data_2ruy_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 2ruy _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 ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.45 143.16 26.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.235 1.014 . . . . 0.0 113.356 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -56.1 148.98 16.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 113.45 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 m -74.98 -17.39 60.55 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.815 1.246 . . . . 0.0 113.522 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -133.36 -9.38 2.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.6 -168.76 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.737 1.153 . . . . 0.0 113.469 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -89.02 0.83 56.34 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.584 1.554 . . . . 0.0 114.412 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.91 153.38 37.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.074 0.95 . . . . 0.0 112.458 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -146.96 152.85 39.32 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.139 0.976 . . . . 0.0 113.223 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -143.89 170.85 15.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.79 1.236 . . . . 0.0 113.391 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 pt -82.69 125.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.753 1.221 . . . . 0.0 110.81 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 p 59.56 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.302 2.241 . . . . 0.0 115.85 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.87 -27.81 68.5 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.104 169.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.88 -28.76 69.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.445 1.498 . . . . 0.0 113.089 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.64 -43.33 12.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.459 0.572 . . . . 0.0 111.369 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.52 -37.57 73.22 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -58.09 -31.79 67.45 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.397 -0.814 . . . . 0.0 113.074 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -66.31 -37.95 86.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.257 1.023 . . . . 0.0 112.09 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.73 -44.85 96.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.552 0.614 . . . . 0.0 111.237 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.97 -37.85 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.52 -0.738 . . . . 0.0 111.855 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.34 -44.57 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.716 1.207 . . . . 0.0 111.724 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -87.93 -34.89 17.96 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.447 1.276 . . . . 0.0 114.447 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -104.96 -13.09 15.9 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -169.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 124.327 1.051 . . . . 0.0 113.558 -176.11 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -117.96 143.62 46.21 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.617 1.167 . . . . 0.0 112.198 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.89 145.9 51.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 112.1 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -85.99 -14.11 45.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.546 1.138 . . . . 0.0 113.255 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -112.96 -22.58 10.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.717 1.207 . . . . 0.0 114.003 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.95 -171.15 3.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.696 1.198 . . . . 0.0 112.952 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -84.24 -0.86 53.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.064 1.346 . . . . 0.0 114.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.94 151.87 44.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.244 1.017 . . . . 0.0 113.46 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -144.52 155.1 43.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.678 172.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -143.54 156.53 44.63 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.091 1.356 . . . . 0.0 111.393 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.05 126.98 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 121.802 -0.561 . . . . 0.0 109.904 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 63.94 145.17 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.793 2.037 . . . . 0.0 114.844 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -63.6 -26.52 68.73 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.972 -1.08 . . . . 0.0 112.628 169.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -67.74 -24.77 65.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.09 1.356 . . . . 0.0 113.098 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -90.61 -40.0 12.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.441 0.696 . . . . 0.0 111.933 169.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -54.7 -35.85 64.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.006 . . . . 0.0 113.21 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -53.83 -32.64 53.55 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -68.3 -35.91 78.54 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.095 0.958 . . . . 0.0 112.558 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -64.0 -43.31 96.06 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.18 0.592 . . . . 0.0 111.306 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.03 -41.48 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.797 -0.564 . . . . 0.0 111.054 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.38 -43.42 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.469 1.108 . . . . 0.0 111.374 173.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -75.8 -41.07 53.85 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -108.55 -20.96 12.92 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 124.57 1.148 . . . . 0.0 112.991 -169.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 145.02 30.79 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.61 1.164 . . . . 0.0 113.315 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.75 152.03 23.8 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.994 1.717 . . . . 0.0 112.982 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.1 p -81.78 -16.1 52.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.226 1.411 . . . . 0.0 113.634 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -129.02 -11.0 4.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -148.72 -172.76 4.17 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.641 1.177 . . . . 0.0 112.63 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.35 1.25 45.99 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.035 1.334 . . . . 0.0 114.368 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.6 150.34 44.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.224 1.01 . . . . 0.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -146.73 154.75 41.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.298 1.039 . . . . 0.0 112.918 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -143.81 165.54 27.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.895 1.278 . . . . 0.0 112.108 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.13 136.37 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.429 0.692 . . . . 0.0 110.647 173.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 61.72 147.82 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 126.898 2.079 . . . . 0.0 115.06 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -68.22 -26.15 65.57 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.098 -1.001 . . . . 0.0 111.886 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -66.27 -44.44 83.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.805 1.242 . . . . 0.0 112.321 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.74 -32.94 66.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.717 -0.614 . . . . 0.0 112.131 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.54 -30.72 63.41 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.529 1.132 . . . . 0.0 113.249 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.72 -36.1 66.84 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.379 -0.826 . . . . 0.0 112.462 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -63.74 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.588 1.155 . . . . 0.0 111.8 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -62.76 -46.07 89.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.365 0.666 . . . . 0.0 111.456 172.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.71 -36.6 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.471 -0.768 . . . . 0.0 111.476 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.16 -44.15 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.787 1.235 . . . . 0.0 111.715 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -92.49 -32.98 14.67 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.18 -10.52 15.4 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -168.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 124.384 1.074 . . . . 0.0 112.237 176.653 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -110.39 144.47 39.12 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.57 1.148 . . . . 0.0 112.459 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.39 147.43 48.5 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.515 1.526 . . . . 0.0 112.369 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.2 m -85.21 -14.79 45.75 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.4 1.08 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.18 -22.27 10.58 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.706 1.202 . . . . 0.0 114.045 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.91 -172.21 3.94 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.623 1.169 . . . . 0.0 113.137 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -83.92 -0.52 51.75 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.094 1.358 . . . . 0.0 114.495 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.28 149.98 44.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.32 1.048 . . . . 0.0 113.284 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.4 p -146.17 152.88 39.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.627 1.171 . . . . 0.0 112.782 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t -146.34 157.11 43.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.566 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 pt -76.88 134.36 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.727 -0.608 . . . . 0.0 111.049 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m 63.27 134.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.44 1.896 . . . . 0.0 114.61 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -61.08 -31.03 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.463 -1.398 . . . . 0.0 113.784 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.78 -22.78 67.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.285 1.034 . . . . 0.0 113.497 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -87.83 -41.48 13.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.973 0.909 . . . . 0.0 111.478 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.34 -40.56 78.27 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.986 0.915 . . . . 0.0 112.439 174.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.91 -33.57 62.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.177 0.991 . . . . 0.0 112.612 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -68.29 -39.69 82.02 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.863 1.265 . . . . 0.0 111.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -61.4 -44.47 97.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.153 0.581 . . . . 0.0 111.297 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.14 -41.01 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.749 -0.594 . . . . 0.0 111.369 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.1 -44.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.627 1.171 . . . . 0.0 111.687 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.75 -34.0 30.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.99 -16.78 13.75 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 124.391 1.076 . . . . 0.0 112.856 -173.18 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -101.48 143.97 30.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.333 1.053 . . . . 0.0 113.513 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.14 147.96 33.16 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -94.0 0.16 55.85 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.183 1.393 . . . . 0.0 113.757 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -119.97 -24.78 5.98 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.729 1.212 . . . . 0.0 114.13 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.88 -170.74 3.48 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.436 1.094 . . . . 0.0 113.362 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -84.63 -2.76 57.93 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.352 1.461 . . . . 0.0 114.653 -175.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.82 151.4 39.02 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.394 1.078 . . . . 0.0 113.105 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.6 p -144.68 153.64 41.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.291 1.036 . . . . 0.0 113.413 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -144.91 178.71 7.83 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.48 1.512 . . . . 0.0 112.644 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.14 112.59 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.286 1.435 . . . . 0.0 111.608 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 p 59.27 161.14 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.657 2.383 . . . . 0.0 115.598 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -58.35 -26.59 63.3 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -67.82 -26.06 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.812 1.245 . . . . 0.0 113.063 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.37 -39.52 8.76 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.913 0.885 . . . . 0.0 111.7 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.15 -39.53 75.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.881 0.872 . . . . 0.0 113.131 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.29 -29.73 64.12 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.42 -0.8 . . . . 0.0 112.794 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -67.52 -31.66 71.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.893 1.277 . . . . 0.0 112.155 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.54 -44.45 67.48 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.97 0.908 . . . . 0.0 111.024 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.39 -41.86 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.482 0.713 . . . . 0.0 111.448 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.52 -45.28 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.856 1.262 . . . . 0.0 111.724 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -83.88 -32.59 25.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -108.04 -24.15 11.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -172.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.796 1.239 . . . . 0.0 112.622 -169.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -94.84 147.09 23.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.209 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.41 151.92 22.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.293 1.837 . . . . 0.0 112.699 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 p -81.83 -12.92 58.28 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.094 1.358 . . . . 0.0 113.637 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -129.55 -12.43 4.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -147.0 -174.0 4.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.397 1.079 . . . . 0.0 112.997 176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -84.9 -0.46 54.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 114.013 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 149.06 38.88 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.016 -1.052 . . . . 0.0 112.726 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -145.2 149.57 35.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.161 0.984 . . . . 0.0 113.007 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -148.14 161.02 42.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.028 1.331 . . . . 0.0 111.902 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.18 132.53 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.378 -0.826 . . . . 0.0 111.165 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 6.5 t 56.29 150.02 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.312 2.645 . . . . 0.0 116.819 -172.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -63.76 -27.21 69.03 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.52 -1.362 . . . . 0.0 112.607 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -64.67 -24.58 67.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.05 0.94 . . . . 0.0 113.14 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 t -89.29 -43.51 10.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.831 0.741 . . . . 0.0 111.301 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.96 -36.99 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.785 0.834 . . . . 0.0 113.111 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -58.77 -31.84 68.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.91 0.884 . . . . 0.0 112.49 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -67.93 -40.4 83.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.447 1.099 . . . . 0.0 111.334 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -60.96 -44.36 97.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.341 0.656 . . . . 0.0 111.405 170.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.54 -37.07 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.597 -0.689 . . . . 0.0 111.861 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.09 -44.67 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.545 1.138 . . . . 0.0 111.79 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -84.96 -34.93 22.33 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -110.02 -12.9 14.48 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 124.721 1.209 . . . . 0.0 112.768 -174.38 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.05 143.05 50.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.806 0.842 . . . . 0.0 112.987 -168.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.76 151.34 47.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.531 1.132 . . . . 0.0 112.591 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -98.94 -12.63 20.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.159 1.384 . . . . 0.0 112.904 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -109.67 -18.58 13.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.978 1.311 . . . . 0.0 113.305 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -148.01 -171.55 3.85 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.498 1.519 . . . . 0.0 111.994 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -88.5 8.41 28.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.079 1.352 . . . . 0.0 114.098 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -64.51 145.8 55.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.948 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 m -126.37 140.41 52.52 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.728 2.011 . . . . 0.0 110.504 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.32 147.15 41.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.294 1.037 . . . . 0.0 112.55 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.19 122.8 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.539 1.136 . . . . 0.0 108.928 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m 65.65 136.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.728 2.011 . . . . 0.0 113.225 -168.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.495 -1.378 . . . . 0.0 114.348 -169.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -61.67 -38.39 87.59 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.062 -1.024 . . . . 0.0 112.704 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.59 -36.77 83.43 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.781 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.8 -42.21 95.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.49 0.716 . . . . 0.0 112.394 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.87 -42.26 93.34 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.347 -0.846 . . . . 0.0 111.431 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.37 -38.8 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.667 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -58.51 -48.22 81.56 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.499 1.045 . . . . 0.0 111.77 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.73 -38.64 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.374 -0.829 . . . . 0.0 111.703 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.97 -41.94 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.394 1.077 . . . . 0.0 111.825 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.59 -32.59 15.45 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -107.5 -12.03 15.37 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -169.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 124.392 1.077 . . . . 0.0 112.257 179.068 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -109.52 141.71 41.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.944 1.298 . . . . 0.0 112.437 -169.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -66.42 151.13 47.81 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.319 1.448 . . . . 0.0 113.424 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -88.43 -12.91 41.78 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.326 1.45 . . . . 0.0 113.4 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -125.61 -13.46 6.49 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.09 -175.58 4.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.848 1.259 . . . . 0.0 112.437 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -82.92 1.85 37.51 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.64 150.08 49.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.397 1.079 . . . . 0.0 113.473 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -147.17 151.74 37.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.558 1.143 . . . . 0.0 112.144 169.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -148.78 156.45 42.36 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tp -67.52 126.79 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.758 1.223 . . . . 0.0 110.495 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 64.78 146.42 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.517 2.327 . . . . 0.0 115.24 -169.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -67.81 -20.27 65.16 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.7 -47.8 82.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.82 0.848 . . . . 0.0 111.014 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.45 -37.21 85.03 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.607 -0.683 . . . . 0.0 111.589 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.85 -42.26 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 112.517 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -59.46 -41.61 90.08 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.425 -0.797 . . . . 0.0 111.254 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -64.6 -37.56 88.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.567 174.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.3 -48.4 81.75 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.367 0.985 . . . . 0.0 111.793 169.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.81 -45.09 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.807 0.73 . . . . 0.0 110.899 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.28 -42.17 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.313 1.045 . . . . 0.0 111.647 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -80.97 -37.06 29.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -109.38 -20.63 12.85 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -107.34 145.89 32.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.826 1.25 . . . . 0.0 112.472 -170.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.38 148.4 23.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.971 1.708 . . . . 0.0 113.293 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -80.16 -10.2 59.75 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.159 1.384 . . . . 0.0 113.578 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.53 -18.0 3.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -145.09 -168.87 3.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.903 1.228 . . . . 0.0 113.591 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.61 -2.48 58.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.538 1.535 . . . . 0.0 114.392 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.64 151.59 37.65 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.114 0.966 . . . . 0.0 112.915 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.9 p -146.29 155.44 42.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.314 1.046 . . . . 0.0 112.96 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -143.61 159.29 42.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.875 1.27 . . . . 0.0 111.795 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 pt -72.4 127.66 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.407 0.683 . . . . 0.0 110.714 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.342 2.1 t 55.39 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.689 2.796 . . . . 0.0 116.445 -168.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -24.81 66.86 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.986 1.314 . . . . 0.0 114.406 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.32 -35.58 76.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.648 0.779 . . . . 0.0 112.092 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m -77.95 -31.36 50.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.992 0.917 . . . . 0.0 112.096 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.55 -33.17 73.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.636 1.574 . . . . 0.0 113.203 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -52.49 -37.53 57.51 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.948 0.795 . . . . 0.0 112.523 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -61.25 -33.42 73.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.417 . . . . 0.0 112.841 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -69.73 -47.34 63.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 110.783 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -62.01 -42.31 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.51 0.724 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.21 -41.56 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.546 1.538 . . . . 0.0 111.992 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -91.04 -31.47 16.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.43 -19.99 13.52 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.249 1.02 . . . . 0.0 113.17 -170.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.51 136.12 53.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.1 0.96 . . . . 0.0 112.413 -169.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.77 125.76 25.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.61 1.564 . . . . 0.0 111.409 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -71.05 -13.91 62.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.239 0.615 . . . . 0.0 112.65 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.95 -35.58 11.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.963 1.305 . . . . 0.0 112.897 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.64 3.42 1.47 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -173.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . 0.252 22.8 t60 60.84 15.2 5.76 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -56.77 135.42 55.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.901 -1.124 . . . . 0.0 110.664 168.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -103.73 141.86 35.35 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.436 1.095 . . . . 0.0 113.037 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -143.79 154.01 42.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.589 1.156 . . . . 0.0 112.001 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 pp -77.07 122.34 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.788 . . . . 0.0 110.418 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p 62.27 156.17 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.347 1.859 . . . . 0.0 115.028 -169.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -67.44 -26.77 66.56 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.034 -1.041 . . . . 0.0 112.644 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -67.08 -36.57 82.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.924 0.89 . . . . 0.0 112.571 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.18 -37.55 57.73 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.445 -0.784 . . . . 0.0 111.83 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.43 -39.12 86.34 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.633 -0.667 . . . . 0.0 112.651 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.58 -32.86 72.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.098 -1.001 . . . . 0.0 112.358 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.8 mtt85 -67.06 -32.04 72.95 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.173 0.989 . . . . 0.0 112.905 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -66.45 -46.63 75.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.117 0.871 . . . . 0.0 110.448 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.67 -44.28 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.822 -0.548 . . . . 0.0 111.399 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.11 -41.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.884 1.274 . . . . 0.0 112.098 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.21 -31.69 20.18 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.94 -19.36 13.65 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.116 0.967 . . . . 0.0 113.078 -173.031 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.65 145.91 25.4 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.541 1.137 . . . . 0.0 111.926 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.94 144.81 27.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.908 1.683 . . . . 0.0 112.496 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 m -74.25 -14.67 60.95 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.292 1.037 . . . . 0.0 113.187 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.85 -10.08 2.71 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.33 -166.64 2.53 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.514 1.125 . . . . 0.0 113.093 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -88.19 -0.64 57.33 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.495 1.518 . . . . 0.0 114.363 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.07 154.14 31.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.163 0.985 . . . . 0.0 112.748 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 t -147.8 143.27 27.37 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.912 1.285 . . . . 0.0 111.656 176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -144.11 158.29 43.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.618 1.167 . . . . 0.0 112.367 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.25 130.21 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.715 0.806 . . . . 0.0 109.239 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.313 13.0 t 53.69 135.4 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.827 2.851 . . . . 0.0 117.205 -172.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -53.84 -28.96 38.91 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.46 1.504 . . . . 0.0 113.515 169.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -64.8 -32.58 74.33 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.002 0.921 . . . . 0.0 112.905 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.65 -34.69 16.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.797 0.839 . . . . 0.0 112.166 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.49 -36.77 76.68 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.115 1.366 . . . . 0.0 113.062 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -51.53 -36.25 44.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.25 1.02 . . . . 0.0 112.7 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -39.6 93.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.388 1.475 . . . . 0.0 112.683 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -63.4 -43.22 98.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.848 0.859 . . . . 0.0 110.876 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.25 -36.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.638 -0.664 . . . . 0.0 111.651 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.82 -46.62 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.532 1.133 . . . . 0.0 111.623 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -86.46 -46.03 10.58 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -87.7 -21.59 25.13 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -171.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.93 1.292 . . . . 0.0 112.245 -178.198 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -113.55 140.16 48.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.02 1.328 . . . . 0.0 112.002 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.99 148.86 46.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.375 1.47 . . . . 0.0 113.392 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -85.21 -13.68 49.22 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.109 1.363 . . . . 0.0 113.353 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -128.2 -10.38 5.28 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.64 -171.54 3.83 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 0.0 112.583 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -84.65 -2.31 57.31 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.071 1.348 . . . . 0.0 113.849 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.29 150.75 42.49 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.543 1.137 . . . . 0.0 113.666 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.3 p -146.47 151.2 37.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.681 1.192 . . . . 0.0 112.654 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -147.49 164.85 32.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.929 1.292 . . . . 0.0 112.485 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.62 129.94 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.254 0.622 . . . . 0.0 111.402 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 p 61.8 147.26 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.18 2.192 . . . . 0.0 115.507 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -21.4 66.68 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.921 -1.112 . . . . 0.0 113.886 171.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -66.75 -38.11 85.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.95 0.9 . . . . 0.0 112.199 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.62 -43.11 69.94 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.764 -0.585 . . . . 0.0 111.094 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.32 -37.31 82.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.581 0.753 . . . . 0.0 112.754 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.38 -42.05 73.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.911 0.884 . . . . 0.0 111.796 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -67.66 -38.28 83.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.351 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -58.18 -47.8 82.29 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.16 0.891 . . . . 0.0 111.301 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.1 -42.33 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.734 -0.604 . . . . 0.0 111.322 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.19 -43.43 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.011 0.925 . . . . 0.0 111.943 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.54 -31.28 26.48 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -110.09 -16.58 13.76 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.196 0.998 . . . . 0.0 113.489 -171.278 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -116.18 141.53 48.02 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.84 1.256 . . . . 0.0 112.089 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.69 149.67 43.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.917 1.287 . . . . 0.0 112.97 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -82.95 -16.51 47.06 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.381 1.472 . . . . 0.0 113.646 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.55 -10.08 4.55 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -148.8 -171.41 3.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.774 1.23 . . . . 0.0 112.42 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -84.04 -1.6 55.1 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.222 1.409 . . . . 0.0 113.496 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.93 151.85 41.52 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.778 -1.201 . . . . 0.0 113.623 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.2 p -144.87 154.44 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.901 1.28 . . . . 0.0 112.283 170.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -143.77 153.95 42.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.605 1.162 . . . . 0.0 112.09 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.99 124.63 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m 64.28 133.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.195 2.198 . . . . 0.0 114.139 -173.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.23 -23.39 64.02 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.25 -24.52 67.91 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.744 1.218 . . . . 0.0 113.354 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.91 -32.75 15.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.778 0.831 . . . . 0.0 112.237 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.73 -42.94 97.82 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.233 -0.917 . . . . 0.0 112.593 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -60.25 -32.44 71.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.275 -0.89 . . . . 0.0 112.383 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -64.41 -40.27 95.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.652 1.181 . . . . 0.0 111.868 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -60.71 -46.31 90.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.37 0.668 . . . . 0.0 111.431 170.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.71 -40.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 121.429 -0.794 . . . . 0.0 111.549 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.07 -39.44 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 0.0 111.96 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -90.0 -32.51 16.74 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -110.25 -16.12 13.82 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -169.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 124.35 1.06 . . . . 0.0 112.93 -174.547 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -121.9 142.38 50.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.342 1.457 . . . . 0.0 112.595 -168.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.92 153.15 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.121 1.368 . . . . 0.0 113.359 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -94.07 -13.04 27.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.075 1.75 . . . . 0.0 113.67 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -122.38 -14.86 7.77 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.37 -175.28 4.65 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 112.398 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -83.21 2.7 34.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.855 1.262 . . . . 0.0 114.36 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.44 145.95 55.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.209 1.004 . . . . 0.0 113.495 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.4 p -150.01 150.04 31.21 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 111.676 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -153.6 168.66 25.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.833 0.853 . . . . 0.0 112.432 174.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.05 138.7 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.43 1.092 . . . . 0.0 109.472 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.323 15.2 t 58.1 139.28 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 129.052 2.941 . . . . 0.0 116.214 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.34 -21.86 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.698 1.199 . . . . 0.0 112.433 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.79 -40.32 92.18 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.018 0.826 . . . . 0.0 112.129 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.44 -40.36 70.44 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.292 0.637 . . . . 0.0 111.206 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -42.91 99.71 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.594 -0.691 . . . . 0.0 112.436 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.09 -42.99 91.78 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.798 0.839 . . . . 0.0 111.08 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -64.15 -37.59 88.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.251 1.02 . . . . 0.0 112.484 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -61.2 -48.29 82.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.75 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.56 -40.52 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.857 0.753 . . . . 0.0 111.078 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.11 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.998 0.919 . . . . 0.0 111.047 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -75.45 -35.27 60.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -172.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -108.27 -24.62 11.42 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.536 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -115.27 142.01 47.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.662 1.185 . . . . 0.0 112.218 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.75 150.25 41.82 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.916 1.287 . . . . 0.0 112.903 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.3 p -86.8 -12.44 48.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.431 1.492 . . . . 0.0 113.799 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -127.01 -13.98 5.62 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -146.05 -172.89 4.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.352 1.061 . . . . 0.0 112.998 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -82.59 -2.87 55.05 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.214 1.405 . . . . 0.0 113.564 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.55 147.0 50.39 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.914 -1.116 . . . . 0.0 113.391 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.3 p -148.32 152.62 37.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.402 1.081 . . . . 0.0 112.614 169.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -148.13 163.05 38.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.503 1.121 . . . . 0.0 113.312 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.2 mt -77.45 135.33 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.146 0.978 . . . . 0.0 109.004 171.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.8 m 64.69 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.214 2.206 . . . . 0.0 114.437 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -63.56 -27.01 68.96 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.689 -1.257 . . . . 0.0 113.788 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.44 -22.82 66.8 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.24 -41.68 21.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.93 0.892 . . . . 0.0 111.153 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.31 -38.05 76.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.161 0.984 . . . . 0.0 112.057 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -49.23 -46.92 46.6 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.588 1.155 . . . . 0.0 111.753 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.11 -34.27 77.26 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.145 0.978 . . . . 0.0 112.854 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -60.47 -41.84 95.01 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.07 0.85 . . . . 0.0 111.245 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.98 -38.66 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.408 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mm -62.54 -45.72 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.695 1.134 . . . . 0.0 111.12 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -74.25 -40.3 62.47 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.13 -19.65 12.96 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.794 1.238 . . . . 0.0 112.562 -169.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -99.66 147.07 25.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.44 1.096 . . . . 0.0 112.87 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.78 147.56 49.49 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.722 1.609 . . . . 0.0 112.347 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -82.59 -11.75 58.2 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.61 1.164 . . . . 0.0 113.116 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -127.45 -13.02 5.53 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.03 -171.11 3.82 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.017 1.327 . . . . 0.0 112.51 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -84.87 -1.14 56.15 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.981 1.312 . . . . 0.0 113.758 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -62.36 150.09 40.51 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.861 -1.149 . . . . 0.0 113.086 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -146.99 157.22 43.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.428 1.091 . . . . 0.0 113.241 174.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -145.1 154.92 42.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.077 1.351 . . . . 0.0 114.409 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.75 129.9 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 167.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 64.55 154.16 0.06 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.482 1.913 . . . . 0.0 113.855 -167.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.74 -24.33 60.95 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.394 -0.817 . . . . 0.0 112.85 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -62.41 -42.5 99.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.846 0.858 . . . . 0.0 112.01 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -69.64 -25.86 64.13 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.782 0.833 . . . . 0.0 112.83 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -77.24 -41.52 40.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.246 1.018 . . . . 0.0 112.877 172.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.34 -43.5 92.76 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.284 -0.885 . . . . 0.0 112.19 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -64.01 -32.99 74.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.792 0.723 . . . . 0.0 112.946 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -64.48 -48.05 76.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.011 0.823 . . . . 0.0 111.619 170.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -62.1 -38.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.529 -0.732 . . . . 0.0 111.333 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.07 -52.43 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.886 0.874 . . . . 0.0 110.921 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -75.65 -31.97 60.03 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -172.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -107.35 -23.29 12.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -172.552 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -124.43 141.51 52.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.982 1.313 . . . . 0.0 111.82 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -66.9 153.23 44.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 113.318 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -90.52 -23.03 21.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.701 1.601 . . . . 0.0 112.708 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -115.76 -12.62 11.47 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.62 -172.13 3.96 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.978 1.311 . . . . 0.0 112.29 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -87.1 2.77 48.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 114.121 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.04 148.14 50.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.359 1.064 . . . . 0.0 113.472 -178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -146.22 151.76 38.11 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 112.337 170.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.8 p -149.83 152.69 35.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.826 1.25 . . . . 0.0 112.347 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.72 137.14 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.936 -0.478 . . . . 0.0 111.09 169.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m 63.26 130.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.26 2.224 . . . . 0.0 114.231 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -64.44 -19.27 65.44 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.19 -35.3 80.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 0.0 112.346 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -66.14 -40.84 90.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.457 0.703 . . . . 0.0 110.974 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.41 -40.02 89.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.26 0.624 . . . . 0.0 111.99 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -59.87 -43.17 94.87 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 111.315 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -65.44 -30.24 71.01 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -67.17 -48.01 69.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.537 1.062 . . . . 0.0 111.093 168.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.2 t -64.94 -35.03 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.566 1.146 . . . . 0.0 112.033 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.31 -47.74 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.833 1.253 . . . . 0.0 111.692 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -88.9 -42.55 11.77 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.64 -22.74 18.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.932 1.293 . . . . 0.0 113.744 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 . . . . . 0 CA--C 1.546 0.8 0 C-N-CA 125.109 1.364 . . . . 0.0 112.927 178.383 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -108.8 141.04 41.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.181 1.392 . . . . 0.0 112.107 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.42 145.9 55.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.631 1.172 . . . . 0.0 112.557 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.4 m -82.08 -12.7 58.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.768 1.227 . . . . 0.0 113.244 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.61 -12.82 4.33 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -169.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.69 -174.13 4.4 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.486 1.114 . . . . 0.0 112.929 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -78.3 -6.15 54.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 114.116 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.12 141.55 58.08 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.079 -1.013 . . . . 0.0 113.497 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -153.03 147.93 26.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.744 1.218 . . . . 0.0 111.876 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -154.27 172.11 18.17 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.992 0.917 . . . . 0.0 112.689 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 pt -74.62 149.07 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.24 1.016 . . . . 0.0 111.133 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 60.54 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.378 2.271 . . . . 0.0 115.102 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -60.44 -23.91 64.79 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -65.51 -34.83 79.19 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.987 0.812 . . . . 0.0 112.336 172.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.7 m -69.74 -37.84 76.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.314 -0.866 . . . . 0.0 111.308 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.65 -40.18 96.19 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.702 -0.623 . . . . 0.0 112.143 171.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.77 -42.78 94.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.29 -0.881 . . . . 0.0 111.489 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -62.99 -39.12 93.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.912 0.885 . . . . 0.0 112.412 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -58.86 -47.27 85.5 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.054 0.843 . . . . 0.0 111.672 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.89 -37.95 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.903 0.774 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.47 -43.6 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.21 1.004 . . . . 0.0 111.674 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.66 -37.11 14.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -105.38 -10.05 17.21 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -169.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 124.137 0.975 . . . . 0.0 111.903 176.825 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -121.57 140.5 52.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.091 1.356 . . . . 0.0 111.997 -168.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.56 149.61 50.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.674 1.19 . . . . 0.0 113.283 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -91.08 -12.1 36.64 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.292 1.437 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -125.36 -12.0 6.83 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.95 -170.81 3.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.989 1.316 . . . . 0.0 112.332 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -84.86 -2.09 57.34 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.179 1.392 . . . . 0.0 113.951 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -62.97 148.03 48.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.337 1.055 . . . . 0.0 113.694 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.3 p -147.67 153.59 39.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.05 1.34 . . . . 0.0 111.961 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -149.98 159.56 44.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.159 0.984 . . . . 0.0 112.248 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 pt -74.8 133.59 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.376 0.67 . . . . 0.0 110.929 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 65.26 134.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.588 1.955 . . . . 0.0 114.438 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.1 -24.16 67.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.61 -32.8 74.36 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.285 0.948 . . . . 0.0 112.672 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.69 -28.36 63.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.937 0.895 . . . . 0.0 111.888 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.46 -42.59 52.86 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.887 0.875 . . . . 0.0 111.767 168.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.37 -44.56 84.52 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.921 0.888 . . . . 0.0 111.959 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.05 -34.35 78.21 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.44 -47.54 83.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.108 0.867 . . . . 0.0 111.309 170.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.24 -41.23 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.647 -0.658 . . . . 0.0 111.232 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -62.66 -43.28 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.112 0.965 . . . . 0.0 111.979 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -85.24 -30.73 23.59 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -108.78 -18.63 13.66 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 . . . . . 0 CA--C 1.543 0.705 0 C-N-CA 124.497 1.119 . . . . 0.0 113.268 -170.618 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -119.79 143.96 47.56 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.256 1.022 . . . . 0.0 112.792 -169.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.93 151.13 43.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.865 1.266 . . . . 0.0 112.79 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -87.85 -12.63 44.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.621 1.568 . . . . 0.0 113.802 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -127.52 -14.7 5.2 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.63 -174.3 4.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.284 1.034 . . . . 0.0 112.895 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -82.52 -1.29 50.09 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.004 1.321 . . . . 0.0 113.479 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.28 146.88 49.81 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.868 -1.145 . . . . 0.0 113.249 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -144.63 156.57 44.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.94 1.296 . . . . 0.0 112.448 171.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -143.33 162.02 36.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.087 1.355 . . . . 0.0 111.807 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 tt -82.3 -1.52 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.281 1.032 . . . . 0.0 113.572 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -141.94 151.81 42.93 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.318 1.047 . . . . 0.0 111.976 169.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -66.17 -24.94 66.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.379 0.672 . . . . 0.0 112.454 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.39 -44.01 79.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.834 1.254 . . . . 0.0 111.947 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.74 -38.56 73.55 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.411 0.684 . . . . 0.0 112.305 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.3 -38.34 83.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.592 -0.692 . . . . 0.0 112.335 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.5 -42.11 86.86 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.342 -0.849 . . . . 0.0 111.772 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.5 mtm-85 -65.93 -34.1 77.34 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.999 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -62.17 -47.57 83.92 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.62 1.1 . . . . 0.0 111.221 169.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.01 -39.42 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.48 -0.762 . . . . 0.0 111.809 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.35 -43.87 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.058 0.943 . . . . 0.0 111.525 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.32 -35.39 41.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -108.02 -24.36 11.63 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -169.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -147.57 164.79 32.34 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.325 1.45 . . . . 0.0 112.455 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -143.96 160.74 40.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.528 1.531 . . . . 0.0 112.232 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.7 -172.57 45.58 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.424 1.011 . . . . 0.0 113.668 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -76.09 163.23 27.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.11 1.364 . . . . 0.0 113.387 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -73.65 168.59 19.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.325 1.45 . . . . 0.0 113.386 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.06 158.49 33.94 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.467 1.032 . . . . 0.0 114.32 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -63.68 133.76 54.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -172.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.07 153.93 49.29 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.008 2.123 . . . . 0.0 109.077 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -86.02 125.46 33.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.042 0.937 . . . . 0.0 109.516 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.45 143.16 26.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.235 1.014 . . . . 0.0 113.356 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -56.1 148.98 16.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 113.45 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 m -74.98 -17.39 60.55 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.815 1.246 . . . . 0.0 113.522 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -133.36 -9.38 2.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.6 -168.76 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.737 1.153 . . . . 0.0 113.469 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -89.02 0.83 56.34 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.584 1.554 . . . . 0.0 114.412 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.91 153.38 37.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.074 0.95 . . . . 0.0 112.458 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -146.96 152.85 39.32 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.139 0.976 . . . . 0.0 113.223 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -143.89 170.85 15.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.79 1.236 . . . . 0.0 113.391 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 pt -82.69 125.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.753 1.221 . . . . 0.0 110.81 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 p 59.56 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.302 2.241 . . . . 0.0 115.85 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.87 -27.81 68.5 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.104 169.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.88 -28.76 69.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.445 1.498 . . . . 0.0 113.089 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.64 -43.33 12.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.459 0.572 . . . . 0.0 111.369 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.52 -37.57 73.22 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -58.09 -31.79 67.45 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.397 -0.814 . . . . 0.0 113.074 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -66.31 -37.95 86.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.257 1.023 . . . . 0.0 112.09 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.73 -44.85 96.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.552 0.614 . . . . 0.0 111.237 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.97 -37.85 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.52 -0.738 . . . . 0.0 111.855 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.34 -44.57 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.716 1.207 . . . . 0.0 111.724 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -87.93 -34.89 17.96 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.447 1.276 . . . . 0.0 114.447 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -104.96 -13.09 15.9 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -169.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -133.36 166.17 23.13 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.327 1.051 . . . . 0.0 113.558 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.0 m -76.88 96.79 4.4 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.415 1.086 . . . . 0.0 109.801 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.38 47.87 1.32 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.048 1.339 . . . . 0.0 112.467 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.64 167.73 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.447 1.899 . . . . 0.0 112.45 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.961 1.704 . . . . 0.0 111.607 178.294 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -81.39 -23.46 37.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m 54.42 24.09 4.96 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.966 1.706 . . . . 0.0 114.53 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.55 123.09 32.24 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.401 1.001 . . . . 0.0 112.886 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 55.85 19.65 3.65 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.924 1.69 . . . . 0.0 115.063 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -83.55 175.82 9.49 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.81 1.244 . . . . 0.0 112.19 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 35.08 0.41 Allowed Glycine 0 CA--C 1.539 1.532 0 C-N-CA 126.829 2.157 . . . . 0.0 115.449 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -83.71 162.75 20.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.647 1.579 . . . . 0.0 111.017 173.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.27 139.82 39.91 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.462 -0.774 . . . . 0.0 111.228 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.07 145.92 48.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.143 1.777 . . . . 0.0 109.111 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -117.96 143.62 46.21 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.617 1.167 . . . . 0.0 112.198 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.89 145.9 51.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 112.1 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -85.99 -14.11 45.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.546 1.138 . . . . 0.0 113.255 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -112.96 -22.58 10.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.717 1.207 . . . . 0.0 114.003 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.95 -171.15 3.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.696 1.198 . . . . 0.0 112.952 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -84.24 -0.86 53.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.064 1.346 . . . . 0.0 114.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.94 151.87 44.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.244 1.017 . . . . 0.0 113.46 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -144.52 155.1 43.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.678 172.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -143.54 156.53 44.63 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.091 1.356 . . . . 0.0 111.393 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.05 126.98 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 121.802 -0.561 . . . . 0.0 109.904 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 63.94 145.17 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.793 2.037 . . . . 0.0 114.844 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -63.6 -26.52 68.73 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.972 -1.08 . . . . 0.0 112.628 169.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -67.74 -24.77 65.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.09 1.356 . . . . 0.0 113.098 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -90.61 -40.0 12.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.441 0.696 . . . . 0.0 111.933 169.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -54.7 -35.85 64.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.006 . . . . 0.0 113.21 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -53.83 -32.64 53.55 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -68.3 -35.91 78.54 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.095 0.958 . . . . 0.0 112.558 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -64.0 -43.31 96.06 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.18 0.592 . . . . 0.0 111.306 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.03 -41.48 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.797 -0.564 . . . . 0.0 111.054 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.38 -43.42 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.469 1.108 . . . . 0.0 111.374 173.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -75.8 -41.07 53.85 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -108.55 -20.96 12.92 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -134.12 32.75 3.42 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.57 1.148 . . . . 0.0 112.991 -169.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.9 t -57.49 140.42 50.7 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.188 0.995 . . . . 0.0 113.225 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -77.3 -10.06 59.2 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.895 1.278 . . . . 0.0 113.228 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.48 -27.37 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.594 1.158 . . . . 0.0 112.387 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.334 1.853 . . . . 0.0 112.603 -176.646 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -135.16 156.0 49.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.442 1.497 . . . . 0.0 112.175 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -65.93 150.76 48.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.547 1.139 . . . . 0.0 113.038 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 -179.73 47.9 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.69 1.138 . . . . 0.0 113.412 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -67.2 147.63 52.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.589 1.155 . . . . 0.0 113.14 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -76.05 -9.92 59.0 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.63 -176.79 42.36 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.855 1.693 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -131.95 147.13 52.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.856 1.262 . . . . 0.0 112.111 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.52 145.17 40.74 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.252 1.421 . . . . 0.0 111.915 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -119.59 133.12 55.8 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.645 1.978 . . . . 0.0 108.749 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 145.02 30.79 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.61 1.164 . . . . 0.0 113.315 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.75 152.03 23.8 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.994 1.717 . . . . 0.0 112.982 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.1 p -81.78 -16.1 52.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.226 1.411 . . . . 0.0 113.634 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -129.02 -11.0 4.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -148.72 -172.76 4.17 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.641 1.177 . . . . 0.0 112.63 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.35 1.25 45.99 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.035 1.334 . . . . 0.0 114.368 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.6 150.34 44.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.224 1.01 . . . . 0.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -146.73 154.75 41.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.298 1.039 . . . . 0.0 112.918 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -143.81 165.54 27.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.895 1.278 . . . . 0.0 112.108 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.13 136.37 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.429 0.692 . . . . 0.0 110.647 173.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 61.72 147.82 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 126.898 2.079 . . . . 0.0 115.06 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -68.22 -26.15 65.57 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.098 -1.001 . . . . 0.0 111.886 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -66.27 -44.44 83.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.805 1.242 . . . . 0.0 112.321 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.74 -32.94 66.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.717 -0.614 . . . . 0.0 112.131 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.54 -30.72 63.41 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.529 1.132 . . . . 0.0 113.249 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.72 -36.1 66.84 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.379 -0.826 . . . . 0.0 112.462 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -63.74 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.588 1.155 . . . . 0.0 111.8 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -62.76 -46.07 89.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.365 0.666 . . . . 0.0 111.456 172.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.71 -36.6 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.471 -0.768 . . . . 0.0 111.476 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.16 -44.15 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.787 1.235 . . . . 0.0 111.715 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -92.49 -32.98 14.67 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.18 -10.52 15.4 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -168.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -126.33 147.44 49.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.384 1.074 . . . . 0.0 112.237 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 p -112.74 6.5 18.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.139 1.775 . . . . 0.0 113.477 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -139.22 163.94 31.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.7 2.0 . . . . 0.0 110.907 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.16 151.4 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.896 1.679 . . . . 0.0 111.507 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.18 1.792 . . . . 0.0 111.886 -179.216 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -148.25 148.58 30.64 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.032 1.333 . . . . 0.0 111.812 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -83.94 -5.35 59.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.928 1.291 . . . . 0.0 113.481 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.19 80.82 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.492 1.044 . . . . 0.0 114.93 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -149.92 161.57 42.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.26 1.824 . . . . 0.0 110.857 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -143.69 163.25 33.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.172 1.389 . . . . 0.0 113.594 -173.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.55 161.83 33.96 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 126.097 1.808 . . . . 0.0 111.65 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -136.62 151.61 49.52 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -169.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.51 143.59 36.45 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.819 1.247 . . . . 0.0 110.813 169.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.01 141.67 51.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.742 1.617 . . . . 0.0 109.141 171.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -110.39 144.47 39.12 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.57 1.148 . . . . 0.0 112.459 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.39 147.43 48.5 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.515 1.526 . . . . 0.0 112.369 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.2 m -85.21 -14.79 45.75 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.4 1.08 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.18 -22.27 10.58 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.706 1.202 . . . . 0.0 114.045 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.91 -172.21 3.94 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.623 1.169 . . . . 0.0 113.137 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -83.92 -0.52 51.75 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.094 1.358 . . . . 0.0 114.495 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.28 149.98 44.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.32 1.048 . . . . 0.0 113.284 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.4 p -146.17 152.88 39.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.627 1.171 . . . . 0.0 112.782 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t -146.34 157.11 43.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.566 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 pt -76.88 134.36 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.727 -0.608 . . . . 0.0 111.049 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m 63.27 134.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.44 1.896 . . . . 0.0 114.61 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -61.08 -31.03 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.463 -1.398 . . . . 0.0 113.784 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.78 -22.78 67.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.285 1.034 . . . . 0.0 113.497 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -87.83 -41.48 13.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.973 0.909 . . . . 0.0 111.478 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.34 -40.56 78.27 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.986 0.915 . . . . 0.0 112.439 174.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.91 -33.57 62.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.177 0.991 . . . . 0.0 112.612 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -68.29 -39.69 82.02 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.863 1.265 . . . . 0.0 111.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -61.4 -44.47 97.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.153 0.581 . . . . 0.0 111.297 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.14 -41.01 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.749 -0.594 . . . . 0.0 111.369 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.1 -44.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.627 1.171 . . . . 0.0 111.687 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.75 -34.0 30.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.99 -16.78 13.75 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -134.26 166.47 22.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.391 1.076 . . . . 0.0 112.856 -173.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 t -154.9 155.29 34.06 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.79 1.236 . . . . 0.0 111.745 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -127.35 10.88 6.84 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.878 1.671 . . . . 0.0 112.228 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.3 pt -133.75 160.24 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.946 1.698 . . . . 0.0 112.546 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.63 1.572 . . . . 0.0 111.753 177.715 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.159 -0.376 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -146.69 163.41 36.01 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.4 1.48 . . . . 0.0 112.41 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -148.45 164.81 33.04 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.356 1.462 . . . . 0.0 112.596 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.12 -163.47 32.9 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.921 1.248 . . . . 0.0 112.9 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -53.15 133.92 38.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.557 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p 47.04 19.51 0.1 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.162 2.185 . . . . 0.0 116.202 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.84 9.77 66.58 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.086 1.327 . . . . 0.0 115.43 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -147.36 119.4 8.22 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.289 1.545 . . . . 0.0 112.94 -174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.45 143.88 27.73 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.49 1.116 . . . . 0.0 109.675 169.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -103.28 122.56 45.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.008 1.323 . . . . 0.0 108.746 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -101.48 143.97 30.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.333 1.053 . . . . 0.0 113.513 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.14 147.96 33.16 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -94.0 0.16 55.85 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.183 1.393 . . . . 0.0 113.757 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -119.97 -24.78 5.98 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.729 1.212 . . . . 0.0 114.13 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.88 -170.74 3.48 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.436 1.094 . . . . 0.0 113.362 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -84.63 -2.76 57.93 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.352 1.461 . . . . 0.0 114.653 -175.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.82 151.4 39.02 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.394 1.078 . . . . 0.0 113.105 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.6 p -144.68 153.64 41.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.291 1.036 . . . . 0.0 113.413 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -144.91 178.71 7.83 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.48 1.512 . . . . 0.0 112.644 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.14 112.59 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.286 1.435 . . . . 0.0 111.608 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 p 59.27 161.14 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.657 2.383 . . . . 0.0 115.598 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -58.35 -26.59 63.3 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -67.82 -26.06 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.812 1.245 . . . . 0.0 113.063 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.37 -39.52 8.76 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.913 0.885 . . . . 0.0 111.7 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.15 -39.53 75.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.881 0.872 . . . . 0.0 113.131 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.29 -29.73 64.12 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.42 -0.8 . . . . 0.0 112.794 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -67.52 -31.66 71.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.893 1.277 . . . . 0.0 112.155 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.54 -44.45 67.48 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.97 0.908 . . . . 0.0 111.024 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.39 -41.86 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.482 0.713 . . . . 0.0 111.448 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.52 -45.28 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.856 1.262 . . . . 0.0 111.724 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -83.88 -32.59 25.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -108.04 -24.15 11.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -172.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -132.78 37.05 3.48 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.796 1.239 . . . . 0.0 112.622 -169.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -62.0 158.29 16.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.64 1.176 . . . . 0.0 112.765 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -66.51 -0.54 2.83 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.81 1.644 . . . . 0.0 115.024 -172.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 tt -71.33 -19.0 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.443 1.497 . . . . 0.0 113.671 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.227 1.411 . . . . 0.0 113.947 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -64.53 -16.98 63.48 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -79.31 -9.26 59.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.564 1.546 . . . . 0.0 114.308 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.14 -166.74 32.11 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.065 1.317 . . . . 0.0 114.921 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 58.44 28.62 17.14 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.019 1.728 . . . . 0.0 115.466 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -60.9 128.24 35.52 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.939 -1.1 . . . . 0.0 111.647 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 8.5 84.29 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.587 1.089 . . . . 0.0 115.221 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.479 ' CG ' ' H ' ' A' ' 9' ' ' LEU . 60.4 t60 -84.18 -174.9 5.54 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.048 1.339 . . . . 0.0 112.109 177.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 3.7 mm? -62.34 128.02 34.08 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.385 1.074 . . . . 0.0 109.254 168.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.78 140.42 43.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.34 1.456 . . . . 0.0 110.41 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -94.84 147.09 23.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.209 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.41 151.92 22.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.293 1.837 . . . . 0.0 112.699 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 p -81.83 -12.92 58.28 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.094 1.358 . . . . 0.0 113.637 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -129.55 -12.43 4.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -147.0 -174.0 4.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.397 1.079 . . . . 0.0 112.997 176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -84.9 -0.46 54.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 114.013 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 149.06 38.88 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.016 -1.052 . . . . 0.0 112.726 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -145.2 149.57 35.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.161 0.984 . . . . 0.0 113.007 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -148.14 161.02 42.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.028 1.331 . . . . 0.0 111.902 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.18 132.53 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.378 -0.826 . . . . 0.0 111.165 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 6.5 t 56.29 150.02 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.312 2.645 . . . . 0.0 116.819 -172.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -63.76 -27.21 69.03 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.52 -1.362 . . . . 0.0 112.607 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -64.67 -24.58 67.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.05 0.94 . . . . 0.0 113.14 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 t -89.29 -43.51 10.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.831 0.741 . . . . 0.0 111.301 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.96 -36.99 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.785 0.834 . . . . 0.0 113.111 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -58.77 -31.84 68.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.91 0.884 . . . . 0.0 112.49 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -67.93 -40.4 83.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.447 1.099 . . . . 0.0 111.334 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -60.96 -44.36 97.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.341 0.656 . . . . 0.0 111.405 170.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.54 -37.07 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.597 -0.689 . . . . 0.0 111.861 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.09 -44.67 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.545 1.138 . . . . 0.0 111.79 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -84.96 -34.93 22.33 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -110.02 -12.9 14.48 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.71 173.45 11.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.721 1.209 . . . . 0.0 112.768 -174.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 m -74.87 35.33 0.1 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.319 1.847 . . . . 0.0 115.193 -170.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.95 -30.04 71.01 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.199 1.4 . . . . 0.0 111.812 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 pt -124.49 153.38 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.615 1.966 . . . . 0.0 110.761 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.255 1.384 0 C-N-CA 126.392 1.877 . . . . 0.0 111.613 -177.666 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -125.67 153.44 43.84 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.636 1.575 . . . . 0.0 112.337 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -66.91 146.49 54.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.269 1.028 . . . . 0.0 113.509 -176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.12 168.37 31.04 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.331 1.443 . . . . 0.0 112.89 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -80.73 -33.08 35.48 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -135.47 -6.35 2.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.389 1.476 . . . . 0.0 114.586 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.39 -169.76 41.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.916 1.722 . . . . 0.0 111.659 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -72.29 138.92 47.73 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 122.005 -0.703 . . . . 0.0 112.525 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.87 143.9 27.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.803 1.241 . . . . 0.0 111.106 172.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -134.26 154.21 51.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.685 1.994 . . . . 0.0 110.249 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.05 143.05 50.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.806 0.842 . . . . 0.0 112.987 -168.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.76 151.34 47.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.531 1.132 . . . . 0.0 112.591 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -98.94 -12.63 20.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.159 1.384 . . . . 0.0 112.904 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -109.67 -18.58 13.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.978 1.311 . . . . 0.0 113.305 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -148.01 -171.55 3.85 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.498 1.519 . . . . 0.0 111.994 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -88.5 8.41 28.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.079 1.352 . . . . 0.0 114.098 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -64.51 145.8 55.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.948 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 m -126.37 140.41 52.52 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.728 2.011 . . . . 0.0 110.504 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.32 147.15 41.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.294 1.037 . . . . 0.0 112.55 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.19 122.8 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.539 1.136 . . . . 0.0 108.928 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m 65.65 136.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.728 2.011 . . . . 0.0 113.225 -168.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.495 -1.378 . . . . 0.0 114.348 -169.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -61.67 -38.39 87.59 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.062 -1.024 . . . . 0.0 112.704 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.59 -36.77 83.43 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.781 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.8 -42.21 95.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.49 0.716 . . . . 0.0 112.394 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.87 -42.26 93.34 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.347 -0.846 . . . . 0.0 111.431 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.37 -38.8 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.667 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -58.51 -48.22 81.56 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.499 1.045 . . . . 0.0 111.77 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.73 -38.64 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.374 -0.829 . . . . 0.0 111.703 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.97 -41.94 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.394 1.077 . . . . 0.0 111.825 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.59 -32.59 15.45 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -107.5 -12.03 15.37 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -169.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -127.69 149.65 50.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.392 1.077 . . . . 0.0 112.257 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -156.04 -46.22 0.08 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.682 1.193 . . . . 0.0 112.077 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -137.34 146.25 44.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.623 1.569 . . . . 0.0 110.345 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -131.11 140.5 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.99 1.716 . . . . 0.0 109.905 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.616 1.566 . . . . 0.0 114.556 -177.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -66.51 151.83 46.44 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.541 1.136 . . . . 0.0 113.149 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -148.7 162.93 38.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.159 1.384 . . . . 0.0 112.015 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.65 -178.24 52.17 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.122 1.344 . . . . 0.0 114.771 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t 61.22 169.07 0.1 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.705 2.002 . . . . 0.0 114.849 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -156.47 150.54 25.16 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.481 1.512 . . . . 0.0 111.838 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.44 -172.01 39.36 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.99 1.281 . . . . 0.0 114.562 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -92.0 121.87 33.98 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.89 0.876 . . . . 0.0 111.907 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.77 129.62 36.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.857 0.863 . . . . 0.0 110.464 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -102.21 139.7 37.47 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.851 1.66 . . . . 0.0 109.675 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -109.52 141.71 41.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.944 1.298 . . . . 0.0 112.437 -169.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -66.42 151.13 47.81 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.319 1.448 . . . . 0.0 113.424 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -88.43 -12.91 41.78 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.326 1.45 . . . . 0.0 113.4 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -125.61 -13.46 6.49 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.09 -175.58 4.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.848 1.259 . . . . 0.0 112.437 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -82.92 1.85 37.51 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.64 150.08 49.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.397 1.079 . . . . 0.0 113.473 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -147.17 151.74 37.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.558 1.143 . . . . 0.0 112.144 169.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -148.78 156.45 42.36 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tp -67.52 126.79 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.758 1.223 . . . . 0.0 110.495 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 64.78 146.42 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.517 2.327 . . . . 0.0 115.24 -169.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -67.81 -20.27 65.16 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.7 -47.8 82.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.82 0.848 . . . . 0.0 111.014 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.45 -37.21 85.03 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.607 -0.683 . . . . 0.0 111.589 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.85 -42.26 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 112.517 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -59.46 -41.61 90.08 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.425 -0.797 . . . . 0.0 111.254 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -64.6 -37.56 88.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.567 174.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.3 -48.4 81.75 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.367 0.985 . . . . 0.0 111.793 169.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.81 -45.09 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.807 0.73 . . . . 0.0 110.899 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.28 -42.17 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.313 1.045 . . . . 0.0 111.647 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -80.97 -37.06 29.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -109.38 -20.63 12.85 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -123.53 -25.58 4.35 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m 60.64 178.67 0.1 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.625 1.97 . . . . 0.0 114.8 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.33 136.37 53.31 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.114 -0.991 . . . . 0.0 111.225 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 tt -86.87 142.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.568 1.147 . . . . 0.0 112.305 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.655 1.582 . . . . 0.0 112.057 -178.534 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -73.74 -19.95 60.65 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 m -136.81 151.96 49.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.711 1.604 . . . . 0.0 111.766 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.08 -2.92 87.9 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -62.64 144.52 56.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.17 1.388 . . . . 0.0 113.386 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -78.23 157.61 29.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.679 1.192 . . . . 0.0 112.775 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.53 -141.92 46.31 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.867 0.746 . . . . 0.0 113.132 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -141.71 143.67 33.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.942 1.297 . . . . 0.0 110.479 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.54 139.55 30.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.98 0.912 . . . . 0.0 111.657 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.63 141.73 51.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.914 1.686 . . . . 0.0 109.769 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -107.34 145.89 32.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.826 1.25 . . . . 0.0 112.472 -170.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.38 148.4 23.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.971 1.708 . . . . 0.0 113.293 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -80.16 -10.2 59.75 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.159 1.384 . . . . 0.0 113.578 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.53 -18.0 3.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -145.09 -168.87 3.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.903 1.228 . . . . 0.0 113.591 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.61 -2.48 58.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.538 1.535 . . . . 0.0 114.392 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.64 151.59 37.65 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.114 0.966 . . . . 0.0 112.915 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.9 p -146.29 155.44 42.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.314 1.046 . . . . 0.0 112.96 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -143.61 159.29 42.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.875 1.27 . . . . 0.0 111.795 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 pt -72.4 127.66 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.407 0.683 . . . . 0.0 110.714 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.342 2.1 t 55.39 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.689 2.796 . . . . 0.0 116.445 -168.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -24.81 66.86 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.986 1.314 . . . . 0.0 114.406 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.32 -35.58 76.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.648 0.779 . . . . 0.0 112.092 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m -77.95 -31.36 50.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.992 0.917 . . . . 0.0 112.096 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.55 -33.17 73.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.636 1.574 . . . . 0.0 113.203 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -52.49 -37.53 57.51 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.948 0.795 . . . . 0.0 112.523 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -61.25 -33.42 73.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.417 . . . . 0.0 112.841 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -69.73 -47.34 63.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 110.783 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -62.01 -42.31 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.51 0.724 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.21 -41.56 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.546 1.538 . . . . 0.0 111.992 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -91.04 -31.47 16.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.43 -19.99 13.52 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -132.48 168.18 18.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.249 1.02 . . . . 0.0 113.17 -170.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 m -70.58 149.37 47.17 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 112.99 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -78.11 -29.5 48.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.556 0.742 . . . . 0.0 112.888 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 tp -75.55 144.63 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.011 1.325 . . . . 0.0 111.804 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.457 1.903 . . . . 0.0 113.316 -179.61 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -63.66 -21.5 66.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 p -71.93 -28.42 63.46 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.766 1.226 . . . . 0.0 113.344 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.74 -30.98 8.06 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.044 1.307 . . . . 0.0 114.103 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -121.7 99.88 6.7 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.239 1.416 . . . . 0.0 111.644 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -72.26 148.85 45.06 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.321 1.048 . . . . 0.0 112.884 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.81 164.59 54.82 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.237 0.922 . . . . 0.0 114.318 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.273 18.1 p-80 49.47 28.26 2.37 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 116.916 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.1 mt -81.32 138.75 35.66 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.429 1.092 . . . . 0.0 111.677 170.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -122.44 149.01 44.43 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.719 2.008 . . . . 0.0 109.239 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.51 136.12 53.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.1 0.96 . . . . 0.0 112.413 -169.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.77 125.76 25.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.61 1.564 . . . . 0.0 111.409 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -71.05 -13.91 62.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.239 0.615 . . . . 0.0 112.65 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.95 -35.58 11.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.963 1.305 . . . . 0.0 112.897 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.64 3.42 1.47 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -173.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . 0.252 22.8 t60 60.84 15.2 5.76 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -56.77 135.42 55.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.901 -1.124 . . . . 0.0 110.664 168.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -103.73 141.86 35.35 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.436 1.095 . . . . 0.0 113.037 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -143.79 154.01 42.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.589 1.156 . . . . 0.0 112.001 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 pp -77.07 122.34 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.788 . . . . 0.0 110.418 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p 62.27 156.17 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.347 1.859 . . . . 0.0 115.028 -169.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -67.44 -26.77 66.56 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.034 -1.041 . . . . 0.0 112.644 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -67.08 -36.57 82.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.924 0.89 . . . . 0.0 112.571 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.18 -37.55 57.73 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.445 -0.784 . . . . 0.0 111.83 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.43 -39.12 86.34 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.633 -0.667 . . . . 0.0 112.651 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.58 -32.86 72.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.098 -1.001 . . . . 0.0 112.358 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.8 mtt85 -67.06 -32.04 72.95 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.173 0.989 . . . . 0.0 112.905 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -66.45 -46.63 75.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.117 0.871 . . . . 0.0 110.448 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.67 -44.28 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.822 -0.548 . . . . 0.0 111.399 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.11 -41.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.884 1.274 . . . . 0.0 112.098 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.21 -31.69 20.18 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.94 -19.36 13.65 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -131.9 163.82 27.47 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.116 0.967 . . . . 0.0 113.078 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -90.35 -15.87 30.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 -173.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -78.52 136.87 37.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.435 1.094 . . . . 0.0 112.593 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 pt -84.03 -16.46 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.32 1.048 . . . . 0.0 113.494 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.254 1.31 0 C-N-CA 128.16 2.584 . . . . 0.0 110.146 -176.264 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m 53.87 39.82 30.84 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.935 1.294 . . . . 0.0 113.154 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -142.11 156.84 45.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.175 1.79 . . . . 0.0 112.536 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.96 -151.06 46.92 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.268 0.937 . . . . 0.0 114.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m 56.38 37.4 28.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.725 1.61 . . . . 0.0 114.647 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -141.38 158.53 43.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.744 1.617 . . . . 0.0 112.614 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.43 -175.7 43.62 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.854 1.216 . . . . 0.0 113.47 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -87.19 -6.01 58.76 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.18 141.75 35.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.37 1.468 . . . . 0.0 111.711 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -127.14 131.03 50.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.144 1.778 . . . . 0.0 109.462 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.65 145.91 25.4 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.541 1.137 . . . . 0.0 111.926 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.94 144.81 27.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.908 1.683 . . . . 0.0 112.496 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 m -74.25 -14.67 60.95 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.292 1.037 . . . . 0.0 113.187 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.85 -10.08 2.71 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.33 -166.64 2.53 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.514 1.125 . . . . 0.0 113.093 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -88.19 -0.64 57.33 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.495 1.518 . . . . 0.0 114.363 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.07 154.14 31.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.163 0.985 . . . . 0.0 112.748 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 t -147.8 143.27 27.37 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.912 1.285 . . . . 0.0 111.656 176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -144.11 158.29 43.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.618 1.167 . . . . 0.0 112.367 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.25 130.21 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.715 0.806 . . . . 0.0 109.239 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.313 13.0 t 53.69 135.4 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.827 2.851 . . . . 0.0 117.205 -172.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -53.84 -28.96 38.91 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.46 1.504 . . . . 0.0 113.515 169.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -64.8 -32.58 74.33 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.002 0.921 . . . . 0.0 112.905 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.65 -34.69 16.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.797 0.839 . . . . 0.0 112.166 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.49 -36.77 76.68 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.115 1.366 . . . . 0.0 113.062 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -51.53 -36.25 44.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.25 1.02 . . . . 0.0 112.7 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -39.6 93.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.388 1.475 . . . . 0.0 112.683 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -63.4 -43.22 98.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.848 0.859 . . . . 0.0 110.876 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.25 -36.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.638 -0.664 . . . . 0.0 111.651 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.82 -46.62 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.532 1.133 . . . . 0.0 111.623 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -86.46 -46.03 10.58 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -87.7 -21.59 25.13 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -171.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -123.98 173.69 8.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.93 1.292 . . . . 0.0 112.245 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 m -74.36 11.86 0.88 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -171.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.32 52.27 1.57 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 112.437 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -89.98 -18.63 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 125.628 1.571 . . . . 0.0 113.023 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.355 1.862 . . . . 0.0 112.668 -178.441 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -66.56 149.18 50.85 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.579 1.152 . . . . 0.0 113.061 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -75.47 -37.96 59.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.253 1.021 . . . . 0.0 112.767 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.65 154.68 32.85 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.951 1.263 . . . . 0.0 112.862 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 p -76.38 155.2 34.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.495 1.118 . . . . 0.0 112.992 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -131.15 1.35 4.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.122 1.369 . . . . 0.0 114.536 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.44 -120.71 1.28 Allowed Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.841 1.686 . . . . 0.0 109.321 -171.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.0 p80 51.35 13.16 0.17 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 168.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.61 139.55 30.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.635 1.574 . . . . 0.0 111.353 172.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -124.38 140.83 52.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.063 1.745 . . . . 0.0 109.553 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -113.55 140.16 48.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.02 1.328 . . . . 0.0 112.002 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.99 148.86 46.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.375 1.47 . . . . 0.0 113.392 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -85.21 -13.68 49.22 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.109 1.363 . . . . 0.0 113.353 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -128.2 -10.38 5.28 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.64 -171.54 3.83 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 0.0 112.583 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -84.65 -2.31 57.31 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.071 1.348 . . . . 0.0 113.849 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.29 150.75 42.49 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.543 1.137 . . . . 0.0 113.666 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.3 p -146.47 151.2 37.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.681 1.192 . . . . 0.0 112.654 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -147.49 164.85 32.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.929 1.292 . . . . 0.0 112.485 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.62 129.94 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.254 0.622 . . . . 0.0 111.402 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 p 61.8 147.26 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.18 2.192 . . . . 0.0 115.507 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -21.4 66.68 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.921 -1.112 . . . . 0.0 113.886 171.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -66.75 -38.11 85.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.95 0.9 . . . . 0.0 112.199 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.62 -43.11 69.94 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.764 -0.585 . . . . 0.0 111.094 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.32 -37.31 82.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.581 0.753 . . . . 0.0 112.754 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.38 -42.05 73.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.911 0.884 . . . . 0.0 111.796 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -67.66 -38.28 83.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.351 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -58.18 -47.8 82.29 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.16 0.891 . . . . 0.0 111.301 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.1 -42.33 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.734 -0.604 . . . . 0.0 111.322 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.19 -43.43 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.011 0.925 . . . . 0.0 111.943 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.54 -31.28 26.48 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -110.09 -16.58 13.76 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -135.66 167.09 21.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.196 0.998 . . . . 0.0 113.489 -171.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m 54.26 23.71 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.015 1.726 . . . . 0.0 115.266 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -92.27 21.66 5.03 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.039 1.735 . . . . 0.0 114.148 -171.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pp -74.36 163.15 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.961 1.304 . . . . 0.0 113.115 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.571 1.949 . . . . 0.0 111.645 -178.098 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.964 -0.454 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -80.6 169.01 18.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.711 1.204 . . . . 0.0 113.143 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -80.38 5.28 15.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.092 1.357 . . . . 0.0 114.498 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 153.12 51.53 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.562 1.077 . . . . 0.0 114.136 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -73.74 145.02 45.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.942 0.897 . . . . 0.0 112.898 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -92.32 -2.08 56.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 113.574 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.66 147.94 51.11 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.411 1.005 . . . . 0.0 113.881 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -85.51 153.1 22.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.301 1.04 . . . . 0.0 112.473 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.32 139.68 37.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.687 0.795 . . . . 0.0 111.594 170.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -123.48 143.73 49.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.405 1.882 . . . . 0.0 109.329 172.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -116.18 141.53 48.02 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.84 1.256 . . . . 0.0 112.089 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.69 149.67 43.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.917 1.287 . . . . 0.0 112.97 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -82.95 -16.51 47.06 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.381 1.472 . . . . 0.0 113.646 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.55 -10.08 4.55 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -148.8 -171.41 3.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.774 1.23 . . . . 0.0 112.42 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -84.04 -1.6 55.1 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.222 1.409 . . . . 0.0 113.496 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.93 151.85 41.52 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.778 -1.201 . . . . 0.0 113.623 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.2 p -144.87 154.44 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.901 1.28 . . . . 0.0 112.283 170.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -143.77 153.95 42.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.605 1.162 . . . . 0.0 112.09 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.99 124.63 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m 64.28 133.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.195 2.198 . . . . 0.0 114.139 -173.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.23 -23.39 64.02 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.25 -24.52 67.91 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.744 1.218 . . . . 0.0 113.354 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.91 -32.75 15.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.778 0.831 . . . . 0.0 112.237 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.73 -42.94 97.82 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.233 -0.917 . . . . 0.0 112.593 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -60.25 -32.44 71.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.275 -0.89 . . . . 0.0 112.383 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -64.41 -40.27 95.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.652 1.181 . . . . 0.0 111.868 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -60.71 -46.31 90.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.37 0.668 . . . . 0.0 111.431 170.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.71 -40.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 121.429 -0.794 . . . . 0.0 111.549 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.07 -39.44 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 0.0 111.96 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -90.0 -32.51 16.74 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -110.25 -16.12 13.82 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -169.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -130.15 163.32 26.89 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.35 1.06 . . . . 0.0 112.93 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -64.51 124.66 22.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.421 0.688 . . . . 0.0 111.766 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -151.94 155.94 39.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.798 1.639 . . . . 0.0 111.135 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 pt -131.91 160.47 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.331 1.452 . . . . 0.0 112.54 -173.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--O 1.254 1.32 0 C-N-CA 127.2 2.2 . . . . 0.0 110.86 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -82.21 -9.32 59.54 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -174.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -65.71 149.29 50.36 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.955 1.302 . . . . 0.0 113.462 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.62 171.99 51.21 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.431 1.015 . . . . 0.0 114.181 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -132.5 152.17 51.64 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.488 1.515 . . . . 0.0 112.177 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -78.0 -9.83 59.31 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -174.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.05 79.74 0.73 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.303 1.43 . . . . 0.0 113.929 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -82.07 60.38 4.84 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.472 1.509 . . . . 0.0 111.462 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.47 140.82 38.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.749 1.219 . . . . 0.0 111.805 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.45 146.5 51.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 110.1 172.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -121.9 142.38 50.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.342 1.457 . . . . 0.0 112.595 -168.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.92 153.15 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.121 1.368 . . . . 0.0 113.359 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -94.07 -13.04 27.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.075 1.75 . . . . 0.0 113.67 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -122.38 -14.86 7.77 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.37 -175.28 4.65 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 112.398 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -83.21 2.7 34.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.855 1.262 . . . . 0.0 114.36 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.44 145.95 55.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.209 1.004 . . . . 0.0 113.495 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.4 p -150.01 150.04 31.21 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 111.676 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -153.6 168.66 25.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.833 0.853 . . . . 0.0 112.432 174.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.05 138.7 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.43 1.092 . . . . 0.0 109.472 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.323 15.2 t 58.1 139.28 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 129.052 2.941 . . . . 0.0 116.214 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.34 -21.86 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.698 1.199 . . . . 0.0 112.433 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.79 -40.32 92.18 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.018 0.826 . . . . 0.0 112.129 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.44 -40.36 70.44 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.292 0.637 . . . . 0.0 111.206 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -42.91 99.71 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.594 -0.691 . . . . 0.0 112.436 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.09 -42.99 91.78 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.798 0.839 . . . . 0.0 111.08 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -64.15 -37.59 88.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.251 1.02 . . . . 0.0 112.484 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -61.2 -48.29 82.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.75 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.56 -40.52 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.857 0.753 . . . . 0.0 111.078 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.11 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.998 0.919 . . . . 0.0 111.047 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -75.45 -35.27 60.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -172.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -108.27 -24.62 11.42 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -124.92 -12.04 7.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 78.3 p 44.69 30.13 0.49 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 127.727 2.411 . . . . 0.0 115.511 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 53.96 27.61 7.59 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.664 1.985 . . . . 0.0 114.812 -173.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -86.17 142.8 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.951 1.301 . . . . 0.0 110.312 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.334 1.854 . . . . 0.0 113.337 176.631 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -66.64 -16.37 64.14 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -78.06 -8.02 57.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.753 1.621 . . . . 0.0 114.27 172.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.26 170.08 45.52 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.82 1.2 . . . . 0.0 114.698 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -145.09 165.61 27.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 111.879 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -146.71 170.39 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.678 1.591 . . . . 0.0 112.164 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.25 -169.49 31.77 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.155 1.36 . . . . 0.0 113.557 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 58.37 20.61 7.49 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.711 1.604 . . . . 0.0 114.334 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.37 149.31 44.0 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.254 1.822 . . . . 0.0 111.336 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -113.17 139.83 48.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.933 1.693 . . . . 0.0 109.171 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -115.27 142.01 47.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.662 1.185 . . . . 0.0 112.218 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.75 150.25 41.82 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.916 1.287 . . . . 0.0 112.903 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.3 p -86.8 -12.44 48.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.431 1.492 . . . . 0.0 113.799 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -127.01 -13.98 5.62 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -146.05 -172.89 4.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.352 1.061 . . . . 0.0 112.998 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -82.59 -2.87 55.05 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.214 1.405 . . . . 0.0 113.564 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.55 147.0 50.39 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.914 -1.116 . . . . 0.0 113.391 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.3 p -148.32 152.62 37.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.402 1.081 . . . . 0.0 112.614 169.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -148.13 163.05 38.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.503 1.121 . . . . 0.0 113.312 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.2 mt -77.45 135.33 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.146 0.978 . . . . 0.0 109.004 171.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.8 m 64.69 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.214 2.206 . . . . 0.0 114.437 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -63.56 -27.01 68.96 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.689 -1.257 . . . . 0.0 113.788 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.44 -22.82 66.8 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.24 -41.68 21.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.93 0.892 . . . . 0.0 111.153 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.31 -38.05 76.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.161 0.984 . . . . 0.0 112.057 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -49.23 -46.92 46.6 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.588 1.155 . . . . 0.0 111.753 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.11 -34.27 77.26 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.145 0.978 . . . . 0.0 112.854 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -60.47 -41.84 95.01 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.07 0.85 . . . . 0.0 111.245 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.98 -38.66 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.408 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mm -62.54 -45.72 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.695 1.134 . . . . 0.0 111.12 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -74.25 -40.3 62.47 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.13 -19.65 12.96 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -134.33 37.14 3.17 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.794 1.238 . . . . 0.0 112.562 -169.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 p -59.51 -24.4 63.61 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -79.38 69.45 5.63 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.955 1.302 . . . . 0.0 111.069 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 tt -133.64 143.26 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.585 1.954 . . . . 0.0 111.106 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.08 1.752 . . . . 0.0 111.697 -176.539 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -148.0 150.63 34.33 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.07 1.348 . . . . 0.0 111.846 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -86.36 -9.98 55.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.197 1.399 . . . . 0.0 113.728 172.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.08 149.31 40.79 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.427 1.013 . . . . 0.0 113.927 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -139.79 145.75 38.6 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.607 1.563 . . . . 0.0 111.71 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -100.88 -11.02 20.13 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.203 1.401 . . . . 0.0 114.711 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.12 144.68 41.68 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.318 0.961 . . . . 0.0 114.046 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -134.65 10.44 3.69 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.511 1.524 . . . . 0.0 113.822 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -80.64 160.77 24.95 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.696 1.598 . . . . 0.0 111.586 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -81.92 127.25 32.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.103 0.961 . . . . 0.0 109.839 169.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -99.66 147.07 25.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.44 1.096 . . . . 0.0 112.87 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.78 147.56 49.49 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.722 1.609 . . . . 0.0 112.347 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -82.59 -11.75 58.2 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.61 1.164 . . . . 0.0 113.116 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -127.45 -13.02 5.53 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.03 -171.11 3.82 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.017 1.327 . . . . 0.0 112.51 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -84.87 -1.14 56.15 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.981 1.312 . . . . 0.0 113.758 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -62.36 150.09 40.51 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.861 -1.149 . . . . 0.0 113.086 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -146.99 157.22 43.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.428 1.091 . . . . 0.0 113.241 174.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -145.1 154.92 42.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.077 1.351 . . . . 0.0 114.409 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.75 129.9 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 167.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 64.55 154.16 0.06 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.482 1.913 . . . . 0.0 113.855 -167.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.74 -24.33 60.95 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.394 -0.817 . . . . 0.0 112.85 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -62.41 -42.5 99.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.846 0.858 . . . . 0.0 112.01 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -69.64 -25.86 64.13 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.782 0.833 . . . . 0.0 112.83 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -77.24 -41.52 40.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.246 1.018 . . . . 0.0 112.877 172.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.34 -43.5 92.76 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.284 -0.885 . . . . 0.0 112.19 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -64.01 -32.99 74.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.792 0.723 . . . . 0.0 112.946 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -64.48 -48.05 76.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.011 0.823 . . . . 0.0 111.619 170.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -62.1 -38.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.529 -0.732 . . . . 0.0 111.333 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.07 -52.43 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.886 0.874 . . . . 0.0 110.921 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -75.65 -31.97 60.03 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -172.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -107.35 -23.29 12.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -126.47 -26.15 3.34 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -172.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -80.73 147.9 30.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.171 0.896 . . . . 0.0 112.101 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -82.7 56.09 3.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.585 1.154 . . . . 0.0 112.689 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pp -114.32 2.31 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.54 1.536 . . . . 0.0 114.111 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.897 1.679 . . . . 0.0 112.566 -179.789 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m 62.04 165.18 0.1 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.869 2.068 . . . . 0.0 115.415 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -87.78 174.08 8.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.957 1.303 . . . . 0.0 112.852 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.36 173.35 49.11 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.649 1.595 . . . . 0.0 114.74 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -149.73 169.16 21.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.956 1.702 . . . . 0.0 112.08 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -128.34 158.79 37.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.406 1.482 . . . . 0.0 113.018 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.2 171.74 38.74 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.661 1.124 . . . . 0.0 114.168 -175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -81.6 61.9 5.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.911 1.284 . . . . 0.0 111.933 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.66 139.15 49.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 113.038 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -126.28 149.17 49.3 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.016 2.127 . . . . 0.0 109.662 169.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -124.43 141.51 52.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.982 1.313 . . . . 0.0 111.82 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -66.9 153.23 44.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 113.318 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -90.52 -23.03 21.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.701 1.601 . . . . 0.0 112.708 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -115.76 -12.62 11.47 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.62 -172.13 3.96 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.978 1.311 . . . . 0.0 112.29 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -87.1 2.77 48.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 114.121 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.04 148.14 50.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.359 1.064 . . . . 0.0 113.472 -178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -146.22 151.76 38.11 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 112.337 170.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.8 p -149.83 152.69 35.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.826 1.25 . . . . 0.0 112.347 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.72 137.14 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.936 -0.478 . . . . 0.0 111.09 169.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m 63.26 130.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.26 2.224 . . . . 0.0 114.231 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -64.44 -19.27 65.44 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.19 -35.3 80.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 0.0 112.346 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -66.14 -40.84 90.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.457 0.703 . . . . 0.0 110.974 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.41 -40.02 89.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.26 0.624 . . . . 0.0 111.99 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -59.87 -43.17 94.87 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 111.315 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -65.44 -30.24 71.01 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -67.17 -48.01 69.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.537 1.062 . . . . 0.0 111.093 168.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.2 t -64.94 -35.03 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.566 1.146 . . . . 0.0 112.033 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.31 -47.74 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.833 1.253 . . . . 0.0 111.692 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -88.9 -42.55 11.77 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.64 -22.74 18.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.932 1.293 . . . . 0.0 113.744 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -121.36 17.8 11.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.109 1.364 . . . . 0.0 112.927 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.9 p 48.13 37.18 7.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.237 2.215 . . . . 0.0 115.714 170.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -66.25 -9.92 37.11 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pp -87.11 -6.15 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.514 1.526 . . . . 0.0 114.96 174.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.98 1.712 . . . . 0.0 112.449 -176.79 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -78.13 159.16 28.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 113.341 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -69.42 151.74 45.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.681 1.192 . . . . 0.0 113.224 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 164.38 52.35 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.362 0.982 . . . . 0.0 114.114 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -148.02 167.1 25.79 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.351 1.46 . . . . 0.0 112.758 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -142.75 177.83 8.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.739 1.616 . . . . 0.0 111.846 178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.57 4.79 41.14 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.303 0.954 . . . . 0.0 114.775 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 58.12 26.82 14.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.968 1.707 . . . . 0.0 113.717 -173.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.2 mt -91.93 171.33 9.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.705 1.602 . . . . 0.0 111.388 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.79 123.9 41.93 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 108.176 168.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -108.8 141.04 41.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.181 1.392 . . . . 0.0 112.107 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.42 145.9 55.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.631 1.172 . . . . 0.0 112.557 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.4 m -82.08 -12.7 58.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.768 1.227 . . . . 0.0 113.244 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.61 -12.82 4.33 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -169.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.69 -174.13 4.4 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.486 1.114 . . . . 0.0 112.929 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -78.3 -6.15 54.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 114.116 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.12 141.55 58.08 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.079 -1.013 . . . . 0.0 113.497 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -153.03 147.93 26.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.744 1.218 . . . . 0.0 111.876 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -154.27 172.11 18.17 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.992 0.917 . . . . 0.0 112.689 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 pt -74.62 149.07 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.24 1.016 . . . . 0.0 111.133 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 60.54 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.378 2.271 . . . . 0.0 115.102 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -60.44 -23.91 64.79 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -65.51 -34.83 79.19 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.987 0.812 . . . . 0.0 112.336 172.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.7 m -69.74 -37.84 76.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.314 -0.866 . . . . 0.0 111.308 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.65 -40.18 96.19 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.702 -0.623 . . . . 0.0 112.143 171.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.77 -42.78 94.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.29 -0.881 . . . . 0.0 111.489 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -62.99 -39.12 93.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.912 0.885 . . . . 0.0 112.412 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -58.86 -47.27 85.5 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.054 0.843 . . . . 0.0 111.672 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.89 -37.95 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.903 0.774 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.47 -43.6 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.21 1.004 . . . . 0.0 111.674 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.66 -37.11 14.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -105.38 -10.05 17.21 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -169.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -123.39 130.74 53.14 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.137 0.975 . . . . 0.0 111.903 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -89.3 -13.92 36.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.234 1.414 . . . . 0.0 113.885 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -141.36 153.97 45.39 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.93 2.092 . . . . 0.0 109.709 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.79 155.42 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.774 1.23 . . . . 0.0 112.719 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.627 1.971 . . . . 0.0 111.919 178.026 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -63.51 -21.92 66.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -84.16 -6.78 59.45 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.516 1.126 . . . . 0.0 113.673 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.65 -175.04 41.46 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.754 1.168 . . . . 0.0 114.115 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 m 52.82 36.41 21.36 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.665 1.586 . . . . 0.0 114.466 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -78.69 54.13 1.45 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.026 1.73 . . . . 0.0 114.022 -170.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.41 -118.44 12.56 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.565 1.079 . . . . 0.0 112.549 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -122.22 26.5 8.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.964 1.306 . . . . 0.0 112.641 173.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.99 140.34 45.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.789 0.836 . . . . 0.0 111.608 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -123.91 143.22 50.5 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.301 1.841 . . . . 0.0 109.575 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -121.57 140.5 52.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.091 1.356 . . . . 0.0 111.997 -168.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.56 149.61 50.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.674 1.19 . . . . 0.0 113.283 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -91.08 -12.1 36.64 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.292 1.437 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -125.36 -12.0 6.83 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.95 -170.81 3.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.989 1.316 . . . . 0.0 112.332 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -84.86 -2.09 57.34 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.179 1.392 . . . . 0.0 113.951 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -62.97 148.03 48.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.337 1.055 . . . . 0.0 113.694 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.3 p -147.67 153.59 39.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.05 1.34 . . . . 0.0 111.961 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -149.98 159.56 44.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.159 0.984 . . . . 0.0 112.248 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 pt -74.8 133.59 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.376 0.67 . . . . 0.0 110.929 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 65.26 134.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.588 1.955 . . . . 0.0 114.438 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.1 -24.16 67.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.61 -32.8 74.36 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.285 0.948 . . . . 0.0 112.672 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.69 -28.36 63.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.937 0.895 . . . . 0.0 111.888 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.46 -42.59 52.86 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.887 0.875 . . . . 0.0 111.767 168.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.37 -44.56 84.52 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.921 0.888 . . . . 0.0 111.959 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.05 -34.35 78.21 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.44 -47.54 83.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.108 0.867 . . . . 0.0 111.309 170.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.24 -41.23 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.647 -0.658 . . . . 0.0 111.232 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -62.66 -43.28 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.112 0.965 . . . . 0.0 111.979 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -85.24 -30.73 23.59 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -108.78 -18.63 13.66 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -132.62 177.55 7.53 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.497 1.119 . . . . 0.0 113.268 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -127.02 165.83 18.72 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.345 1.858 . . . . 0.0 111.936 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -124.58 147.08 48.68 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.408 1.483 . . . . 0.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -117.55 -11.3 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 126.718 2.007 . . . . 0.0 113.409 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.095 1.758 . . . . 0.0 112.613 -174.557 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -66.54 147.54 53.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.436 1.095 . . . . 0.0 112.949 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -84.17 142.97 29.95 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.062 0.945 . . . . 0.0 112.223 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.77 -164.91 38.21 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 124.714 1.149 . . . . 0.0 114.854 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -102.22 11.21 38.57 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.383 1.473 . . . . 0.0 113.703 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 m -56.61 125.21 21.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.718 1.207 . . . . 0.0 112.416 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.07 0.44 65.36 Favored Glycine 0 CA--C 1.539 1.562 0 N-CA-C 115.824 1.09 . . . . 0.0 115.824 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.56 157.68 24.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.295 1.547 . . . . 0.0 111.809 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.9 146.01 25.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.808 0.814 . . . . 0.0 112.921 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -116.91 138.59 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.466 2.307 . . . . 0.0 108.528 174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -119.79 143.96 47.56 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.256 1.022 . . . . 0.0 112.792 -169.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.93 151.13 43.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.865 1.266 . . . . 0.0 112.79 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -87.85 -12.63 44.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.621 1.568 . . . . 0.0 113.802 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -127.52 -14.7 5.2 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.63 -174.3 4.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.284 1.034 . . . . 0.0 112.895 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -82.52 -1.29 50.09 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.004 1.321 . . . . 0.0 113.479 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.28 146.88 49.81 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.868 -1.145 . . . . 0.0 113.249 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -144.63 156.57 44.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.94 1.296 . . . . 0.0 112.448 171.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -143.33 162.02 36.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.087 1.355 . . . . 0.0 111.807 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 tt -82.3 -1.52 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.281 1.032 . . . . 0.0 113.572 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -141.94 151.81 42.93 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.318 1.047 . . . . 0.0 111.976 169.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -66.17 -24.94 66.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.379 0.672 . . . . 0.0 112.454 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.39 -44.01 79.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.834 1.254 . . . . 0.0 111.947 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.74 -38.56 73.55 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.411 0.684 . . . . 0.0 112.305 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.3 -38.34 83.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.592 -0.692 . . . . 0.0 112.335 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.5 -42.11 86.86 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.342 -0.849 . . . . 0.0 111.772 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.5 mtm-85 -65.93 -34.1 77.34 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.999 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -62.17 -47.57 83.92 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.62 1.1 . . . . 0.0 111.221 169.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.01 -39.42 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.48 -0.762 . . . . 0.0 111.809 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.35 -43.87 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.058 0.943 . . . . 0.0 111.525 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.32 -35.39 41.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -108.02 -24.36 11.63 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -169.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -130.36 -18.51 3.22 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -81.5 149.3 28.78 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 0.0 112.521 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -148.25 160.09 43.31 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.968 1.307 . . . . 0.0 112.566 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.07 163.38 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.812 1.245 . . . . 0.0 111.79 169.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.156 1.782 . . . . 0.0 111.653 178.651 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.45 143.16 26.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.235 1.014 . . . . 0.0 113.356 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -56.1 148.98 16.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 113.45 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 m -74.98 -17.39 60.55 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.815 1.246 . . . . 0.0 113.522 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -133.36 -9.38 2.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.6 -168.76 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.737 1.153 . . . . 0.0 113.469 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -89.02 0.83 56.34 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.584 1.554 . . . . 0.0 114.412 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.91 153.38 37.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.074 0.95 . . . . 0.0 112.458 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -146.96 152.85 39.32 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.139 0.976 . . . . 0.0 113.223 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -143.89 170.85 15.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.79 1.236 . . . . 0.0 113.391 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 pt -82.69 125.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.753 1.221 . . . . 0.0 110.81 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 p 59.56 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.302 2.241 . . . . 0.0 115.85 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.87 -27.81 68.5 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.104 169.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.88 -28.76 69.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.445 1.498 . . . . 0.0 113.089 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.64 -43.33 12.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.459 0.572 . . . . 0.0 111.369 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.52 -37.57 73.22 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -58.09 -31.79 67.45 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.397 -0.814 . . . . 0.0 113.074 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -66.31 -37.95 86.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.257 1.023 . . . . 0.0 112.09 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.73 -44.85 96.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.552 0.614 . . . . 0.0 111.237 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.97 -37.85 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.52 -0.738 . . . . 0.0 111.855 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.34 -44.57 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.716 1.207 . . . . 0.0 111.724 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -87.93 -34.89 17.96 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.447 1.276 . . . . 0.0 114.447 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -104.96 -13.09 15.9 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -169.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 124.327 1.051 . . . . 0.0 113.558 -176.11 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -117.96 143.62 46.21 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.617 1.167 . . . . 0.0 112.198 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.89 145.9 51.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 112.1 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -85.99 -14.11 45.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.546 1.138 . . . . 0.0 113.255 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -112.96 -22.58 10.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.717 1.207 . . . . 0.0 114.003 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.95 -171.15 3.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.696 1.198 . . . . 0.0 112.952 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -84.24 -0.86 53.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.064 1.346 . . . . 0.0 114.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.94 151.87 44.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.244 1.017 . . . . 0.0 113.46 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -144.52 155.1 43.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.678 172.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -143.54 156.53 44.63 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.091 1.356 . . . . 0.0 111.393 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.05 126.98 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 121.802 -0.561 . . . . 0.0 109.904 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 63.94 145.17 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.793 2.037 . . . . 0.0 114.844 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -63.6 -26.52 68.73 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.972 -1.08 . . . . 0.0 112.628 169.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -67.74 -24.77 65.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.09 1.356 . . . . 0.0 113.098 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -90.61 -40.0 12.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.441 0.696 . . . . 0.0 111.933 169.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -54.7 -35.85 64.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.006 . . . . 0.0 113.21 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -53.83 -32.64 53.55 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -68.3 -35.91 78.54 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.095 0.958 . . . . 0.0 112.558 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -64.0 -43.31 96.06 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.18 0.592 . . . . 0.0 111.306 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.03 -41.48 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.797 -0.564 . . . . 0.0 111.054 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.38 -43.42 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.469 1.108 . . . . 0.0 111.374 173.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -75.8 -41.07 53.85 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -108.55 -20.96 12.92 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 124.57 1.148 . . . . 0.0 112.991 -169.845 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 145.02 30.79 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.61 1.164 . . . . 0.0 113.315 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.75 152.03 23.8 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.994 1.717 . . . . 0.0 112.982 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.1 p -81.78 -16.1 52.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.226 1.411 . . . . 0.0 113.634 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -129.02 -11.0 4.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -148.72 -172.76 4.17 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.641 1.177 . . . . 0.0 112.63 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.35 1.25 45.99 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.035 1.334 . . . . 0.0 114.368 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.6 150.34 44.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.224 1.01 . . . . 0.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -146.73 154.75 41.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.298 1.039 . . . . 0.0 112.918 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -143.81 165.54 27.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.895 1.278 . . . . 0.0 112.108 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.13 136.37 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.429 0.692 . . . . 0.0 110.647 173.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 61.72 147.82 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 126.898 2.079 . . . . 0.0 115.06 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -68.22 -26.15 65.57 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.098 -1.001 . . . . 0.0 111.886 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -66.27 -44.44 83.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.805 1.242 . . . . 0.0 112.321 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.74 -32.94 66.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.717 -0.614 . . . . 0.0 112.131 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.54 -30.72 63.41 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.529 1.132 . . . . 0.0 113.249 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.72 -36.1 66.84 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.379 -0.826 . . . . 0.0 112.462 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -63.74 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.588 1.155 . . . . 0.0 111.8 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -62.76 -46.07 89.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.365 0.666 . . . . 0.0 111.456 172.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.71 -36.6 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.471 -0.768 . . . . 0.0 111.476 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.16 -44.15 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.787 1.235 . . . . 0.0 111.715 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -92.49 -32.98 14.67 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.18 -10.52 15.4 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -168.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 124.384 1.074 . . . . 0.0 112.237 176.653 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -110.39 144.47 39.12 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.57 1.148 . . . . 0.0 112.459 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.39 147.43 48.5 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.515 1.526 . . . . 0.0 112.369 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.2 m -85.21 -14.79 45.75 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.4 1.08 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.18 -22.27 10.58 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.706 1.202 . . . . 0.0 114.045 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.91 -172.21 3.94 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.623 1.169 . . . . 0.0 113.137 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -83.92 -0.52 51.75 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.094 1.358 . . . . 0.0 114.495 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.28 149.98 44.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.32 1.048 . . . . 0.0 113.284 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.4 p -146.17 152.88 39.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.627 1.171 . . . . 0.0 112.782 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t -146.34 157.11 43.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.566 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 pt -76.88 134.36 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.727 -0.608 . . . . 0.0 111.049 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m 63.27 134.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.44 1.896 . . . . 0.0 114.61 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -61.08 -31.03 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.463 -1.398 . . . . 0.0 113.784 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.78 -22.78 67.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.285 1.034 . . . . 0.0 113.497 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -87.83 -41.48 13.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.973 0.909 . . . . 0.0 111.478 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.34 -40.56 78.27 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.986 0.915 . . . . 0.0 112.439 174.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.91 -33.57 62.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.177 0.991 . . . . 0.0 112.612 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -68.29 -39.69 82.02 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.863 1.265 . . . . 0.0 111.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -61.4 -44.47 97.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.153 0.581 . . . . 0.0 111.297 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.14 -41.01 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.749 -0.594 . . . . 0.0 111.369 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.1 -44.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.627 1.171 . . . . 0.0 111.687 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.75 -34.0 30.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.99 -16.78 13.75 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 124.391 1.076 . . . . 0.0 112.856 -173.18 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -101.48 143.97 30.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.333 1.053 . . . . 0.0 113.513 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.14 147.96 33.16 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -94.0 0.16 55.85 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.183 1.393 . . . . 0.0 113.757 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -119.97 -24.78 5.98 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.729 1.212 . . . . 0.0 114.13 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.88 -170.74 3.48 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.436 1.094 . . . . 0.0 113.362 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -84.63 -2.76 57.93 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.352 1.461 . . . . 0.0 114.653 -175.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.82 151.4 39.02 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.394 1.078 . . . . 0.0 113.105 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.6 p -144.68 153.64 41.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.291 1.036 . . . . 0.0 113.413 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -144.91 178.71 7.83 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.48 1.512 . . . . 0.0 112.644 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.14 112.59 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.286 1.435 . . . . 0.0 111.608 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 p 59.27 161.14 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.657 2.383 . . . . 0.0 115.598 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -58.35 -26.59 63.3 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -67.82 -26.06 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.812 1.245 . . . . 0.0 113.063 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.37 -39.52 8.76 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.913 0.885 . . . . 0.0 111.7 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.15 -39.53 75.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.881 0.872 . . . . 0.0 113.131 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.29 -29.73 64.12 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.42 -0.8 . . . . 0.0 112.794 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -67.52 -31.66 71.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.893 1.277 . . . . 0.0 112.155 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.54 -44.45 67.48 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.97 0.908 . . . . 0.0 111.024 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.39 -41.86 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.482 0.713 . . . . 0.0 111.448 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.52 -45.28 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.856 1.262 . . . . 0.0 111.724 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -83.88 -32.59 25.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -108.04 -24.15 11.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -172.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.796 1.239 . . . . 0.0 112.622 -169.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -94.84 147.09 23.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.209 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.41 151.92 22.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.293 1.837 . . . . 0.0 112.699 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 p -81.83 -12.92 58.28 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.094 1.358 . . . . 0.0 113.637 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -129.55 -12.43 4.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -147.0 -174.0 4.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.397 1.079 . . . . 0.0 112.997 176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -84.9 -0.46 54.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 114.013 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 149.06 38.88 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.016 -1.052 . . . . 0.0 112.726 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -145.2 149.57 35.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.161 0.984 . . . . 0.0 113.007 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -148.14 161.02 42.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.028 1.331 . . . . 0.0 111.902 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.18 132.53 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.378 -0.826 . . . . 0.0 111.165 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 6.5 t 56.29 150.02 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.312 2.645 . . . . 0.0 116.819 -172.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -63.76 -27.21 69.03 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.52 -1.362 . . . . 0.0 112.607 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -64.67 -24.58 67.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.05 0.94 . . . . 0.0 113.14 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 t -89.29 -43.51 10.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.831 0.741 . . . . 0.0 111.301 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.96 -36.99 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.785 0.834 . . . . 0.0 113.111 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -58.77 -31.84 68.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.91 0.884 . . . . 0.0 112.49 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -67.93 -40.4 83.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.447 1.099 . . . . 0.0 111.334 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -60.96 -44.36 97.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.341 0.656 . . . . 0.0 111.405 170.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.54 -37.07 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.597 -0.689 . . . . 0.0 111.861 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.09 -44.67 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.545 1.138 . . . . 0.0 111.79 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -84.96 -34.93 22.33 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -110.02 -12.9 14.48 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 124.721 1.209 . . . . 0.0 112.768 -174.38 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.05 143.05 50.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.806 0.842 . . . . 0.0 112.987 -168.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.76 151.34 47.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.531 1.132 . . . . 0.0 112.591 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -98.94 -12.63 20.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.159 1.384 . . . . 0.0 112.904 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -109.67 -18.58 13.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.978 1.311 . . . . 0.0 113.305 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -148.01 -171.55 3.85 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.498 1.519 . . . . 0.0 111.994 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -88.5 8.41 28.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.079 1.352 . . . . 0.0 114.098 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -64.51 145.8 55.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.948 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 m -126.37 140.41 52.52 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.728 2.011 . . . . 0.0 110.504 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.32 147.15 41.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.294 1.037 . . . . 0.0 112.55 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.19 122.8 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.539 1.136 . . . . 0.0 108.928 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m 65.65 136.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.728 2.011 . . . . 0.0 113.225 -168.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.495 -1.378 . . . . 0.0 114.348 -169.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -61.67 -38.39 87.59 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.062 -1.024 . . . . 0.0 112.704 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.59 -36.77 83.43 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.781 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.8 -42.21 95.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.49 0.716 . . . . 0.0 112.394 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.87 -42.26 93.34 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.347 -0.846 . . . . 0.0 111.431 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.37 -38.8 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.667 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -58.51 -48.22 81.56 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.499 1.045 . . . . 0.0 111.77 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.73 -38.64 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.374 -0.829 . . . . 0.0 111.703 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.97 -41.94 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.394 1.077 . . . . 0.0 111.825 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.59 -32.59 15.45 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -107.5 -12.03 15.37 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -169.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 124.392 1.077 . . . . 0.0 112.257 179.068 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -109.52 141.71 41.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.944 1.298 . . . . 0.0 112.437 -169.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -66.42 151.13 47.81 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.319 1.448 . . . . 0.0 113.424 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -88.43 -12.91 41.78 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.326 1.45 . . . . 0.0 113.4 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -125.61 -13.46 6.49 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.09 -175.58 4.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.848 1.259 . . . . 0.0 112.437 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -82.92 1.85 37.51 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.64 150.08 49.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.397 1.079 . . . . 0.0 113.473 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -147.17 151.74 37.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.558 1.143 . . . . 0.0 112.144 169.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -148.78 156.45 42.36 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tp -67.52 126.79 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.758 1.223 . . . . 0.0 110.495 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 64.78 146.42 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.517 2.327 . . . . 0.0 115.24 -169.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -67.81 -20.27 65.16 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.7 -47.8 82.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.82 0.848 . . . . 0.0 111.014 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.45 -37.21 85.03 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.607 -0.683 . . . . 0.0 111.589 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.85 -42.26 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 112.517 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -59.46 -41.61 90.08 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.425 -0.797 . . . . 0.0 111.254 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -64.6 -37.56 88.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.567 174.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.3 -48.4 81.75 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.367 0.985 . . . . 0.0 111.793 169.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.81 -45.09 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.807 0.73 . . . . 0.0 110.899 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.28 -42.17 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.313 1.045 . . . . 0.0 111.647 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -80.97 -37.06 29.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -109.38 -20.63 12.85 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.845 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -107.34 145.89 32.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.826 1.25 . . . . 0.0 112.472 -170.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.38 148.4 23.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.971 1.708 . . . . 0.0 113.293 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -80.16 -10.2 59.75 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.159 1.384 . . . . 0.0 113.578 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.53 -18.0 3.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -145.09 -168.87 3.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.903 1.228 . . . . 0.0 113.591 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.61 -2.48 58.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.538 1.535 . . . . 0.0 114.392 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.64 151.59 37.65 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.114 0.966 . . . . 0.0 112.915 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.9 p -146.29 155.44 42.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.314 1.046 . . . . 0.0 112.96 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -143.61 159.29 42.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.875 1.27 . . . . 0.0 111.795 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 pt -72.4 127.66 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.407 0.683 . . . . 0.0 110.714 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.342 2.1 t 55.39 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.689 2.796 . . . . 0.0 116.445 -168.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -24.81 66.86 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.986 1.314 . . . . 0.0 114.406 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.32 -35.58 76.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.648 0.779 . . . . 0.0 112.092 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m -77.95 -31.36 50.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.992 0.917 . . . . 0.0 112.096 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.55 -33.17 73.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.636 1.574 . . . . 0.0 113.203 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -52.49 -37.53 57.51 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.948 0.795 . . . . 0.0 112.523 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -61.25 -33.42 73.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.417 . . . . 0.0 112.841 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -69.73 -47.34 63.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 110.783 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -62.01 -42.31 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.51 0.724 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.21 -41.56 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.546 1.538 . . . . 0.0 111.992 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -91.04 -31.47 16.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.43 -19.99 13.52 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.249 1.02 . . . . 0.0 113.17 -170.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.51 136.12 53.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.1 0.96 . . . . 0.0 112.413 -169.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.77 125.76 25.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.61 1.564 . . . . 0.0 111.409 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -71.05 -13.91 62.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.239 0.615 . . . . 0.0 112.65 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.95 -35.58 11.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.963 1.305 . . . . 0.0 112.897 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.64 3.42 1.47 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . 0.252 22.8 t60 60.84 15.2 5.76 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -56.77 135.42 55.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.901 -1.124 . . . . 0.0 110.664 168.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -103.73 141.86 35.35 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.436 1.095 . . . . 0.0 113.037 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -143.79 154.01 42.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.589 1.156 . . . . 0.0 112.001 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 pp -77.07 122.34 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.788 . . . . 0.0 110.418 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p 62.27 156.17 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.347 1.859 . . . . 0.0 115.028 -169.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -67.44 -26.77 66.56 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.034 -1.041 . . . . 0.0 112.644 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -67.08 -36.57 82.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.924 0.89 . . . . 0.0 112.571 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.18 -37.55 57.73 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.445 -0.784 . . . . 0.0 111.83 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.43 -39.12 86.34 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.633 -0.667 . . . . 0.0 112.651 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.58 -32.86 72.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.098 -1.001 . . . . 0.0 112.358 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.8 mtt85 -67.06 -32.04 72.95 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.173 0.989 . . . . 0.0 112.905 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -66.45 -46.63 75.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.117 0.871 . . . . 0.0 110.448 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.67 -44.28 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.822 -0.548 . . . . 0.0 111.399 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.11 -41.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.884 1.274 . . . . 0.0 112.098 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.21 -31.69 20.18 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.94 -19.36 13.65 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.116 0.967 . . . . 0.0 113.078 -173.031 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.65 145.91 25.4 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.541 1.137 . . . . 0.0 111.926 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.94 144.81 27.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.908 1.683 . . . . 0.0 112.496 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 m -74.25 -14.67 60.95 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.292 1.037 . . . . 0.0 113.187 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.85 -10.08 2.71 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.33 -166.64 2.53 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.514 1.125 . . . . 0.0 113.093 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -88.19 -0.64 57.33 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.495 1.518 . . . . 0.0 114.363 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.07 154.14 31.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.163 0.985 . . . . 0.0 112.748 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 t -147.8 143.27 27.37 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.912 1.285 . . . . 0.0 111.656 176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -144.11 158.29 43.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.618 1.167 . . . . 0.0 112.367 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.25 130.21 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.715 0.806 . . . . 0.0 109.239 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.313 13.0 t 53.69 135.4 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.827 2.851 . . . . 0.0 117.205 -172.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -53.84 -28.96 38.91 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.46 1.504 . . . . 0.0 113.515 169.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -64.8 -32.58 74.33 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.002 0.921 . . . . 0.0 112.905 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.65 -34.69 16.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.797 0.839 . . . . 0.0 112.166 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.49 -36.77 76.68 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.115 1.366 . . . . 0.0 113.062 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -51.53 -36.25 44.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.25 1.02 . . . . 0.0 112.7 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -39.6 93.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.388 1.475 . . . . 0.0 112.683 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -63.4 -43.22 98.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.848 0.859 . . . . 0.0 110.876 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.25 -36.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.638 -0.664 . . . . 0.0 111.651 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.82 -46.62 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.532 1.133 . . . . 0.0 111.623 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -86.46 -46.03 10.58 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -87.7 -21.59 25.13 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -171.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.93 1.292 . . . . 0.0 112.245 -178.198 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -113.55 140.16 48.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.02 1.328 . . . . 0.0 112.002 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.99 148.86 46.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.375 1.47 . . . . 0.0 113.392 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -85.21 -13.68 49.22 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.109 1.363 . . . . 0.0 113.353 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -128.2 -10.38 5.28 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.64 -171.54 3.83 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 0.0 112.583 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -84.65 -2.31 57.31 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.071 1.348 . . . . 0.0 113.849 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.29 150.75 42.49 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.543 1.137 . . . . 0.0 113.666 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.3 p -146.47 151.2 37.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.681 1.192 . . . . 0.0 112.654 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -147.49 164.85 32.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.929 1.292 . . . . 0.0 112.485 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.62 129.94 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.254 0.622 . . . . 0.0 111.402 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 p 61.8 147.26 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.18 2.192 . . . . 0.0 115.507 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -21.4 66.68 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.921 -1.112 . . . . 0.0 113.886 171.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -66.75 -38.11 85.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.95 0.9 . . . . 0.0 112.199 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.62 -43.11 69.94 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.764 -0.585 . . . . 0.0 111.094 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.32 -37.31 82.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.581 0.753 . . . . 0.0 112.754 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.38 -42.05 73.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.911 0.884 . . . . 0.0 111.796 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -67.66 -38.28 83.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.351 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -58.18 -47.8 82.29 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.16 0.891 . . . . 0.0 111.301 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.1 -42.33 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.734 -0.604 . . . . 0.0 111.322 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.19 -43.43 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.011 0.925 . . . . 0.0 111.943 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.54 -31.28 26.48 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -110.09 -16.58 13.76 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.196 0.998 . . . . 0.0 113.489 -171.278 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -116.18 141.53 48.02 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.84 1.256 . . . . 0.0 112.089 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.69 149.67 43.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.917 1.287 . . . . 0.0 112.97 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -82.95 -16.51 47.06 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.381 1.472 . . . . 0.0 113.646 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.55 -10.08 4.55 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -148.8 -171.41 3.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.774 1.23 . . . . 0.0 112.42 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -84.04 -1.6 55.1 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.222 1.409 . . . . 0.0 113.496 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.93 151.85 41.52 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.778 -1.201 . . . . 0.0 113.623 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.2 p -144.87 154.44 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.901 1.28 . . . . 0.0 112.283 170.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -143.77 153.95 42.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.605 1.162 . . . . 0.0 112.09 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.99 124.63 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m 64.28 133.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.195 2.198 . . . . 0.0 114.139 -173.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.23 -23.39 64.02 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.25 -24.52 67.91 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.744 1.218 . . . . 0.0 113.354 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.91 -32.75 15.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.778 0.831 . . . . 0.0 112.237 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.73 -42.94 97.82 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.233 -0.917 . . . . 0.0 112.593 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -60.25 -32.44 71.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.275 -0.89 . . . . 0.0 112.383 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -64.41 -40.27 95.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.652 1.181 . . . . 0.0 111.868 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -60.71 -46.31 90.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.37 0.668 . . . . 0.0 111.431 170.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.71 -40.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 121.429 -0.794 . . . . 0.0 111.549 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.07 -39.44 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 0.0 111.96 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -90.0 -32.51 16.74 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -110.25 -16.12 13.82 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -169.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 124.35 1.06 . . . . 0.0 112.93 -174.547 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -121.9 142.38 50.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.342 1.457 . . . . 0.0 112.595 -168.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.92 153.15 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.121 1.368 . . . . 0.0 113.359 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -94.07 -13.04 27.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.075 1.75 . . . . 0.0 113.67 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -122.38 -14.86 7.77 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.37 -175.28 4.65 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 112.398 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -83.21 2.7 34.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.855 1.262 . . . . 0.0 114.36 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.44 145.95 55.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.209 1.004 . . . . 0.0 113.495 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.4 p -150.01 150.04 31.21 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 111.676 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -153.6 168.66 25.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.833 0.853 . . . . 0.0 112.432 174.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.05 138.7 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.43 1.092 . . . . 0.0 109.472 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.323 15.2 t 58.1 139.28 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 129.052 2.941 . . . . 0.0 116.214 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.34 -21.86 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.698 1.199 . . . . 0.0 112.433 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.79 -40.32 92.18 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.018 0.826 . . . . 0.0 112.129 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.44 -40.36 70.44 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.292 0.637 . . . . 0.0 111.206 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -42.91 99.71 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.594 -0.691 . . . . 0.0 112.436 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.09 -42.99 91.78 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.798 0.839 . . . . 0.0 111.08 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -64.15 -37.59 88.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.251 1.02 . . . . 0.0 112.484 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -61.2 -48.29 82.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.75 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.56 -40.52 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.857 0.753 . . . . 0.0 111.078 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.11 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.998 0.919 . . . . 0.0 111.047 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -75.45 -35.27 60.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -172.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -108.27 -24.62 11.42 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.536 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -115.27 142.01 47.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.662 1.185 . . . . 0.0 112.218 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.75 150.25 41.82 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.916 1.287 . . . . 0.0 112.903 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.3 p -86.8 -12.44 48.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.431 1.492 . . . . 0.0 113.799 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -127.01 -13.98 5.62 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -146.05 -172.89 4.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.352 1.061 . . . . 0.0 112.998 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -82.59 -2.87 55.05 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.214 1.405 . . . . 0.0 113.564 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.55 147.0 50.39 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.914 -1.116 . . . . 0.0 113.391 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.3 p -148.32 152.62 37.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.402 1.081 . . . . 0.0 112.614 169.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -148.13 163.05 38.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.503 1.121 . . . . 0.0 113.312 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.2 mt -77.45 135.33 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.146 0.978 . . . . 0.0 109.004 171.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.8 m 64.69 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.214 2.206 . . . . 0.0 114.437 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -63.56 -27.01 68.96 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.689 -1.257 . . . . 0.0 113.788 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.44 -22.82 66.8 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.24 -41.68 21.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.93 0.892 . . . . 0.0 111.153 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.31 -38.05 76.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.161 0.984 . . . . 0.0 112.057 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -49.23 -46.92 46.6 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.588 1.155 . . . . 0.0 111.753 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.11 -34.27 77.26 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.145 0.978 . . . . 0.0 112.854 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -60.47 -41.84 95.01 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.07 0.85 . . . . 0.0 111.245 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.98 -38.66 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.408 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mm -62.54 -45.72 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.695 1.134 . . . . 0.0 111.12 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -74.25 -40.3 62.47 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.13 -19.65 12.96 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.794 1.238 . . . . 0.0 112.562 -169.83 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -99.66 147.07 25.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.44 1.096 . . . . 0.0 112.87 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.78 147.56 49.49 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.722 1.609 . . . . 0.0 112.347 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -82.59 -11.75 58.2 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.61 1.164 . . . . 0.0 113.116 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -127.45 -13.02 5.53 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.03 -171.11 3.82 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.017 1.327 . . . . 0.0 112.51 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -84.87 -1.14 56.15 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.981 1.312 . . . . 0.0 113.758 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -62.36 150.09 40.51 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.861 -1.149 . . . . 0.0 113.086 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -146.99 157.22 43.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.428 1.091 . . . . 0.0 113.241 174.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -145.1 154.92 42.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.077 1.351 . . . . 0.0 114.409 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.75 129.9 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 167.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 64.55 154.16 0.06 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.482 1.913 . . . . 0.0 113.855 -167.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.74 -24.33 60.95 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.394 -0.817 . . . . 0.0 112.85 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -62.41 -42.5 99.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.846 0.858 . . . . 0.0 112.01 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -69.64 -25.86 64.13 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.782 0.833 . . . . 0.0 112.83 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -77.24 -41.52 40.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.246 1.018 . . . . 0.0 112.877 172.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.34 -43.5 92.76 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.284 -0.885 . . . . 0.0 112.19 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -64.01 -32.99 74.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.792 0.723 . . . . 0.0 112.946 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -64.48 -48.05 76.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.011 0.823 . . . . 0.0 111.619 170.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -62.1 -38.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.529 -0.732 . . . . 0.0 111.333 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.07 -52.43 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.886 0.874 . . . . 0.0 110.921 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -75.65 -31.97 60.03 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -172.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -107.35 -23.29 12.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -172.552 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -124.43 141.51 52.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.982 1.313 . . . . 0.0 111.82 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -66.9 153.23 44.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 113.318 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -90.52 -23.03 21.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.701 1.601 . . . . 0.0 112.708 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -115.76 -12.62 11.47 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.62 -172.13 3.96 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.978 1.311 . . . . 0.0 112.29 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -87.1 2.77 48.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 114.121 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.04 148.14 50.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.359 1.064 . . . . 0.0 113.472 -178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -146.22 151.76 38.11 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 112.337 170.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.8 p -149.83 152.69 35.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.826 1.25 . . . . 0.0 112.347 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.72 137.14 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.936 -0.478 . . . . 0.0 111.09 169.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m 63.26 130.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.26 2.224 . . . . 0.0 114.231 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -64.44 -19.27 65.44 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.19 -35.3 80.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 0.0 112.346 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -66.14 -40.84 90.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.457 0.703 . . . . 0.0 110.974 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.41 -40.02 89.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.26 0.624 . . . . 0.0 111.99 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -59.87 -43.17 94.87 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 111.315 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -65.44 -30.24 71.01 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -67.17 -48.01 69.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.537 1.062 . . . . 0.0 111.093 168.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.2 t -64.94 -35.03 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.566 1.146 . . . . 0.0 112.033 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.31 -47.74 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.833 1.253 . . . . 0.0 111.692 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -88.9 -42.55 11.77 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.64 -22.74 18.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.932 1.293 . . . . 0.0 113.744 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 . . . . . 0 CA--C 1.546 0.8 0 C-N-CA 125.109 1.364 . . . . 0.0 112.927 178.383 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -108.8 141.04 41.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.181 1.392 . . . . 0.0 112.107 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.42 145.9 55.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.631 1.172 . . . . 0.0 112.557 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.4 m -82.08 -12.7 58.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.768 1.227 . . . . 0.0 113.244 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.61 -12.82 4.33 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -169.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.69 -174.13 4.4 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.486 1.114 . . . . 0.0 112.929 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -78.3 -6.15 54.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 114.116 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.12 141.55 58.08 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.079 -1.013 . . . . 0.0 113.497 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -153.03 147.93 26.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.744 1.218 . . . . 0.0 111.876 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -154.27 172.11 18.17 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.992 0.917 . . . . 0.0 112.689 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 pt -74.62 149.07 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.24 1.016 . . . . 0.0 111.133 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 60.54 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.378 2.271 . . . . 0.0 115.102 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -60.44 -23.91 64.79 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -65.51 -34.83 79.19 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.987 0.812 . . . . 0.0 112.336 172.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.7 m -69.74 -37.84 76.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.314 -0.866 . . . . 0.0 111.308 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.65 -40.18 96.19 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.702 -0.623 . . . . 0.0 112.143 171.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.77 -42.78 94.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.29 -0.881 . . . . 0.0 111.489 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -62.99 -39.12 93.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.912 0.885 . . . . 0.0 112.412 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -58.86 -47.27 85.5 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.054 0.843 . . . . 0.0 111.672 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.89 -37.95 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.903 0.774 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.47 -43.6 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.21 1.004 . . . . 0.0 111.674 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.66 -37.11 14.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -105.38 -10.05 17.21 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -169.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 124.137 0.975 . . . . 0.0 111.903 176.825 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -121.57 140.5 52.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.091 1.356 . . . . 0.0 111.997 -168.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.56 149.61 50.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.674 1.19 . . . . 0.0 113.283 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -91.08 -12.1 36.64 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.292 1.437 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -125.36 -12.0 6.83 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.95 -170.81 3.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.989 1.316 . . . . 0.0 112.332 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -84.86 -2.09 57.34 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.179 1.392 . . . . 0.0 113.951 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -62.97 148.03 48.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.337 1.055 . . . . 0.0 113.694 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.3 p -147.67 153.59 39.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.05 1.34 . . . . 0.0 111.961 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -149.98 159.56 44.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.159 0.984 . . . . 0.0 112.248 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 pt -74.8 133.59 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.376 0.67 . . . . 0.0 110.929 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 65.26 134.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.588 1.955 . . . . 0.0 114.438 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.1 -24.16 67.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.61 -32.8 74.36 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.285 0.948 . . . . 0.0 112.672 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.69 -28.36 63.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.937 0.895 . . . . 0.0 111.888 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.46 -42.59 52.86 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.887 0.875 . . . . 0.0 111.767 168.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.37 -44.56 84.52 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.921 0.888 . . . . 0.0 111.959 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.05 -34.35 78.21 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.44 -47.54 83.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.108 0.867 . . . . 0.0 111.309 170.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.24 -41.23 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.647 -0.658 . . . . 0.0 111.232 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -62.66 -43.28 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.112 0.965 . . . . 0.0 111.979 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -85.24 -30.73 23.59 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -108.78 -18.63 13.66 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 . . . . . 0 CA--C 1.543 0.705 0 C-N-CA 124.497 1.119 . . . . 0.0 113.268 -170.618 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -119.79 143.96 47.56 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.256 1.022 . . . . 0.0 112.792 -169.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.93 151.13 43.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.865 1.266 . . . . 0.0 112.79 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -87.85 -12.63 44.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.621 1.568 . . . . 0.0 113.802 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -127.52 -14.7 5.2 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.63 -174.3 4.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.284 1.034 . . . . 0.0 112.895 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -82.52 -1.29 50.09 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.004 1.321 . . . . 0.0 113.479 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.28 146.88 49.81 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.868 -1.145 . . . . 0.0 113.249 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -144.63 156.57 44.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.94 1.296 . . . . 0.0 112.448 171.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -143.33 162.02 36.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.087 1.355 . . . . 0.0 111.807 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 tt -82.3 -1.52 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.281 1.032 . . . . 0.0 113.572 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -141.94 151.81 42.93 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.318 1.047 . . . . 0.0 111.976 169.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -66.17 -24.94 66.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.379 0.672 . . . . 0.0 112.454 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.39 -44.01 79.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.834 1.254 . . . . 0.0 111.947 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.74 -38.56 73.55 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.411 0.684 . . . . 0.0 112.305 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.3 -38.34 83.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.592 -0.692 . . . . 0.0 112.335 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.5 -42.11 86.86 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.342 -0.849 . . . . 0.0 111.772 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.5 mtm-85 -65.93 -34.1 77.34 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.999 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -62.17 -47.57 83.92 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.62 1.1 . . . . 0.0 111.221 169.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.01 -39.42 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.48 -0.762 . . . . 0.0 111.809 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.35 -43.87 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.058 0.943 . . . . 0.0 111.525 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.32 -35.39 41.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -108.02 -24.36 11.63 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -169.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -147.57 164.79 32.34 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.325 1.45 . . . . 0.0 112.455 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -143.96 160.74 40.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.528 1.531 . . . . 0.0 112.232 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.7 -172.57 45.58 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.424 1.011 . . . . 0.0 113.668 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -76.09 163.23 27.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.11 1.364 . . . . 0.0 113.387 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -73.65 168.59 19.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.325 1.45 . . . . 0.0 113.386 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.06 158.49 33.94 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.467 1.032 . . . . 0.0 114.32 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -63.68 133.76 54.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -172.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.07 153.93 49.29 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.008 2.123 . . . . 0.0 109.077 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -86.02 125.46 33.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.042 0.937 . . . . 0.0 109.516 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.45 143.16 26.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.235 1.014 . . . . 0.0 113.356 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -56.1 148.98 16.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 113.45 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 m -74.98 -17.39 60.55 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.815 1.246 . . . . 0.0 113.522 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -133.36 -9.38 2.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.6 -168.76 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.737 1.153 . . . . 0.0 113.469 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -89.02 0.83 56.34 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.584 1.554 . . . . 0.0 114.412 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.91 153.38 37.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.074 0.95 . . . . 0.0 112.458 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -146.96 152.85 39.32 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.139 0.976 . . . . 0.0 113.223 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -143.89 170.85 15.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.79 1.236 . . . . 0.0 113.391 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 pt -82.69 125.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.753 1.221 . . . . 0.0 110.81 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 p 59.56 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.302 2.241 . . . . 0.0 115.85 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.87 -27.81 68.5 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.104 169.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.88 -28.76 69.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.445 1.498 . . . . 0.0 113.089 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.64 -43.33 12.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.459 0.572 . . . . 0.0 111.369 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.52 -37.57 73.22 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -58.09 -31.79 67.45 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.397 -0.814 . . . . 0.0 113.074 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -66.31 -37.95 86.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.257 1.023 . . . . 0.0 112.09 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.73 -44.85 96.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.552 0.614 . . . . 0.0 111.237 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.97 -37.85 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.52 -0.738 . . . . 0.0 111.855 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.34 -44.57 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.716 1.207 . . . . 0.0 111.724 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -87.93 -34.89 17.96 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.447 1.276 . . . . 0.0 114.447 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -104.96 -13.09 15.9 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -169.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -133.36 166.17 23.13 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.327 1.051 . . . . 0.0 113.558 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.0 m -76.88 96.79 4.4 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.415 1.086 . . . . 0.0 109.801 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.38 47.87 1.32 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.048 1.339 . . . . 0.0 112.467 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.64 167.73 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.447 1.899 . . . . 0.0 112.45 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.961 1.704 . . . . 0.0 111.607 178.294 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -81.39 -23.46 37.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m 54.42 24.09 4.96 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.966 1.706 . . . . 0.0 114.53 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.55 123.09 32.24 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.401 1.001 . . . . 0.0 112.886 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 55.85 19.65 3.65 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.924 1.69 . . . . 0.0 115.063 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -83.55 175.82 9.49 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.81 1.244 . . . . 0.0 112.19 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 35.08 0.41 Allowed Glycine 0 CA--C 1.539 1.532 0 C-N-CA 126.829 2.157 . . . . 0.0 115.449 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -83.71 162.75 20.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.647 1.579 . . . . 0.0 111.017 173.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.27 139.82 39.91 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.462 -0.774 . . . . 0.0 111.228 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.07 145.92 48.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.143 1.777 . . . . 0.0 109.111 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -117.96 143.62 46.21 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.617 1.167 . . . . 0.0 112.198 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.89 145.9 51.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 112.1 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -85.99 -14.11 45.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.546 1.138 . . . . 0.0 113.255 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -112.96 -22.58 10.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.717 1.207 . . . . 0.0 114.003 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.95 -171.15 3.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.696 1.198 . . . . 0.0 112.952 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -84.24 -0.86 53.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.064 1.346 . . . . 0.0 114.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.94 151.87 44.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.244 1.017 . . . . 0.0 113.46 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -144.52 155.1 43.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.678 172.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -143.54 156.53 44.63 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.091 1.356 . . . . 0.0 111.393 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.05 126.98 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 121.802 -0.561 . . . . 0.0 109.904 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 63.94 145.17 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.793 2.037 . . . . 0.0 114.844 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -63.6 -26.52 68.73 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.972 -1.08 . . . . 0.0 112.628 169.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -67.74 -24.77 65.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.09 1.356 . . . . 0.0 113.098 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -90.61 -40.0 12.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.441 0.696 . . . . 0.0 111.933 169.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -54.7 -35.85 64.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.006 . . . . 0.0 113.21 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -53.83 -32.64 53.55 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -68.3 -35.91 78.54 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.095 0.958 . . . . 0.0 112.558 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -64.0 -43.31 96.06 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.18 0.592 . . . . 0.0 111.306 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.03 -41.48 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.797 -0.564 . . . . 0.0 111.054 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.38 -43.42 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.469 1.108 . . . . 0.0 111.374 173.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -75.8 -41.07 53.85 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -108.55 -20.96 12.92 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -134.12 32.75 3.42 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.57 1.148 . . . . 0.0 112.991 -169.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.9 t -57.49 140.42 50.7 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.188 0.995 . . . . 0.0 113.225 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -77.3 -10.06 59.2 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.895 1.278 . . . . 0.0 113.228 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.48 -27.37 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.594 1.158 . . . . 0.0 112.387 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.334 1.853 . . . . 0.0 112.603 -176.646 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -135.16 156.0 49.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.442 1.497 . . . . 0.0 112.175 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -65.93 150.76 48.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.547 1.139 . . . . 0.0 113.038 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 -179.73 47.9 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.69 1.138 . . . . 0.0 113.412 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -67.2 147.63 52.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.589 1.155 . . . . 0.0 113.14 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -76.05 -9.92 59.0 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.63 -176.79 42.36 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.855 1.693 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -131.95 147.13 52.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.856 1.262 . . . . 0.0 112.111 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.52 145.17 40.74 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.252 1.421 . . . . 0.0 111.915 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -119.59 133.12 55.8 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.645 1.978 . . . . 0.0 108.749 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 145.02 30.79 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.61 1.164 . . . . 0.0 113.315 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.75 152.03 23.8 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.994 1.717 . . . . 0.0 112.982 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.1 p -81.78 -16.1 52.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.226 1.411 . . . . 0.0 113.634 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -129.02 -11.0 4.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -148.72 -172.76 4.17 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.641 1.177 . . . . 0.0 112.63 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.35 1.25 45.99 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.035 1.334 . . . . 0.0 114.368 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.6 150.34 44.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.224 1.01 . . . . 0.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -146.73 154.75 41.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.298 1.039 . . . . 0.0 112.918 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -143.81 165.54 27.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.895 1.278 . . . . 0.0 112.108 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.13 136.37 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.429 0.692 . . . . 0.0 110.647 173.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 61.72 147.82 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 126.898 2.079 . . . . 0.0 115.06 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -68.22 -26.15 65.57 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.098 -1.001 . . . . 0.0 111.886 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -66.27 -44.44 83.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.805 1.242 . . . . 0.0 112.321 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.74 -32.94 66.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.717 -0.614 . . . . 0.0 112.131 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.54 -30.72 63.41 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.529 1.132 . . . . 0.0 113.249 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.72 -36.1 66.84 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.379 -0.826 . . . . 0.0 112.462 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -63.74 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.588 1.155 . . . . 0.0 111.8 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -62.76 -46.07 89.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.365 0.666 . . . . 0.0 111.456 172.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.71 -36.6 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.471 -0.768 . . . . 0.0 111.476 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.16 -44.15 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.787 1.235 . . . . 0.0 111.715 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -92.49 -32.98 14.67 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.18 -10.52 15.4 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -168.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -126.33 147.44 49.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.384 1.074 . . . . 0.0 112.237 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 p -112.74 6.5 18.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.139 1.775 . . . . 0.0 113.477 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -139.22 163.94 31.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.7 2.0 . . . . 0.0 110.907 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.16 151.4 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.896 1.679 . . . . 0.0 111.507 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.18 1.792 . . . . 0.0 111.886 -179.216 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -148.25 148.58 30.64 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.032 1.333 . . . . 0.0 111.812 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -83.94 -5.35 59.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.928 1.291 . . . . 0.0 113.481 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.19 80.82 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.492 1.044 . . . . 0.0 114.93 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -149.92 161.57 42.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.26 1.824 . . . . 0.0 110.857 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -143.69 163.25 33.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.172 1.389 . . . . 0.0 113.594 -173.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.55 161.83 33.96 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 126.097 1.808 . . . . 0.0 111.65 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -136.62 151.61 49.52 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -169.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.51 143.59 36.45 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.819 1.247 . . . . 0.0 110.813 169.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.01 141.67 51.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.742 1.617 . . . . 0.0 109.141 171.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -110.39 144.47 39.12 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.57 1.148 . . . . 0.0 112.459 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.39 147.43 48.5 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.515 1.526 . . . . 0.0 112.369 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.2 m -85.21 -14.79 45.75 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.4 1.08 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.18 -22.27 10.58 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.706 1.202 . . . . 0.0 114.045 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.91 -172.21 3.94 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.623 1.169 . . . . 0.0 113.137 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -83.92 -0.52 51.75 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.094 1.358 . . . . 0.0 114.495 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.28 149.98 44.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.32 1.048 . . . . 0.0 113.284 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.4 p -146.17 152.88 39.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.627 1.171 . . . . 0.0 112.782 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t -146.34 157.11 43.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.566 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 pt -76.88 134.36 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.727 -0.608 . . . . 0.0 111.049 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m 63.27 134.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.44 1.896 . . . . 0.0 114.61 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -61.08 -31.03 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.463 -1.398 . . . . 0.0 113.784 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.78 -22.78 67.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.285 1.034 . . . . 0.0 113.497 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -87.83 -41.48 13.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.973 0.909 . . . . 0.0 111.478 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.34 -40.56 78.27 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.986 0.915 . . . . 0.0 112.439 174.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.91 -33.57 62.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.177 0.991 . . . . 0.0 112.612 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -68.29 -39.69 82.02 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.863 1.265 . . . . 0.0 111.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -61.4 -44.47 97.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.153 0.581 . . . . 0.0 111.297 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.14 -41.01 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.749 -0.594 . . . . 0.0 111.369 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.1 -44.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.627 1.171 . . . . 0.0 111.687 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.75 -34.0 30.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.99 -16.78 13.75 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -134.26 166.47 22.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.391 1.076 . . . . 0.0 112.856 -173.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 t -154.9 155.29 34.06 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.79 1.236 . . . . 0.0 111.745 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -127.35 10.88 6.84 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.878 1.671 . . . . 0.0 112.228 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.3 pt -133.75 160.24 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.946 1.698 . . . . 0.0 112.546 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.63 1.572 . . . . 0.0 111.753 177.715 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.159 -0.376 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -146.69 163.41 36.01 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.4 1.48 . . . . 0.0 112.41 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -148.45 164.81 33.04 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.356 1.462 . . . . 0.0 112.596 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.12 -163.47 32.9 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.921 1.248 . . . . 0.0 112.9 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -53.15 133.92 38.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.557 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p 47.04 19.51 0.1 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.162 2.185 . . . . 0.0 116.202 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.84 9.77 66.58 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.086 1.327 . . . . 0.0 115.43 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -147.36 119.4 8.22 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.289 1.545 . . . . 0.0 112.94 -174.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.45 143.88 27.73 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.49 1.116 . . . . 0.0 109.675 169.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -103.28 122.56 45.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.008 1.323 . . . . 0.0 108.746 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -101.48 143.97 30.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.333 1.053 . . . . 0.0 113.513 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.14 147.96 33.16 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -94.0 0.16 55.85 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.183 1.393 . . . . 0.0 113.757 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -119.97 -24.78 5.98 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.729 1.212 . . . . 0.0 114.13 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.88 -170.74 3.48 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.436 1.094 . . . . 0.0 113.362 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -84.63 -2.76 57.93 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.352 1.461 . . . . 0.0 114.653 -175.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.82 151.4 39.02 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.394 1.078 . . . . 0.0 113.105 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.6 p -144.68 153.64 41.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.291 1.036 . . . . 0.0 113.413 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -144.91 178.71 7.83 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.48 1.512 . . . . 0.0 112.644 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.14 112.59 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.286 1.435 . . . . 0.0 111.608 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 p 59.27 161.14 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.657 2.383 . . . . 0.0 115.598 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -58.35 -26.59 63.3 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -67.82 -26.06 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.812 1.245 . . . . 0.0 113.063 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.37 -39.52 8.76 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.913 0.885 . . . . 0.0 111.7 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.15 -39.53 75.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.881 0.872 . . . . 0.0 113.131 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.29 -29.73 64.12 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.42 -0.8 . . . . 0.0 112.794 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -67.52 -31.66 71.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.893 1.277 . . . . 0.0 112.155 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.54 -44.45 67.48 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.97 0.908 . . . . 0.0 111.024 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.39 -41.86 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.482 0.713 . . . . 0.0 111.448 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.52 -45.28 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.856 1.262 . . . . 0.0 111.724 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -83.88 -32.59 25.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -108.04 -24.15 11.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -172.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -132.78 37.05 3.48 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.796 1.239 . . . . 0.0 112.622 -169.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -62.0 158.29 16.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.64 1.176 . . . . 0.0 112.765 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -66.51 -0.54 2.83 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.81 1.644 . . . . 0.0 115.024 -172.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 tt -71.33 -19.0 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.443 1.497 . . . . 0.0 113.671 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.227 1.411 . . . . 0.0 113.947 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -64.53 -16.98 63.48 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -79.31 -9.26 59.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.564 1.546 . . . . 0.0 114.308 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.14 -166.74 32.11 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.065 1.317 . . . . 0.0 114.921 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 58.44 28.62 17.14 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.019 1.728 . . . . 0.0 115.466 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -60.9 128.24 35.52 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.939 -1.1 . . . . 0.0 111.647 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 8.5 84.29 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.587 1.089 . . . . 0.0 115.221 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -84.18 -174.9 5.54 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.048 1.339 . . . . 0.0 112.109 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.34 128.02 34.08 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.385 1.074 . . . . 0.0 109.254 168.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.78 140.42 43.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.34 1.456 . . . . 0.0 110.41 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -94.84 147.09 23.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.209 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.41 151.92 22.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.293 1.837 . . . . 0.0 112.699 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 p -81.83 -12.92 58.28 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.094 1.358 . . . . 0.0 113.637 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -129.55 -12.43 4.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -147.0 -174.0 4.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.397 1.079 . . . . 0.0 112.997 176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -84.9 -0.46 54.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 114.013 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 149.06 38.88 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.016 -1.052 . . . . 0.0 112.726 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -145.2 149.57 35.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.161 0.984 . . . . 0.0 113.007 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -148.14 161.02 42.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.028 1.331 . . . . 0.0 111.902 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.18 132.53 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.378 -0.826 . . . . 0.0 111.165 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 6.5 t 56.29 150.02 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.312 2.645 . . . . 0.0 116.819 -172.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -63.76 -27.21 69.03 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.52 -1.362 . . . . 0.0 112.607 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -64.67 -24.58 67.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.05 0.94 . . . . 0.0 113.14 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 t -89.29 -43.51 10.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.831 0.741 . . . . 0.0 111.301 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.96 -36.99 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.785 0.834 . . . . 0.0 113.111 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -58.77 -31.84 68.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.91 0.884 . . . . 0.0 112.49 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -67.93 -40.4 83.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.447 1.099 . . . . 0.0 111.334 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -60.96 -44.36 97.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.341 0.656 . . . . 0.0 111.405 170.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.54 -37.07 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.597 -0.689 . . . . 0.0 111.861 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.09 -44.67 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.545 1.138 . . . . 0.0 111.79 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -84.96 -34.93 22.33 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -110.02 -12.9 14.48 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.71 173.45 11.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.721 1.209 . . . . 0.0 112.768 -174.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 m -74.87 35.33 0.1 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.319 1.847 . . . . 0.0 115.193 -170.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.95 -30.04 71.01 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.199 1.4 . . . . 0.0 111.812 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 pt -124.49 153.38 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.615 1.966 . . . . 0.0 110.761 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.255 1.384 0 C-N-CA 126.392 1.877 . . . . 0.0 111.613 -177.666 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -125.67 153.44 43.84 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.636 1.575 . . . . 0.0 112.337 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -66.91 146.49 54.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.269 1.028 . . . . 0.0 113.509 -176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.12 168.37 31.04 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.331 1.443 . . . . 0.0 112.89 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -80.73 -33.08 35.48 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -135.47 -6.35 2.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.389 1.476 . . . . 0.0 114.586 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.39 -169.76 41.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.916 1.722 . . . . 0.0 111.659 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -72.29 138.92 47.73 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 122.005 -0.703 . . . . 0.0 112.525 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.87 143.9 27.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.803 1.241 . . . . 0.0 111.106 172.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -134.26 154.21 51.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.685 1.994 . . . . 0.0 110.249 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.05 143.05 50.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.806 0.842 . . . . 0.0 112.987 -168.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.76 151.34 47.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.531 1.132 . . . . 0.0 112.591 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -98.94 -12.63 20.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.159 1.384 . . . . 0.0 112.904 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -109.67 -18.58 13.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.978 1.311 . . . . 0.0 113.305 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -148.01 -171.55 3.85 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.498 1.519 . . . . 0.0 111.994 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -88.5 8.41 28.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.079 1.352 . . . . 0.0 114.098 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -64.51 145.8 55.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.948 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 m -126.37 140.41 52.52 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.728 2.011 . . . . 0.0 110.504 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.32 147.15 41.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.294 1.037 . . . . 0.0 112.55 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.19 122.8 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.539 1.136 . . . . 0.0 108.928 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m 65.65 136.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.728 2.011 . . . . 0.0 113.225 -168.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.495 -1.378 . . . . 0.0 114.348 -169.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -61.67 -38.39 87.59 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.062 -1.024 . . . . 0.0 112.704 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.59 -36.77 83.43 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.781 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.8 -42.21 95.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.49 0.716 . . . . 0.0 112.394 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.87 -42.26 93.34 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.347 -0.846 . . . . 0.0 111.431 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.37 -38.8 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.667 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -58.51 -48.22 81.56 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.499 1.045 . . . . 0.0 111.77 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.73 -38.64 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.374 -0.829 . . . . 0.0 111.703 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.97 -41.94 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.394 1.077 . . . . 0.0 111.825 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.59 -32.59 15.45 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -107.5 -12.03 15.37 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -169.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -127.69 149.65 50.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.392 1.077 . . . . 0.0 112.257 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -156.04 -46.22 0.08 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.682 1.193 . . . . 0.0 112.077 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -137.34 146.25 44.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.623 1.569 . . . . 0.0 110.345 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -131.11 140.5 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.99 1.716 . . . . 0.0 109.905 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.616 1.566 . . . . 0.0 114.556 -177.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -66.51 151.83 46.44 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.541 1.136 . . . . 0.0 113.149 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -148.7 162.93 38.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.159 1.384 . . . . 0.0 112.015 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.65 -178.24 52.17 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.122 1.344 . . . . 0.0 114.771 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t 61.22 169.07 0.1 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.705 2.002 . . . . 0.0 114.849 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -156.47 150.54 25.16 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.481 1.512 . . . . 0.0 111.838 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.44 -172.01 39.36 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.99 1.281 . . . . 0.0 114.562 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -92.0 121.87 33.98 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.89 0.876 . . . . 0.0 111.907 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.77 129.62 36.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.857 0.863 . . . . 0.0 110.464 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -102.21 139.7 37.47 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.851 1.66 . . . . 0.0 109.675 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -109.52 141.71 41.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.944 1.298 . . . . 0.0 112.437 -169.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -66.42 151.13 47.81 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.319 1.448 . . . . 0.0 113.424 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -88.43 -12.91 41.78 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.326 1.45 . . . . 0.0 113.4 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -125.61 -13.46 6.49 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.09 -175.58 4.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.848 1.259 . . . . 0.0 112.437 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -82.92 1.85 37.51 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.64 150.08 49.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.397 1.079 . . . . 0.0 113.473 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -147.17 151.74 37.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.558 1.143 . . . . 0.0 112.144 169.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -148.78 156.45 42.36 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tp -67.52 126.79 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.758 1.223 . . . . 0.0 110.495 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 64.78 146.42 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.517 2.327 . . . . 0.0 115.24 -169.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -67.81 -20.27 65.16 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.7 -47.8 82.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.82 0.848 . . . . 0.0 111.014 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.45 -37.21 85.03 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.607 -0.683 . . . . 0.0 111.589 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.85 -42.26 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 112.517 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -59.46 -41.61 90.08 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.425 -0.797 . . . . 0.0 111.254 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -64.6 -37.56 88.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.567 174.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.3 -48.4 81.75 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.367 0.985 . . . . 0.0 111.793 169.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.81 -45.09 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.807 0.73 . . . . 0.0 110.899 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.28 -42.17 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.313 1.045 . . . . 0.0 111.647 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -80.97 -37.06 29.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -109.38 -20.63 12.85 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -123.53 -25.58 4.35 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m 60.64 178.67 0.1 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.625 1.97 . . . . 0.0 114.8 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.33 136.37 53.31 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.114 -0.991 . . . . 0.0 111.225 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 tt -86.87 142.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.568 1.147 . . . . 0.0 112.305 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.655 1.582 . . . . 0.0 112.057 -178.534 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -73.74 -19.95 60.65 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 m -136.81 151.96 49.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.711 1.604 . . . . 0.0 111.766 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.08 -2.92 87.9 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -62.64 144.52 56.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.17 1.388 . . . . 0.0 113.386 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -78.23 157.61 29.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.679 1.192 . . . . 0.0 112.775 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.53 -141.92 46.31 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.867 0.746 . . . . 0.0 113.132 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -141.71 143.67 33.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.942 1.297 . . . . 0.0 110.479 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.54 139.55 30.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.98 0.912 . . . . 0.0 111.657 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.63 141.73 51.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.914 1.686 . . . . 0.0 109.769 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -107.34 145.89 32.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.826 1.25 . . . . 0.0 112.472 -170.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.38 148.4 23.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.971 1.708 . . . . 0.0 113.293 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -80.16 -10.2 59.75 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.159 1.384 . . . . 0.0 113.578 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.53 -18.0 3.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -145.09 -168.87 3.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.903 1.228 . . . . 0.0 113.591 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.61 -2.48 58.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.538 1.535 . . . . 0.0 114.392 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.64 151.59 37.65 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.114 0.966 . . . . 0.0 112.915 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.9 p -146.29 155.44 42.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.314 1.046 . . . . 0.0 112.96 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -143.61 159.29 42.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.875 1.27 . . . . 0.0 111.795 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 pt -72.4 127.66 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.407 0.683 . . . . 0.0 110.714 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.342 2.1 t 55.39 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.689 2.796 . . . . 0.0 116.445 -168.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -24.81 66.86 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.986 1.314 . . . . 0.0 114.406 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.32 -35.58 76.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.648 0.779 . . . . 0.0 112.092 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m -77.95 -31.36 50.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.992 0.917 . . . . 0.0 112.096 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.55 -33.17 73.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.636 1.574 . . . . 0.0 113.203 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -52.49 -37.53 57.51 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.948 0.795 . . . . 0.0 112.523 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -61.25 -33.42 73.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.417 . . . . 0.0 112.841 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -69.73 -47.34 63.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 110.783 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -62.01 -42.31 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.51 0.724 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.21 -41.56 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.546 1.538 . . . . 0.0 111.992 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -91.04 -31.47 16.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.43 -19.99 13.52 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -132.48 168.18 18.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.249 1.02 . . . . 0.0 113.17 -170.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 m -70.58 149.37 47.17 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 112.99 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -78.11 -29.5 48.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.556 0.742 . . . . 0.0 112.888 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 tp -75.55 144.63 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.011 1.325 . . . . 0.0 111.804 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.457 1.903 . . . . 0.0 113.316 -179.61 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -63.66 -21.5 66.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 p -71.93 -28.42 63.46 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.766 1.226 . . . . 0.0 113.344 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.74 -30.98 8.06 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.044 1.307 . . . . 0.0 114.103 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -121.7 99.88 6.7 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.239 1.416 . . . . 0.0 111.644 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -72.26 148.85 45.06 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.321 1.048 . . . . 0.0 112.884 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.81 164.59 54.82 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.237 0.922 . . . . 0.0 114.318 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.273 18.1 p-80 49.47 28.26 2.37 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 116.916 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.1 mt -81.32 138.75 35.66 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.429 1.092 . . . . 0.0 111.677 170.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -122.44 149.01 44.43 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.719 2.008 . . . . 0.0 109.239 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.51 136.12 53.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.1 0.96 . . . . 0.0 112.413 -169.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.77 125.76 25.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.61 1.564 . . . . 0.0 111.409 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -71.05 -13.91 62.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.239 0.615 . . . . 0.0 112.65 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.95 -35.58 11.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.963 1.305 . . . . 0.0 112.897 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.64 3.42 1.47 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . 0.252 22.8 t60 60.84 15.2 5.76 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -56.77 135.42 55.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.901 -1.124 . . . . 0.0 110.664 168.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -103.73 141.86 35.35 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.436 1.095 . . . . 0.0 113.037 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -143.79 154.01 42.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.589 1.156 . . . . 0.0 112.001 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 pp -77.07 122.34 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.788 . . . . 0.0 110.418 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p 62.27 156.17 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.347 1.859 . . . . 0.0 115.028 -169.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -67.44 -26.77 66.56 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.034 -1.041 . . . . 0.0 112.644 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -67.08 -36.57 82.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.924 0.89 . . . . 0.0 112.571 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.18 -37.55 57.73 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.445 -0.784 . . . . 0.0 111.83 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.43 -39.12 86.34 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.633 -0.667 . . . . 0.0 112.651 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.58 -32.86 72.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.098 -1.001 . . . . 0.0 112.358 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.8 mtt85 -67.06 -32.04 72.95 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.173 0.989 . . . . 0.0 112.905 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -66.45 -46.63 75.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.117 0.871 . . . . 0.0 110.448 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.67 -44.28 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.822 -0.548 . . . . 0.0 111.399 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.11 -41.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.884 1.274 . . . . 0.0 112.098 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.21 -31.69 20.18 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.94 -19.36 13.65 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -131.9 163.82 27.47 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.116 0.967 . . . . 0.0 113.078 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -90.35 -15.87 30.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 -173.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -78.52 136.87 37.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.435 1.094 . . . . 0.0 112.593 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 pt -84.03 -16.46 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.32 1.048 . . . . 0.0 113.494 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.254 1.31 0 C-N-CA 128.16 2.584 . . . . 0.0 110.146 -176.264 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m 53.87 39.82 30.84 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.935 1.294 . . . . 0.0 113.154 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -142.11 156.84 45.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.175 1.79 . . . . 0.0 112.536 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.96 -151.06 46.92 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.268 0.937 . . . . 0.0 114.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m 56.38 37.4 28.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.725 1.61 . . . . 0.0 114.647 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -141.38 158.53 43.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.744 1.617 . . . . 0.0 112.614 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.43 -175.7 43.62 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.854 1.216 . . . . 0.0 113.47 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -87.19 -6.01 58.76 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.18 141.75 35.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.37 1.468 . . . . 0.0 111.711 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -127.14 131.03 50.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.144 1.778 . . . . 0.0 109.462 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.65 145.91 25.4 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.541 1.137 . . . . 0.0 111.926 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.94 144.81 27.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.908 1.683 . . . . 0.0 112.496 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 m -74.25 -14.67 60.95 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.292 1.037 . . . . 0.0 113.187 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.85 -10.08 2.71 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.33 -166.64 2.53 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.514 1.125 . . . . 0.0 113.093 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -88.19 -0.64 57.33 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.495 1.518 . . . . 0.0 114.363 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.07 154.14 31.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.163 0.985 . . . . 0.0 112.748 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 t -147.8 143.27 27.37 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.912 1.285 . . . . 0.0 111.656 176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -144.11 158.29 43.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.618 1.167 . . . . 0.0 112.367 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.25 130.21 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.715 0.806 . . . . 0.0 109.239 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.313 13.0 t 53.69 135.4 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.827 2.851 . . . . 0.0 117.205 -172.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -53.84 -28.96 38.91 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.46 1.504 . . . . 0.0 113.515 169.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -64.8 -32.58 74.33 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.002 0.921 . . . . 0.0 112.905 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.65 -34.69 16.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.797 0.839 . . . . 0.0 112.166 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.49 -36.77 76.68 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.115 1.366 . . . . 0.0 113.062 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -51.53 -36.25 44.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.25 1.02 . . . . 0.0 112.7 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -39.6 93.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.388 1.475 . . . . 0.0 112.683 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -63.4 -43.22 98.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.848 0.859 . . . . 0.0 110.876 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.25 -36.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.638 -0.664 . . . . 0.0 111.651 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.82 -46.62 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.532 1.133 . . . . 0.0 111.623 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -86.46 -46.03 10.58 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -87.7 -21.59 25.13 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -171.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -123.98 173.69 8.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.93 1.292 . . . . 0.0 112.245 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 m -74.36 11.86 0.88 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -171.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.32 52.27 1.57 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 112.437 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -89.98 -18.63 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 125.628 1.571 . . . . 0.0 113.023 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.355 1.862 . . . . 0.0 112.668 -178.441 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -66.56 149.18 50.85 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.579 1.152 . . . . 0.0 113.061 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -75.47 -37.96 59.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.253 1.021 . . . . 0.0 112.767 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.65 154.68 32.85 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.951 1.263 . . . . 0.0 112.862 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 p -76.38 155.2 34.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.495 1.118 . . . . 0.0 112.992 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -131.15 1.35 4.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.122 1.369 . . . . 0.0 114.536 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.44 -120.71 1.28 Allowed Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.841 1.686 . . . . 0.0 109.321 -171.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.0 p80 51.35 13.16 0.17 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 168.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.61 139.55 30.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.635 1.574 . . . . 0.0 111.353 172.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -124.38 140.83 52.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.063 1.745 . . . . 0.0 109.553 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -113.55 140.16 48.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.02 1.328 . . . . 0.0 112.002 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.99 148.86 46.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.375 1.47 . . . . 0.0 113.392 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -85.21 -13.68 49.22 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.109 1.363 . . . . 0.0 113.353 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -128.2 -10.38 5.28 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.64 -171.54 3.83 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 0.0 112.583 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -84.65 -2.31 57.31 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.071 1.348 . . . . 0.0 113.849 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.29 150.75 42.49 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.543 1.137 . . . . 0.0 113.666 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.3 p -146.47 151.2 37.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.681 1.192 . . . . 0.0 112.654 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -147.49 164.85 32.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.929 1.292 . . . . 0.0 112.485 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.62 129.94 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.254 0.622 . . . . 0.0 111.402 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 p 61.8 147.26 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.18 2.192 . . . . 0.0 115.507 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -21.4 66.68 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.921 -1.112 . . . . 0.0 113.886 171.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -66.75 -38.11 85.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.95 0.9 . . . . 0.0 112.199 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.62 -43.11 69.94 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.764 -0.585 . . . . 0.0 111.094 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.32 -37.31 82.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.581 0.753 . . . . 0.0 112.754 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.38 -42.05 73.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.911 0.884 . . . . 0.0 111.796 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -67.66 -38.28 83.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.351 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -58.18 -47.8 82.29 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.16 0.891 . . . . 0.0 111.301 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.1 -42.33 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.734 -0.604 . . . . 0.0 111.322 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.19 -43.43 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.011 0.925 . . . . 0.0 111.943 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.54 -31.28 26.48 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -110.09 -16.58 13.76 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -135.66 167.09 21.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.196 0.998 . . . . 0.0 113.489 -171.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m 54.26 23.71 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.015 1.726 . . . . 0.0 115.266 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -92.27 21.66 5.03 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.039 1.735 . . . . 0.0 114.148 -171.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pp -74.36 163.15 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.961 1.304 . . . . 0.0 113.115 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.571 1.949 . . . . 0.0 111.645 -178.098 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.964 -0.454 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -80.6 169.01 18.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.711 1.204 . . . . 0.0 113.143 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -80.38 5.28 15.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.092 1.357 . . . . 0.0 114.498 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 153.12 51.53 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.562 1.077 . . . . 0.0 114.136 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -73.74 145.02 45.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.942 0.897 . . . . 0.0 112.898 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -92.32 -2.08 56.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 113.574 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.66 147.94 51.11 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.411 1.005 . . . . 0.0 113.881 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -85.51 153.1 22.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.301 1.04 . . . . 0.0 112.473 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.32 139.68 37.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.687 0.795 . . . . 0.0 111.594 170.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -123.48 143.73 49.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.405 1.882 . . . . 0.0 109.329 172.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -116.18 141.53 48.02 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.84 1.256 . . . . 0.0 112.089 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.69 149.67 43.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.917 1.287 . . . . 0.0 112.97 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -82.95 -16.51 47.06 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.381 1.472 . . . . 0.0 113.646 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.55 -10.08 4.55 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -148.8 -171.41 3.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.774 1.23 . . . . 0.0 112.42 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -84.04 -1.6 55.1 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.222 1.409 . . . . 0.0 113.496 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.93 151.85 41.52 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.778 -1.201 . . . . 0.0 113.623 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.2 p -144.87 154.44 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.901 1.28 . . . . 0.0 112.283 170.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -143.77 153.95 42.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.605 1.162 . . . . 0.0 112.09 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.99 124.63 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m 64.28 133.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.195 2.198 . . . . 0.0 114.139 -173.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.23 -23.39 64.02 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.25 -24.52 67.91 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.744 1.218 . . . . 0.0 113.354 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.91 -32.75 15.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.778 0.831 . . . . 0.0 112.237 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.73 -42.94 97.82 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.233 -0.917 . . . . 0.0 112.593 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -60.25 -32.44 71.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.275 -0.89 . . . . 0.0 112.383 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -64.41 -40.27 95.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.652 1.181 . . . . 0.0 111.868 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -60.71 -46.31 90.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.37 0.668 . . . . 0.0 111.431 170.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.71 -40.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 121.429 -0.794 . . . . 0.0 111.549 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.07 -39.44 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 0.0 111.96 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -90.0 -32.51 16.74 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -110.25 -16.12 13.82 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -169.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -130.15 163.32 26.89 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.35 1.06 . . . . 0.0 112.93 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -64.51 124.66 22.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.421 0.688 . . . . 0.0 111.766 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -151.94 155.94 39.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.798 1.639 . . . . 0.0 111.135 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 pt -131.91 160.47 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.331 1.452 . . . . 0.0 112.54 -173.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--O 1.254 1.32 0 C-N-CA 127.2 2.2 . . . . 0.0 110.86 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -82.21 -9.32 59.54 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -174.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -65.71 149.29 50.36 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.955 1.302 . . . . 0.0 113.462 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.62 171.99 51.21 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.431 1.015 . . . . 0.0 114.181 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -132.5 152.17 51.64 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.488 1.515 . . . . 0.0 112.177 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -78.0 -9.83 59.31 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -174.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.05 79.74 0.73 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.303 1.43 . . . . 0.0 113.929 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -82.07 60.38 4.84 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.472 1.509 . . . . 0.0 111.462 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.47 140.82 38.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.749 1.219 . . . . 0.0 111.805 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.45 146.5 51.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 110.1 172.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -121.9 142.38 50.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.342 1.457 . . . . 0.0 112.595 -168.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.92 153.15 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.121 1.368 . . . . 0.0 113.359 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -94.07 -13.04 27.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.075 1.75 . . . . 0.0 113.67 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -122.38 -14.86 7.77 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.37 -175.28 4.65 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 112.398 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -83.21 2.7 34.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.855 1.262 . . . . 0.0 114.36 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.44 145.95 55.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.209 1.004 . . . . 0.0 113.495 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.4 p -150.01 150.04 31.21 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 111.676 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -153.6 168.66 25.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.833 0.853 . . . . 0.0 112.432 174.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.05 138.7 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.43 1.092 . . . . 0.0 109.472 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.323 15.2 t 58.1 139.28 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 129.052 2.941 . . . . 0.0 116.214 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.34 -21.86 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.698 1.199 . . . . 0.0 112.433 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.79 -40.32 92.18 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.018 0.826 . . . . 0.0 112.129 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.44 -40.36 70.44 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.292 0.637 . . . . 0.0 111.206 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -42.91 99.71 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.594 -0.691 . . . . 0.0 112.436 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.09 -42.99 91.78 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.798 0.839 . . . . 0.0 111.08 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -64.15 -37.59 88.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.251 1.02 . . . . 0.0 112.484 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -61.2 -48.29 82.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.75 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.56 -40.52 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.857 0.753 . . . . 0.0 111.078 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.11 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.998 0.919 . . . . 0.0 111.047 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -75.45 -35.27 60.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -172.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -108.27 -24.62 11.42 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -124.92 -12.04 7.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 78.3 p 44.69 30.13 0.49 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 127.727 2.411 . . . . 0.0 115.511 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 53.96 27.61 7.59 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.664 1.985 . . . . 0.0 114.812 -173.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -86.17 142.8 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.951 1.301 . . . . 0.0 110.312 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.334 1.854 . . . . 0.0 113.337 176.631 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -66.64 -16.37 64.14 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -78.06 -8.02 57.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.753 1.621 . . . . 0.0 114.27 172.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.26 170.08 45.52 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.82 1.2 . . . . 0.0 114.698 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -145.09 165.61 27.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 111.879 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -146.71 170.39 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.678 1.591 . . . . 0.0 112.164 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.25 -169.49 31.77 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.155 1.36 . . . . 0.0 113.557 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 58.37 20.61 7.49 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.711 1.604 . . . . 0.0 114.334 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.37 149.31 44.0 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.254 1.822 . . . . 0.0 111.336 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -113.17 139.83 48.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.933 1.693 . . . . 0.0 109.171 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -115.27 142.01 47.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.662 1.185 . . . . 0.0 112.218 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.75 150.25 41.82 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.916 1.287 . . . . 0.0 112.903 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.3 p -86.8 -12.44 48.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.431 1.492 . . . . 0.0 113.799 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -127.01 -13.98 5.62 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -146.05 -172.89 4.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.352 1.061 . . . . 0.0 112.998 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -82.59 -2.87 55.05 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.214 1.405 . . . . 0.0 113.564 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.55 147.0 50.39 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.914 -1.116 . . . . 0.0 113.391 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.3 p -148.32 152.62 37.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.402 1.081 . . . . 0.0 112.614 169.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -148.13 163.05 38.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.503 1.121 . . . . 0.0 113.312 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.2 mt -77.45 135.33 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.146 0.978 . . . . 0.0 109.004 171.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.8 m 64.69 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.214 2.206 . . . . 0.0 114.437 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -63.56 -27.01 68.96 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.689 -1.257 . . . . 0.0 113.788 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.44 -22.82 66.8 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.24 -41.68 21.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.93 0.892 . . . . 0.0 111.153 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.31 -38.05 76.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.161 0.984 . . . . 0.0 112.057 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -49.23 -46.92 46.6 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.588 1.155 . . . . 0.0 111.753 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.11 -34.27 77.26 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.145 0.978 . . . . 0.0 112.854 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -60.47 -41.84 95.01 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.07 0.85 . . . . 0.0 111.245 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.98 -38.66 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.408 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mm -62.54 -45.72 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.695 1.134 . . . . 0.0 111.12 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -74.25 -40.3 62.47 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.13 -19.65 12.96 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -134.33 37.14 3.17 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.794 1.238 . . . . 0.0 112.562 -169.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 p -59.51 -24.4 63.61 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -79.38 69.45 5.63 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.955 1.302 . . . . 0.0 111.069 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 tt -133.64 143.26 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.585 1.954 . . . . 0.0 111.106 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.08 1.752 . . . . 0.0 111.697 -176.539 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -148.0 150.63 34.33 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.07 1.348 . . . . 0.0 111.846 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -86.36 -9.98 55.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.197 1.399 . . . . 0.0 113.728 172.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.08 149.31 40.79 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.427 1.013 . . . . 0.0 113.927 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -139.79 145.75 38.6 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.607 1.563 . . . . 0.0 111.71 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -100.88 -11.02 20.13 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.203 1.401 . . . . 0.0 114.711 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.12 144.68 41.68 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.318 0.961 . . . . 0.0 114.046 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -134.65 10.44 3.69 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.511 1.524 . . . . 0.0 113.822 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -80.64 160.77 24.95 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.696 1.598 . . . . 0.0 111.586 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -81.92 127.25 32.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.103 0.961 . . . . 0.0 109.839 169.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -99.66 147.07 25.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.44 1.096 . . . . 0.0 112.87 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.78 147.56 49.49 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.722 1.609 . . . . 0.0 112.347 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -82.59 -11.75 58.2 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.61 1.164 . . . . 0.0 113.116 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -127.45 -13.02 5.53 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.03 -171.11 3.82 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.017 1.327 . . . . 0.0 112.51 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -84.87 -1.14 56.15 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.981 1.312 . . . . 0.0 113.758 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -62.36 150.09 40.51 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.861 -1.149 . . . . 0.0 113.086 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -146.99 157.22 43.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.428 1.091 . . . . 0.0 113.241 174.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -145.1 154.92 42.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.077 1.351 . . . . 0.0 114.409 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.75 129.9 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 167.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 64.55 154.16 0.06 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.482 1.913 . . . . 0.0 113.855 -167.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.74 -24.33 60.95 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.394 -0.817 . . . . 0.0 112.85 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -62.41 -42.5 99.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.846 0.858 . . . . 0.0 112.01 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -69.64 -25.86 64.13 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.782 0.833 . . . . 0.0 112.83 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -77.24 -41.52 40.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.246 1.018 . . . . 0.0 112.877 172.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.34 -43.5 92.76 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.284 -0.885 . . . . 0.0 112.19 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -64.01 -32.99 74.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.792 0.723 . . . . 0.0 112.946 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -64.48 -48.05 76.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.011 0.823 . . . . 0.0 111.619 170.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -62.1 -38.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.529 -0.732 . . . . 0.0 111.333 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.07 -52.43 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.886 0.874 . . . . 0.0 110.921 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -75.65 -31.97 60.03 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -172.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -107.35 -23.29 12.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -126.47 -26.15 3.34 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -172.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -80.73 147.9 30.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.171 0.896 . . . . 0.0 112.101 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -82.7 56.09 3.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.585 1.154 . . . . 0.0 112.689 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pp -114.32 2.31 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.54 1.536 . . . . 0.0 114.111 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.897 1.679 . . . . 0.0 112.566 -179.789 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m 62.04 165.18 0.1 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.869 2.068 . . . . 0.0 115.415 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -87.78 174.08 8.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.957 1.303 . . . . 0.0 112.852 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.36 173.35 49.11 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.649 1.595 . . . . 0.0 114.74 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -149.73 169.16 21.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.956 1.702 . . . . 0.0 112.08 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -128.34 158.79 37.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.406 1.482 . . . . 0.0 113.018 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.2 171.74 38.74 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.661 1.124 . . . . 0.0 114.168 -175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -81.6 61.9 5.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.911 1.284 . . . . 0.0 111.933 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.66 139.15 49.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 113.038 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -126.28 149.17 49.3 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.016 2.127 . . . . 0.0 109.662 169.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -124.43 141.51 52.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.982 1.313 . . . . 0.0 111.82 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -66.9 153.23 44.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 113.318 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -90.52 -23.03 21.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.701 1.601 . . . . 0.0 112.708 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -115.76 -12.62 11.47 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.62 -172.13 3.96 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.978 1.311 . . . . 0.0 112.29 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -87.1 2.77 48.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 114.121 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.04 148.14 50.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.359 1.064 . . . . 0.0 113.472 -178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -146.22 151.76 38.11 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 112.337 170.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.8 p -149.83 152.69 35.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.826 1.25 . . . . 0.0 112.347 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.72 137.14 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.936 -0.478 . . . . 0.0 111.09 169.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m 63.26 130.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.26 2.224 . . . . 0.0 114.231 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -64.44 -19.27 65.44 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.19 -35.3 80.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 0.0 112.346 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -66.14 -40.84 90.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.457 0.703 . . . . 0.0 110.974 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.41 -40.02 89.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.26 0.624 . . . . 0.0 111.99 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -59.87 -43.17 94.87 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 111.315 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -65.44 -30.24 71.01 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -67.17 -48.01 69.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.537 1.062 . . . . 0.0 111.093 168.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.2 t -64.94 -35.03 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.566 1.146 . . . . 0.0 112.033 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.31 -47.74 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.833 1.253 . . . . 0.0 111.692 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -88.9 -42.55 11.77 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.64 -22.74 18.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.932 1.293 . . . . 0.0 113.744 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -121.36 17.8 11.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.109 1.364 . . . . 0.0 112.927 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.9 p 48.13 37.18 7.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.237 2.215 . . . . 0.0 115.714 170.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -66.25 -9.92 37.11 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pp -87.11 -6.15 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.514 1.526 . . . . 0.0 114.96 174.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.98 1.712 . . . . 0.0 112.449 -176.79 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -78.13 159.16 28.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 113.341 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -69.42 151.74 45.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.681 1.192 . . . . 0.0 113.224 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 164.38 52.35 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.362 0.982 . . . . 0.0 114.114 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -148.02 167.1 25.79 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.351 1.46 . . . . 0.0 112.758 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -142.75 177.83 8.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.739 1.616 . . . . 0.0 111.846 178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.57 4.79 41.14 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.303 0.954 . . . . 0.0 114.775 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 58.12 26.82 14.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.968 1.707 . . . . 0.0 113.717 -173.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.2 mt -91.93 171.33 9.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.705 1.602 . . . . 0.0 111.388 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.79 123.9 41.93 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 108.176 168.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -108.8 141.04 41.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.181 1.392 . . . . 0.0 112.107 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.42 145.9 55.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.631 1.172 . . . . 0.0 112.557 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.4 m -82.08 -12.7 58.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.768 1.227 . . . . 0.0 113.244 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.61 -12.82 4.33 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -169.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.69 -174.13 4.4 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.486 1.114 . . . . 0.0 112.929 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -78.3 -6.15 54.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 114.116 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.12 141.55 58.08 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.079 -1.013 . . . . 0.0 113.497 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -153.03 147.93 26.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.744 1.218 . . . . 0.0 111.876 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -154.27 172.11 18.17 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.992 0.917 . . . . 0.0 112.689 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 pt -74.62 149.07 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.24 1.016 . . . . 0.0 111.133 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 60.54 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.378 2.271 . . . . 0.0 115.102 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -60.44 -23.91 64.79 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -65.51 -34.83 79.19 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.987 0.812 . . . . 0.0 112.336 172.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.7 m -69.74 -37.84 76.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.314 -0.866 . . . . 0.0 111.308 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.65 -40.18 96.19 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.702 -0.623 . . . . 0.0 112.143 171.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.77 -42.78 94.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.29 -0.881 . . . . 0.0 111.489 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -62.99 -39.12 93.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.912 0.885 . . . . 0.0 112.412 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -58.86 -47.27 85.5 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.054 0.843 . . . . 0.0 111.672 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.89 -37.95 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.903 0.774 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.47 -43.6 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.21 1.004 . . . . 0.0 111.674 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.66 -37.11 14.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -105.38 -10.05 17.21 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -169.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -123.39 130.74 53.14 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.137 0.975 . . . . 0.0 111.903 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -89.3 -13.92 36.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.234 1.414 . . . . 0.0 113.885 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -141.36 153.97 45.39 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.93 2.092 . . . . 0.0 109.709 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.79 155.42 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.774 1.23 . . . . 0.0 112.719 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.627 1.971 . . . . 0.0 111.919 178.026 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -63.51 -21.92 66.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -84.16 -6.78 59.45 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.516 1.126 . . . . 0.0 113.673 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.65 -175.04 41.46 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.754 1.168 . . . . 0.0 114.115 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 m 52.82 36.41 21.36 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.665 1.586 . . . . 0.0 114.466 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -78.69 54.13 1.45 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.026 1.73 . . . . 0.0 114.022 -170.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.41 -118.44 12.56 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.565 1.079 . . . . 0.0 112.549 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -122.22 26.5 8.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.964 1.306 . . . . 0.0 112.641 173.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.99 140.34 45.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.789 0.836 . . . . 0.0 111.608 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -123.91 143.22 50.5 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.301 1.841 . . . . 0.0 109.575 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -121.57 140.5 52.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.091 1.356 . . . . 0.0 111.997 -168.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.56 149.61 50.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.674 1.19 . . . . 0.0 113.283 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -91.08 -12.1 36.64 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.292 1.437 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -125.36 -12.0 6.83 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.95 -170.81 3.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.989 1.316 . . . . 0.0 112.332 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -84.86 -2.09 57.34 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.179 1.392 . . . . 0.0 113.951 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -62.97 148.03 48.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.337 1.055 . . . . 0.0 113.694 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.3 p -147.67 153.59 39.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.05 1.34 . . . . 0.0 111.961 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -149.98 159.56 44.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.159 0.984 . . . . 0.0 112.248 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 pt -74.8 133.59 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.376 0.67 . . . . 0.0 110.929 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 65.26 134.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.588 1.955 . . . . 0.0 114.438 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.1 -24.16 67.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.61 -32.8 74.36 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.285 0.948 . . . . 0.0 112.672 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.69 -28.36 63.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.937 0.895 . . . . 0.0 111.888 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.46 -42.59 52.86 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.887 0.875 . . . . 0.0 111.767 168.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.37 -44.56 84.52 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.921 0.888 . . . . 0.0 111.959 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.05 -34.35 78.21 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.44 -47.54 83.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.108 0.867 . . . . 0.0 111.309 170.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.24 -41.23 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.647 -0.658 . . . . 0.0 111.232 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -62.66 -43.28 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.112 0.965 . . . . 0.0 111.979 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -85.24 -30.73 23.59 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -108.78 -18.63 13.66 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -132.62 177.55 7.53 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.497 1.119 . . . . 0.0 113.268 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -127.02 165.83 18.72 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.345 1.858 . . . . 0.0 111.936 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -124.58 147.08 48.68 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.408 1.483 . . . . 0.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -117.55 -11.3 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 126.718 2.007 . . . . 0.0 113.409 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.095 1.758 . . . . 0.0 112.613 -174.557 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -66.54 147.54 53.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.436 1.095 . . . . 0.0 112.949 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -84.17 142.97 29.95 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.062 0.945 . . . . 0.0 112.223 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.77 -164.91 38.21 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 124.714 1.149 . . . . 0.0 114.854 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -102.22 11.21 38.57 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.383 1.473 . . . . 0.0 113.703 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 m -56.61 125.21 21.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.718 1.207 . . . . 0.0 112.416 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.07 0.44 65.36 Favored Glycine 0 CA--C 1.539 1.562 0 N-CA-C 115.824 1.09 . . . . 0.0 115.824 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.56 157.68 24.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.295 1.547 . . . . 0.0 111.809 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.9 146.01 25.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.808 0.814 . . . . 0.0 112.921 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -116.91 138.59 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.466 2.307 . . . . 0.0 108.528 174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -119.79 143.96 47.56 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.256 1.022 . . . . 0.0 112.792 -169.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.93 151.13 43.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.865 1.266 . . . . 0.0 112.79 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -87.85 -12.63 44.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.621 1.568 . . . . 0.0 113.802 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -127.52 -14.7 5.2 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.63 -174.3 4.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.284 1.034 . . . . 0.0 112.895 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -82.52 -1.29 50.09 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.004 1.321 . . . . 0.0 113.479 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.28 146.88 49.81 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.868 -1.145 . . . . 0.0 113.249 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -144.63 156.57 44.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.94 1.296 . . . . 0.0 112.448 171.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -143.33 162.02 36.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.087 1.355 . . . . 0.0 111.807 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 tt -82.3 -1.52 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.281 1.032 . . . . 0.0 113.572 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -141.94 151.81 42.93 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.318 1.047 . . . . 0.0 111.976 169.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -66.17 -24.94 66.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.379 0.672 . . . . 0.0 112.454 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.39 -44.01 79.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.834 1.254 . . . . 0.0 111.947 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.74 -38.56 73.55 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.411 0.684 . . . . 0.0 112.305 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.3 -38.34 83.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.592 -0.692 . . . . 0.0 112.335 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.5 -42.11 86.86 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.342 -0.849 . . . . 0.0 111.772 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.5 mtm-85 -65.93 -34.1 77.34 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.999 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -62.17 -47.57 83.92 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.62 1.1 . . . . 0.0 111.221 169.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.01 -39.42 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.48 -0.762 . . . . 0.0 111.809 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.35 -43.87 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.058 0.943 . . . . 0.0 111.525 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.32 -35.39 41.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -108.02 -24.36 11.63 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -169.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -130.36 -18.51 3.22 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -81.5 149.3 28.78 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 0.0 112.521 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -148.25 160.09 43.31 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.968 1.307 . . . . 0.0 112.566 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.07 163.38 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.812 1.245 . . . . 0.0 111.79 169.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.156 1.782 . . . . 0.0 111.653 178.651 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.45 143.16 26.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.235 1.014 . . . . 0.0 113.356 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -56.1 148.98 16.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 113.45 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 m -74.98 -17.39 60.55 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.815 1.246 . . . . 0.0 113.522 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -133.36 -9.38 2.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.6 -168.76 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.737 1.153 . . . . 0.0 113.469 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -89.02 0.83 56.34 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.584 1.554 . . . . 0.0 114.412 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.91 153.38 37.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.074 0.95 . . . . 0.0 112.458 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -146.96 152.85 39.32 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.139 0.976 . . . . 0.0 113.223 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -143.89 170.85 15.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.79 1.236 . . . . 0.0 113.391 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 pt -82.69 125.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.753 1.221 . . . . 0.0 110.81 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 p 59.56 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.302 2.241 . . . . 0.0 115.85 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.87 -27.81 68.5 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.104 169.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.88 -28.76 69.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.445 1.498 . . . . 0.0 113.089 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.64 -43.33 12.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.459 0.572 . . . . 0.0 111.369 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.52 -37.57 73.22 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -58.09 -31.79 67.45 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.397 -0.814 . . . . 0.0 113.074 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -66.31 -37.95 86.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.257 1.023 . . . . 0.0 112.09 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.73 -44.85 96.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.552 0.614 . . . . 0.0 111.237 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.97 -37.85 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.52 -0.738 . . . . 0.0 111.855 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.34 -44.57 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.716 1.207 . . . . 0.0 111.724 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -87.93 -34.89 17.96 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.447 1.276 . . . . 0.0 114.447 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -104.96 -13.09 15.9 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -169.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 124.327 1.051 . . . . 0.0 113.558 -176.11 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -117.96 143.62 46.21 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.617 1.167 . . . . 0.0 112.198 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.89 145.9 51.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 112.1 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -85.99 -14.11 45.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.546 1.138 . . . . 0.0 113.255 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -112.96 -22.58 10.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.717 1.207 . . . . 0.0 114.003 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.95 -171.15 3.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.696 1.198 . . . . 0.0 112.952 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -84.24 -0.86 53.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.064 1.346 . . . . 0.0 114.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.94 151.87 44.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.244 1.017 . . . . 0.0 113.46 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -144.52 155.1 43.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.678 172.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -143.54 156.53 44.63 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.091 1.356 . . . . 0.0 111.393 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.05 126.98 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 121.802 -0.561 . . . . 0.0 109.904 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 63.94 145.17 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.793 2.037 . . . . 0.0 114.844 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -63.6 -26.52 68.73 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.972 -1.08 . . . . 0.0 112.628 169.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -67.74 -24.77 65.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.09 1.356 . . . . 0.0 113.098 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -90.61 -40.0 12.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.441 0.696 . . . . 0.0 111.933 169.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -54.7 -35.85 64.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.006 . . . . 0.0 113.21 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -53.83 -32.64 53.55 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -68.3 -35.91 78.54 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.095 0.958 . . . . 0.0 112.558 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -64.0 -43.31 96.06 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.18 0.592 . . . . 0.0 111.306 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.03 -41.48 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.797 -0.564 . . . . 0.0 111.054 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.38 -43.42 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.469 1.108 . . . . 0.0 111.374 173.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -75.8 -41.07 53.85 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -108.55 -20.96 12.92 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 124.57 1.148 . . . . 0.0 112.991 -169.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 145.02 30.79 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.61 1.164 . . . . 0.0 113.315 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.75 152.03 23.8 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.994 1.717 . . . . 0.0 112.982 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.1 p -81.78 -16.1 52.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.226 1.411 . . . . 0.0 113.634 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -129.02 -11.0 4.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -148.72 -172.76 4.17 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.641 1.177 . . . . 0.0 112.63 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.35 1.25 45.99 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.035 1.334 . . . . 0.0 114.368 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.6 150.34 44.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.224 1.01 . . . . 0.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -146.73 154.75 41.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.298 1.039 . . . . 0.0 112.918 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -143.81 165.54 27.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.895 1.278 . . . . 0.0 112.108 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.13 136.37 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.429 0.692 . . . . 0.0 110.647 173.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 61.72 147.82 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 126.898 2.079 . . . . 0.0 115.06 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -68.22 -26.15 65.57 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.098 -1.001 . . . . 0.0 111.886 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -66.27 -44.44 83.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.805 1.242 . . . . 0.0 112.321 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.74 -32.94 66.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.717 -0.614 . . . . 0.0 112.131 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.54 -30.72 63.41 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.529 1.132 . . . . 0.0 113.249 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.72 -36.1 66.84 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.379 -0.826 . . . . 0.0 112.462 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -63.74 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.588 1.155 . . . . 0.0 111.8 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -62.76 -46.07 89.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.365 0.666 . . . . 0.0 111.456 172.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.71 -36.6 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.471 -0.768 . . . . 0.0 111.476 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.16 -44.15 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.787 1.235 . . . . 0.0 111.715 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -92.49 -32.98 14.67 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.18 -10.52 15.4 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -168.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 124.384 1.074 . . . . 0.0 112.237 176.653 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -110.39 144.47 39.12 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.57 1.148 . . . . 0.0 112.459 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.39 147.43 48.5 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.515 1.526 . . . . 0.0 112.369 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.2 m -85.21 -14.79 45.75 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.4 1.08 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.18 -22.27 10.58 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.706 1.202 . . . . 0.0 114.045 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.91 -172.21 3.94 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.623 1.169 . . . . 0.0 113.137 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -83.92 -0.52 51.75 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.094 1.358 . . . . 0.0 114.495 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.28 149.98 44.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.32 1.048 . . . . 0.0 113.284 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.4 p -146.17 152.88 39.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.627 1.171 . . . . 0.0 112.782 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t -146.34 157.11 43.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.566 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 pt -76.88 134.36 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.727 -0.608 . . . . 0.0 111.049 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m 63.27 134.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.44 1.896 . . . . 0.0 114.61 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -61.08 -31.03 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.463 -1.398 . . . . 0.0 113.784 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.78 -22.78 67.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.285 1.034 . . . . 0.0 113.497 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -87.83 -41.48 13.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.973 0.909 . . . . 0.0 111.478 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.34 -40.56 78.27 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.986 0.915 . . . . 0.0 112.439 174.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.91 -33.57 62.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.177 0.991 . . . . 0.0 112.612 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -68.29 -39.69 82.02 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.863 1.265 . . . . 0.0 111.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -61.4 -44.47 97.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.153 0.581 . . . . 0.0 111.297 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.14 -41.01 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.749 -0.594 . . . . 0.0 111.369 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.1 -44.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.627 1.171 . . . . 0.0 111.687 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.75 -34.0 30.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.99 -16.78 13.75 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 124.391 1.076 . . . . 0.0 112.856 -173.18 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -101.48 143.97 30.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.333 1.053 . . . . 0.0 113.513 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.14 147.96 33.16 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -94.0 0.16 55.85 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.183 1.393 . . . . 0.0 113.757 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -119.97 -24.78 5.98 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.729 1.212 . . . . 0.0 114.13 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.88 -170.74 3.48 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.436 1.094 . . . . 0.0 113.362 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -84.63 -2.76 57.93 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.352 1.461 . . . . 0.0 114.653 -175.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.82 151.4 39.02 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.394 1.078 . . . . 0.0 113.105 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.6 p -144.68 153.64 41.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.291 1.036 . . . . 0.0 113.413 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -144.91 178.71 7.83 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.48 1.512 . . . . 0.0 112.644 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.14 112.59 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.286 1.435 . . . . 0.0 111.608 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 p 59.27 161.14 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.657 2.383 . . . . 0.0 115.598 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -58.35 -26.59 63.3 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -67.82 -26.06 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.812 1.245 . . . . 0.0 113.063 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.37 -39.52 8.76 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.913 0.885 . . . . 0.0 111.7 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.15 -39.53 75.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.881 0.872 . . . . 0.0 113.131 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.29 -29.73 64.12 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.42 -0.8 . . . . 0.0 112.794 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -67.52 -31.66 71.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.893 1.277 . . . . 0.0 112.155 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.54 -44.45 67.48 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.97 0.908 . . . . 0.0 111.024 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.39 -41.86 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.482 0.713 . . . . 0.0 111.448 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.52 -45.28 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.856 1.262 . . . . 0.0 111.724 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -83.88 -32.59 25.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -108.04 -24.15 11.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -172.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.796 1.239 . . . . 0.0 112.622 -169.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -94.84 147.09 23.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.209 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.41 151.92 22.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.293 1.837 . . . . 0.0 112.699 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 p -81.83 -12.92 58.28 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.094 1.358 . . . . 0.0 113.637 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -129.55 -12.43 4.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -147.0 -174.0 4.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.397 1.079 . . . . 0.0 112.997 176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -84.9 -0.46 54.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 114.013 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 149.06 38.88 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.016 -1.052 . . . . 0.0 112.726 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -145.2 149.57 35.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.161 0.984 . . . . 0.0 113.007 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -148.14 161.02 42.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.028 1.331 . . . . 0.0 111.902 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.18 132.53 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.378 -0.826 . . . . 0.0 111.165 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 6.5 t 56.29 150.02 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.312 2.645 . . . . 0.0 116.819 -172.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -63.76 -27.21 69.03 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.52 -1.362 . . . . 0.0 112.607 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -64.67 -24.58 67.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.05 0.94 . . . . 0.0 113.14 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 t -89.29 -43.51 10.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.831 0.741 . . . . 0.0 111.301 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.96 -36.99 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.785 0.834 . . . . 0.0 113.111 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -58.77 -31.84 68.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.91 0.884 . . . . 0.0 112.49 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -67.93 -40.4 83.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.447 1.099 . . . . 0.0 111.334 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -60.96 -44.36 97.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.341 0.656 . . . . 0.0 111.405 170.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.54 -37.07 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.597 -0.689 . . . . 0.0 111.861 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.09 -44.67 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.545 1.138 . . . . 0.0 111.79 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -84.96 -34.93 22.33 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -110.02 -12.9 14.48 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 124.721 1.209 . . . . 0.0 112.768 -174.38 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.05 143.05 50.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.806 0.842 . . . . 0.0 112.987 -168.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.76 151.34 47.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.531 1.132 . . . . 0.0 112.591 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -98.94 -12.63 20.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.159 1.384 . . . . 0.0 112.904 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -109.67 -18.58 13.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.978 1.311 . . . . 0.0 113.305 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -148.01 -171.55 3.85 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.498 1.519 . . . . 0.0 111.994 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -88.5 8.41 28.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.079 1.352 . . . . 0.0 114.098 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -64.51 145.8 55.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.948 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 m -126.37 140.41 52.52 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.728 2.011 . . . . 0.0 110.504 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.32 147.15 41.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.294 1.037 . . . . 0.0 112.55 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.19 122.8 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.539 1.136 . . . . 0.0 108.928 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m 65.65 136.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.728 2.011 . . . . 0.0 113.225 -168.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.495 -1.378 . . . . 0.0 114.348 -169.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -61.67 -38.39 87.59 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.062 -1.024 . . . . 0.0 112.704 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.59 -36.77 83.43 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.781 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.8 -42.21 95.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.49 0.716 . . . . 0.0 112.394 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.87 -42.26 93.34 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.347 -0.846 . . . . 0.0 111.431 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.37 -38.8 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.667 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -58.51 -48.22 81.56 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.499 1.045 . . . . 0.0 111.77 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.73 -38.64 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.374 -0.829 . . . . 0.0 111.703 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.97 -41.94 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.394 1.077 . . . . 0.0 111.825 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.59 -32.59 15.45 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -107.5 -12.03 15.37 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -169.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 124.392 1.077 . . . . 0.0 112.257 179.068 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -109.52 141.71 41.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.944 1.298 . . . . 0.0 112.437 -169.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -66.42 151.13 47.81 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.319 1.448 . . . . 0.0 113.424 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -88.43 -12.91 41.78 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.326 1.45 . . . . 0.0 113.4 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -125.61 -13.46 6.49 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.09 -175.58 4.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.848 1.259 . . . . 0.0 112.437 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -82.92 1.85 37.51 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.64 150.08 49.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.397 1.079 . . . . 0.0 113.473 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -147.17 151.74 37.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.558 1.143 . . . . 0.0 112.144 169.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -148.78 156.45 42.36 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tp -67.52 126.79 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.758 1.223 . . . . 0.0 110.495 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 64.78 146.42 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.517 2.327 . . . . 0.0 115.24 -169.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -67.81 -20.27 65.16 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.7 -47.8 82.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.82 0.848 . . . . 0.0 111.014 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.45 -37.21 85.03 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.607 -0.683 . . . . 0.0 111.589 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.85 -42.26 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 112.517 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -59.46 -41.61 90.08 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.425 -0.797 . . . . 0.0 111.254 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -64.6 -37.56 88.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.567 174.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.3 -48.4 81.75 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.367 0.985 . . . . 0.0 111.793 169.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.81 -45.09 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.807 0.73 . . . . 0.0 110.899 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.28 -42.17 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.313 1.045 . . . . 0.0 111.647 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -80.97 -37.06 29.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -109.38 -20.63 12.85 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -107.34 145.89 32.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.826 1.25 . . . . 0.0 112.472 -170.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.38 148.4 23.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.971 1.708 . . . . 0.0 113.293 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -80.16 -10.2 59.75 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.159 1.384 . . . . 0.0 113.578 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.53 -18.0 3.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -145.09 -168.87 3.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.903 1.228 . . . . 0.0 113.591 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.61 -2.48 58.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.538 1.535 . . . . 0.0 114.392 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.64 151.59 37.65 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.114 0.966 . . . . 0.0 112.915 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.9 p -146.29 155.44 42.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.314 1.046 . . . . 0.0 112.96 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -143.61 159.29 42.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.875 1.27 . . . . 0.0 111.795 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 pt -72.4 127.66 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.407 0.683 . . . . 0.0 110.714 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.342 2.1 t 55.39 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.689 2.796 . . . . 0.0 116.445 -168.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -24.81 66.86 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.986 1.314 . . . . 0.0 114.406 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.32 -35.58 76.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.648 0.779 . . . . 0.0 112.092 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m -77.95 -31.36 50.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.992 0.917 . . . . 0.0 112.096 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.55 -33.17 73.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.636 1.574 . . . . 0.0 113.203 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -52.49 -37.53 57.51 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.948 0.795 . . . . 0.0 112.523 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -61.25 -33.42 73.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.417 . . . . 0.0 112.841 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -69.73 -47.34 63.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 110.783 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -62.01 -42.31 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.51 0.724 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.21 -41.56 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.546 1.538 . . . . 0.0 111.992 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -91.04 -31.47 16.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.43 -19.99 13.52 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.249 1.02 . . . . 0.0 113.17 -170.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.51 136.12 53.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.1 0.96 . . . . 0.0 112.413 -169.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.77 125.76 25.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.61 1.564 . . . . 0.0 111.409 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -71.05 -13.91 62.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.239 0.615 . . . . 0.0 112.65 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.95 -35.58 11.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.963 1.305 . . . . 0.0 112.897 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.64 3.42 1.47 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -173.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . 0.252 22.8 t60 60.84 15.2 5.76 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -56.77 135.42 55.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.901 -1.124 . . . . 0.0 110.664 168.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -103.73 141.86 35.35 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.436 1.095 . . . . 0.0 113.037 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -143.79 154.01 42.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.589 1.156 . . . . 0.0 112.001 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 pp -77.07 122.34 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.788 . . . . 0.0 110.418 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p 62.27 156.17 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.347 1.859 . . . . 0.0 115.028 -169.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -67.44 -26.77 66.56 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.034 -1.041 . . . . 0.0 112.644 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -67.08 -36.57 82.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.924 0.89 . . . . 0.0 112.571 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.18 -37.55 57.73 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.445 -0.784 . . . . 0.0 111.83 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.43 -39.12 86.34 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.633 -0.667 . . . . 0.0 112.651 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.58 -32.86 72.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.098 -1.001 . . . . 0.0 112.358 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.8 mtt85 -67.06 -32.04 72.95 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.173 0.989 . . . . 0.0 112.905 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -66.45 -46.63 75.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.117 0.871 . . . . 0.0 110.448 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.67 -44.28 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.822 -0.548 . . . . 0.0 111.399 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.11 -41.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.884 1.274 . . . . 0.0 112.098 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.21 -31.69 20.18 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.94 -19.36 13.65 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.116 0.967 . . . . 0.0 113.078 -173.031 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.65 145.91 25.4 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.541 1.137 . . . . 0.0 111.926 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.94 144.81 27.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.908 1.683 . . . . 0.0 112.496 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 m -74.25 -14.67 60.95 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.292 1.037 . . . . 0.0 113.187 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.85 -10.08 2.71 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.33 -166.64 2.53 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.514 1.125 . . . . 0.0 113.093 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -88.19 -0.64 57.33 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.495 1.518 . . . . 0.0 114.363 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.07 154.14 31.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.163 0.985 . . . . 0.0 112.748 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 t -147.8 143.27 27.37 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.912 1.285 . . . . 0.0 111.656 176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -144.11 158.29 43.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.618 1.167 . . . . 0.0 112.367 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.25 130.21 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.715 0.806 . . . . 0.0 109.239 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.313 13.0 t 53.69 135.4 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.827 2.851 . . . . 0.0 117.205 -172.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -53.84 -28.96 38.91 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.46 1.504 . . . . 0.0 113.515 169.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -64.8 -32.58 74.33 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.002 0.921 . . . . 0.0 112.905 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.65 -34.69 16.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.797 0.839 . . . . 0.0 112.166 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.49 -36.77 76.68 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.115 1.366 . . . . 0.0 113.062 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -51.53 -36.25 44.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.25 1.02 . . . . 0.0 112.7 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -39.6 93.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.388 1.475 . . . . 0.0 112.683 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -63.4 -43.22 98.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.848 0.859 . . . . 0.0 110.876 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.25 -36.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.638 -0.664 . . . . 0.0 111.651 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.82 -46.62 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.532 1.133 . . . . 0.0 111.623 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -86.46 -46.03 10.58 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -87.7 -21.59 25.13 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -171.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.93 1.292 . . . . 0.0 112.245 -178.198 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -113.55 140.16 48.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.02 1.328 . . . . 0.0 112.002 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.99 148.86 46.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.375 1.47 . . . . 0.0 113.392 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -85.21 -13.68 49.22 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.109 1.363 . . . . 0.0 113.353 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -128.2 -10.38 5.28 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.64 -171.54 3.83 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 0.0 112.583 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -84.65 -2.31 57.31 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.071 1.348 . . . . 0.0 113.849 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.29 150.75 42.49 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.543 1.137 . . . . 0.0 113.666 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.3 p -146.47 151.2 37.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.681 1.192 . . . . 0.0 112.654 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -147.49 164.85 32.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.929 1.292 . . . . 0.0 112.485 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.62 129.94 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.254 0.622 . . . . 0.0 111.402 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 p 61.8 147.26 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.18 2.192 . . . . 0.0 115.507 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -21.4 66.68 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.921 -1.112 . . . . 0.0 113.886 171.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -66.75 -38.11 85.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.95 0.9 . . . . 0.0 112.199 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.62 -43.11 69.94 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.764 -0.585 . . . . 0.0 111.094 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.32 -37.31 82.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.581 0.753 . . . . 0.0 112.754 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.38 -42.05 73.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.911 0.884 . . . . 0.0 111.796 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -67.66 -38.28 83.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.351 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -58.18 -47.8 82.29 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.16 0.891 . . . . 0.0 111.301 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.1 -42.33 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.734 -0.604 . . . . 0.0 111.322 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.19 -43.43 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.011 0.925 . . . . 0.0 111.943 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.54 -31.28 26.48 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -110.09 -16.58 13.76 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.196 0.998 . . . . 0.0 113.489 -171.278 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -116.18 141.53 48.02 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.84 1.256 . . . . 0.0 112.089 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.69 149.67 43.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.917 1.287 . . . . 0.0 112.97 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -82.95 -16.51 47.06 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.381 1.472 . . . . 0.0 113.646 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.55 -10.08 4.55 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -148.8 -171.41 3.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.774 1.23 . . . . 0.0 112.42 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -84.04 -1.6 55.1 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.222 1.409 . . . . 0.0 113.496 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.93 151.85 41.52 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.778 -1.201 . . . . 0.0 113.623 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.2 p -144.87 154.44 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.901 1.28 . . . . 0.0 112.283 170.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -143.77 153.95 42.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.605 1.162 . . . . 0.0 112.09 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.99 124.63 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m 64.28 133.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.195 2.198 . . . . 0.0 114.139 -173.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.23 -23.39 64.02 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.25 -24.52 67.91 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.744 1.218 . . . . 0.0 113.354 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.91 -32.75 15.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.778 0.831 . . . . 0.0 112.237 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.73 -42.94 97.82 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.233 -0.917 . . . . 0.0 112.593 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -60.25 -32.44 71.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.275 -0.89 . . . . 0.0 112.383 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -64.41 -40.27 95.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.652 1.181 . . . . 0.0 111.868 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -60.71 -46.31 90.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.37 0.668 . . . . 0.0 111.431 170.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.71 -40.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 121.429 -0.794 . . . . 0.0 111.549 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.07 -39.44 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 0.0 111.96 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -90.0 -32.51 16.74 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -110.25 -16.12 13.82 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -169.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 124.35 1.06 . . . . 0.0 112.93 -174.547 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -121.9 142.38 50.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.342 1.457 . . . . 0.0 112.595 -168.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.92 153.15 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.121 1.368 . . . . 0.0 113.359 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -94.07 -13.04 27.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.075 1.75 . . . . 0.0 113.67 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -122.38 -14.86 7.77 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.37 -175.28 4.65 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 112.398 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -83.21 2.7 34.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.855 1.262 . . . . 0.0 114.36 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.44 145.95 55.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.209 1.004 . . . . 0.0 113.495 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.4 p -150.01 150.04 31.21 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 111.676 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -153.6 168.66 25.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.833 0.853 . . . . 0.0 112.432 174.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.05 138.7 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.43 1.092 . . . . 0.0 109.472 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.323 15.2 t 58.1 139.28 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 129.052 2.941 . . . . 0.0 116.214 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.34 -21.86 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.698 1.199 . . . . 0.0 112.433 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.79 -40.32 92.18 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.018 0.826 . . . . 0.0 112.129 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.44 -40.36 70.44 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.292 0.637 . . . . 0.0 111.206 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -42.91 99.71 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.594 -0.691 . . . . 0.0 112.436 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.09 -42.99 91.78 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.798 0.839 . . . . 0.0 111.08 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -64.15 -37.59 88.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.251 1.02 . . . . 0.0 112.484 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -61.2 -48.29 82.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.75 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.56 -40.52 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.857 0.753 . . . . 0.0 111.078 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.11 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.998 0.919 . . . . 0.0 111.047 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -75.45 -35.27 60.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -172.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -108.27 -24.62 11.42 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.536 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -115.27 142.01 47.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.662 1.185 . . . . 0.0 112.218 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.75 150.25 41.82 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.916 1.287 . . . . 0.0 112.903 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.3 p -86.8 -12.44 48.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.431 1.492 . . . . 0.0 113.799 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -127.01 -13.98 5.62 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -146.05 -172.89 4.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.352 1.061 . . . . 0.0 112.998 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -82.59 -2.87 55.05 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.214 1.405 . . . . 0.0 113.564 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.55 147.0 50.39 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.914 -1.116 . . . . 0.0 113.391 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.3 p -148.32 152.62 37.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.402 1.081 . . . . 0.0 112.614 169.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -148.13 163.05 38.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.503 1.121 . . . . 0.0 113.312 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.2 mt -77.45 135.33 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.146 0.978 . . . . 0.0 109.004 171.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.8 m 64.69 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.214 2.206 . . . . 0.0 114.437 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -63.56 -27.01 68.96 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.689 -1.257 . . . . 0.0 113.788 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.44 -22.82 66.8 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.24 -41.68 21.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.93 0.892 . . . . 0.0 111.153 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.31 -38.05 76.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.161 0.984 . . . . 0.0 112.057 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -49.23 -46.92 46.6 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.588 1.155 . . . . 0.0 111.753 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.11 -34.27 77.26 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.145 0.978 . . . . 0.0 112.854 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -60.47 -41.84 95.01 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.07 0.85 . . . . 0.0 111.245 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.98 -38.66 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.408 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mm -62.54 -45.72 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.695 1.134 . . . . 0.0 111.12 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -74.25 -40.3 62.47 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.13 -19.65 12.96 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.794 1.238 . . . . 0.0 112.562 -169.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -99.66 147.07 25.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.44 1.096 . . . . 0.0 112.87 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.78 147.56 49.49 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.722 1.609 . . . . 0.0 112.347 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -82.59 -11.75 58.2 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.61 1.164 . . . . 0.0 113.116 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -127.45 -13.02 5.53 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.03 -171.11 3.82 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.017 1.327 . . . . 0.0 112.51 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -84.87 -1.14 56.15 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.981 1.312 . . . . 0.0 113.758 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -62.36 150.09 40.51 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.861 -1.149 . . . . 0.0 113.086 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -146.99 157.22 43.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.428 1.091 . . . . 0.0 113.241 174.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -145.1 154.92 42.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.077 1.351 . . . . 0.0 114.409 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.75 129.9 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 167.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 64.55 154.16 0.06 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.482 1.913 . . . . 0.0 113.855 -167.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.74 -24.33 60.95 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.394 -0.817 . . . . 0.0 112.85 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -62.41 -42.5 99.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.846 0.858 . . . . 0.0 112.01 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -69.64 -25.86 64.13 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.782 0.833 . . . . 0.0 112.83 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -77.24 -41.52 40.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.246 1.018 . . . . 0.0 112.877 172.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.34 -43.5 92.76 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.284 -0.885 . . . . 0.0 112.19 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -64.01 -32.99 74.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.792 0.723 . . . . 0.0 112.946 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -64.48 -48.05 76.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.011 0.823 . . . . 0.0 111.619 170.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -62.1 -38.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.529 -0.732 . . . . 0.0 111.333 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.07 -52.43 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.886 0.874 . . . . 0.0 110.921 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -75.65 -31.97 60.03 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -172.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -107.35 -23.29 12.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -172.552 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -124.43 141.51 52.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.982 1.313 . . . . 0.0 111.82 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -66.9 153.23 44.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 113.318 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -90.52 -23.03 21.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.701 1.601 . . . . 0.0 112.708 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -115.76 -12.62 11.47 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.62 -172.13 3.96 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.978 1.311 . . . . 0.0 112.29 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -87.1 2.77 48.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 114.121 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.04 148.14 50.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.359 1.064 . . . . 0.0 113.472 -178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -146.22 151.76 38.11 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 112.337 170.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.8 p -149.83 152.69 35.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.826 1.25 . . . . 0.0 112.347 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.72 137.14 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.936 -0.478 . . . . 0.0 111.09 169.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m 63.26 130.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.26 2.224 . . . . 0.0 114.231 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -64.44 -19.27 65.44 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.19 -35.3 80.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 0.0 112.346 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -66.14 -40.84 90.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.457 0.703 . . . . 0.0 110.974 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.41 -40.02 89.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.26 0.624 . . . . 0.0 111.99 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -59.87 -43.17 94.87 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 111.315 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -65.44 -30.24 71.01 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -67.17 -48.01 69.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.537 1.062 . . . . 0.0 111.093 168.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.2 t -64.94 -35.03 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.566 1.146 . . . . 0.0 112.033 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.31 -47.74 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.833 1.253 . . . . 0.0 111.692 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -88.9 -42.55 11.77 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.64 -22.74 18.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.932 1.293 . . . . 0.0 113.744 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 . . . . . 0 CA--C 1.546 0.8 0 C-N-CA 125.109 1.364 . . . . 0.0 112.927 178.383 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -108.8 141.04 41.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.181 1.392 . . . . 0.0 112.107 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.42 145.9 55.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.631 1.172 . . . . 0.0 112.557 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.4 m -82.08 -12.7 58.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.768 1.227 . . . . 0.0 113.244 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.61 -12.82 4.33 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -169.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.69 -174.13 4.4 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.486 1.114 . . . . 0.0 112.929 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -78.3 -6.15 54.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 114.116 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.12 141.55 58.08 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.079 -1.013 . . . . 0.0 113.497 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -153.03 147.93 26.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.744 1.218 . . . . 0.0 111.876 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -154.27 172.11 18.17 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.992 0.917 . . . . 0.0 112.689 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 pt -74.62 149.07 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.24 1.016 . . . . 0.0 111.133 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 60.54 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.378 2.271 . . . . 0.0 115.102 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -60.44 -23.91 64.79 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -65.51 -34.83 79.19 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.987 0.812 . . . . 0.0 112.336 172.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.7 m -69.74 -37.84 76.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.314 -0.866 . . . . 0.0 111.308 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.65 -40.18 96.19 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.702 -0.623 . . . . 0.0 112.143 171.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.77 -42.78 94.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.29 -0.881 . . . . 0.0 111.489 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -62.99 -39.12 93.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.912 0.885 . . . . 0.0 112.412 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -58.86 -47.27 85.5 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.054 0.843 . . . . 0.0 111.672 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.89 -37.95 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.903 0.774 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.47 -43.6 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.21 1.004 . . . . 0.0 111.674 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.66 -37.11 14.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -105.38 -10.05 17.21 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -169.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 124.137 0.975 . . . . 0.0 111.903 176.825 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -121.57 140.5 52.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.091 1.356 . . . . 0.0 111.997 -168.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.56 149.61 50.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.674 1.19 . . . . 0.0 113.283 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -91.08 -12.1 36.64 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.292 1.437 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -125.36 -12.0 6.83 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.95 -170.81 3.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.989 1.316 . . . . 0.0 112.332 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -84.86 -2.09 57.34 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.179 1.392 . . . . 0.0 113.951 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -62.97 148.03 48.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.337 1.055 . . . . 0.0 113.694 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.3 p -147.67 153.59 39.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.05 1.34 . . . . 0.0 111.961 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -149.98 159.56 44.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.159 0.984 . . . . 0.0 112.248 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 pt -74.8 133.59 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.376 0.67 . . . . 0.0 110.929 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 65.26 134.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.588 1.955 . . . . 0.0 114.438 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.1 -24.16 67.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.61 -32.8 74.36 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.285 0.948 . . . . 0.0 112.672 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.69 -28.36 63.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.937 0.895 . . . . 0.0 111.888 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.46 -42.59 52.86 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.887 0.875 . . . . 0.0 111.767 168.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.37 -44.56 84.52 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.921 0.888 . . . . 0.0 111.959 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.05 -34.35 78.21 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.44 -47.54 83.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.108 0.867 . . . . 0.0 111.309 170.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.24 -41.23 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.647 -0.658 . . . . 0.0 111.232 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -62.66 -43.28 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.112 0.965 . . . . 0.0 111.979 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -85.24 -30.73 23.59 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -108.78 -18.63 13.66 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 . . . . . 0 CA--C 1.543 0.705 0 C-N-CA 124.497 1.119 . . . . 0.0 113.268 -170.618 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -119.79 143.96 47.56 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.256 1.022 . . . . 0.0 112.792 -169.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.93 151.13 43.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.865 1.266 . . . . 0.0 112.79 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -87.85 -12.63 44.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.621 1.568 . . . . 0.0 113.802 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -127.52 -14.7 5.2 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.63 -174.3 4.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.284 1.034 . . . . 0.0 112.895 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -82.52 -1.29 50.09 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.004 1.321 . . . . 0.0 113.479 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.28 146.88 49.81 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.868 -1.145 . . . . 0.0 113.249 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -144.63 156.57 44.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.94 1.296 . . . . 0.0 112.448 171.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -143.33 162.02 36.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.087 1.355 . . . . 0.0 111.807 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 tt -82.3 -1.52 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.281 1.032 . . . . 0.0 113.572 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -141.94 151.81 42.93 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.318 1.047 . . . . 0.0 111.976 169.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -66.17 -24.94 66.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.379 0.672 . . . . 0.0 112.454 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.39 -44.01 79.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.834 1.254 . . . . 0.0 111.947 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.74 -38.56 73.55 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.411 0.684 . . . . 0.0 112.305 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.3 -38.34 83.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.592 -0.692 . . . . 0.0 112.335 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.5 -42.11 86.86 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.342 -0.849 . . . . 0.0 111.772 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.5 mtm-85 -65.93 -34.1 77.34 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.999 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -62.17 -47.57 83.92 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.62 1.1 . . . . 0.0 111.221 169.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.01 -39.42 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.48 -0.762 . . . . 0.0 111.809 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.35 -43.87 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.058 0.943 . . . . 0.0 111.525 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.32 -35.39 41.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -108.02 -24.36 11.63 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -169.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -147.57 164.79 32.34 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.325 1.45 . . . . 0.0 112.455 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -143.96 160.74 40.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.528 1.531 . . . . 0.0 112.232 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.7 -172.57 45.58 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.424 1.011 . . . . 0.0 113.668 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -76.09 163.23 27.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.11 1.364 . . . . 0.0 113.387 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -73.65 168.59 19.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.325 1.45 . . . . 0.0 113.386 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.06 158.49 33.94 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.467 1.032 . . . . 0.0 114.32 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -63.68 133.76 54.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -172.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.07 153.93 49.29 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.008 2.123 . . . . 0.0 109.077 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -86.02 125.46 33.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.042 0.937 . . . . 0.0 109.516 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.45 143.16 26.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.235 1.014 . . . . 0.0 113.356 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -56.1 148.98 16.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 113.45 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 m -74.98 -17.39 60.55 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.815 1.246 . . . . 0.0 113.522 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -133.36 -9.38 2.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.6 -168.76 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.737 1.153 . . . . 0.0 113.469 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -89.02 0.83 56.34 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.584 1.554 . . . . 0.0 114.412 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.91 153.38 37.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.074 0.95 . . . . 0.0 112.458 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -146.96 152.85 39.32 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.139 0.976 . . . . 0.0 113.223 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -143.89 170.85 15.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.79 1.236 . . . . 0.0 113.391 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 pt -82.69 125.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.753 1.221 . . . . 0.0 110.81 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 p 59.56 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.302 2.241 . . . . 0.0 115.85 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.87 -27.81 68.5 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.104 169.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.88 -28.76 69.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.445 1.498 . . . . 0.0 113.089 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.64 -43.33 12.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.459 0.572 . . . . 0.0 111.369 169.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.52 -37.57 73.22 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -58.09 -31.79 67.45 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.397 -0.814 . . . . 0.0 113.074 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -66.31 -37.95 86.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.257 1.023 . . . . 0.0 112.09 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.73 -44.85 96.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.552 0.614 . . . . 0.0 111.237 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.97 -37.85 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.52 -0.738 . . . . 0.0 111.855 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.34 -44.57 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.716 1.207 . . . . 0.0 111.724 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -87.93 -34.89 17.96 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.447 1.276 . . . . 0.0 114.447 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -104.96 -13.09 15.9 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -169.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -133.36 166.17 23.13 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.327 1.051 . . . . 0.0 113.558 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.0 m -76.88 96.79 4.4 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.415 1.086 . . . . 0.0 109.801 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.38 47.87 1.32 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.048 1.339 . . . . 0.0 112.467 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.64 167.73 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.447 1.899 . . . . 0.0 112.45 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.961 1.704 . . . . 0.0 111.607 178.294 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -81.39 -23.46 37.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m 54.42 24.09 4.96 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.966 1.706 . . . . 0.0 114.53 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.55 123.09 32.24 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.401 1.001 . . . . 0.0 112.886 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 55.85 19.65 3.65 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.924 1.69 . . . . 0.0 115.063 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -83.55 175.82 9.49 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.81 1.244 . . . . 0.0 112.19 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 35.08 0.41 Allowed Glycine 0 CA--C 1.539 1.532 0 C-N-CA 126.829 2.157 . . . . 0.0 115.449 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -83.71 162.75 20.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.647 1.579 . . . . 0.0 111.017 173.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.27 139.82 39.91 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.462 -0.774 . . . . 0.0 111.228 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.07 145.92 48.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.143 1.777 . . . . 0.0 109.111 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -117.96 143.62 46.21 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.617 1.167 . . . . 0.0 112.198 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.89 145.9 51.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 112.1 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -85.99 -14.11 45.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.546 1.138 . . . . 0.0 113.255 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -112.96 -22.58 10.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.717 1.207 . . . . 0.0 114.003 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.95 -171.15 3.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.696 1.198 . . . . 0.0 112.952 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -84.24 -0.86 53.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.064 1.346 . . . . 0.0 114.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.94 151.87 44.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.244 1.017 . . . . 0.0 113.46 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -144.52 155.1 43.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.678 172.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -143.54 156.53 44.63 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.091 1.356 . . . . 0.0 111.393 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.05 126.98 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 121.802 -0.561 . . . . 0.0 109.904 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 63.94 145.17 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.793 2.037 . . . . 0.0 114.844 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -63.6 -26.52 68.73 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.972 -1.08 . . . . 0.0 112.628 169.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -67.74 -24.77 65.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.09 1.356 . . . . 0.0 113.098 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -90.61 -40.0 12.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.441 0.696 . . . . 0.0 111.933 169.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -54.7 -35.85 64.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.006 . . . . 0.0 113.21 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -53.83 -32.64 53.55 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -68.3 -35.91 78.54 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.095 0.958 . . . . 0.0 112.558 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -64.0 -43.31 96.06 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.18 0.592 . . . . 0.0 111.306 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.03 -41.48 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.797 -0.564 . . . . 0.0 111.054 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.38 -43.42 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.469 1.108 . . . . 0.0 111.374 173.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -75.8 -41.07 53.85 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -108.55 -20.96 12.92 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -134.12 32.75 3.42 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.57 1.148 . . . . 0.0 112.991 -169.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.9 t -57.49 140.42 50.7 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.188 0.995 . . . . 0.0 113.225 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -77.3 -10.06 59.2 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.895 1.278 . . . . 0.0 113.228 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.48 -27.37 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.594 1.158 . . . . 0.0 112.387 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.334 1.853 . . . . 0.0 112.603 -176.646 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -135.16 156.0 49.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.442 1.497 . . . . 0.0 112.175 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -65.93 150.76 48.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.547 1.139 . . . . 0.0 113.038 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 -179.73 47.9 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.69 1.138 . . . . 0.0 113.412 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -67.2 147.63 52.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.589 1.155 . . . . 0.0 113.14 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -76.05 -9.92 59.0 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.63 -176.79 42.36 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.855 1.693 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -131.95 147.13 52.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.856 1.262 . . . . 0.0 112.111 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.52 145.17 40.74 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.252 1.421 . . . . 0.0 111.915 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -119.59 133.12 55.8 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.645 1.978 . . . . 0.0 108.749 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 145.02 30.79 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.61 1.164 . . . . 0.0 113.315 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.75 152.03 23.8 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.994 1.717 . . . . 0.0 112.982 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.1 p -81.78 -16.1 52.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.226 1.411 . . . . 0.0 113.634 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -129.02 -11.0 4.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -148.72 -172.76 4.17 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.641 1.177 . . . . 0.0 112.63 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.35 1.25 45.99 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.035 1.334 . . . . 0.0 114.368 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.6 150.34 44.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.224 1.01 . . . . 0.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -146.73 154.75 41.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.298 1.039 . . . . 0.0 112.918 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -143.81 165.54 27.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.895 1.278 . . . . 0.0 112.108 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.13 136.37 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.429 0.692 . . . . 0.0 110.647 173.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 61.72 147.82 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 126.898 2.079 . . . . 0.0 115.06 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -68.22 -26.15 65.57 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.098 -1.001 . . . . 0.0 111.886 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -66.27 -44.44 83.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.805 1.242 . . . . 0.0 112.321 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.74 -32.94 66.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.717 -0.614 . . . . 0.0 112.131 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.54 -30.72 63.41 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.529 1.132 . . . . 0.0 113.249 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.72 -36.1 66.84 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.379 -0.826 . . . . 0.0 112.462 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -63.74 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.588 1.155 . . . . 0.0 111.8 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -62.76 -46.07 89.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.365 0.666 . . . . 0.0 111.456 172.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.71 -36.6 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.471 -0.768 . . . . 0.0 111.476 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.16 -44.15 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.787 1.235 . . . . 0.0 111.715 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -92.49 -32.98 14.67 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.18 -10.52 15.4 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -168.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -126.33 147.44 49.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.384 1.074 . . . . 0.0 112.237 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 p -112.74 6.5 18.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.139 1.775 . . . . 0.0 113.477 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -139.22 163.94 31.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.7 2.0 . . . . 0.0 110.907 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.16 151.4 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.896 1.679 . . . . 0.0 111.507 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.18 1.792 . . . . 0.0 111.886 -179.216 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -148.25 148.58 30.64 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.032 1.333 . . . . 0.0 111.812 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -83.94 -5.35 59.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.928 1.291 . . . . 0.0 113.481 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.19 80.82 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.492 1.044 . . . . 0.0 114.93 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -149.92 161.57 42.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.26 1.824 . . . . 0.0 110.857 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -143.69 163.25 33.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.172 1.389 . . . . 0.0 113.594 -173.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.55 161.83 33.96 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 126.097 1.808 . . . . 0.0 111.65 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -136.62 151.61 49.52 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -169.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.51 143.59 36.45 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.819 1.247 . . . . 0.0 110.813 169.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.01 141.67 51.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.742 1.617 . . . . 0.0 109.141 171.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -110.39 144.47 39.12 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.57 1.148 . . . . 0.0 112.459 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.39 147.43 48.5 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.515 1.526 . . . . 0.0 112.369 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.2 m -85.21 -14.79 45.75 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.4 1.08 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.18 -22.27 10.58 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.706 1.202 . . . . 0.0 114.045 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.91 -172.21 3.94 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.623 1.169 . . . . 0.0 113.137 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -83.92 -0.52 51.75 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.094 1.358 . . . . 0.0 114.495 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.28 149.98 44.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.32 1.048 . . . . 0.0 113.284 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.4 p -146.17 152.88 39.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.627 1.171 . . . . 0.0 112.782 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t -146.34 157.11 43.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.566 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 pt -76.88 134.36 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.727 -0.608 . . . . 0.0 111.049 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m 63.27 134.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.44 1.896 . . . . 0.0 114.61 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -61.08 -31.03 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.463 -1.398 . . . . 0.0 113.784 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.78 -22.78 67.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.285 1.034 . . . . 0.0 113.497 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -87.83 -41.48 13.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.973 0.909 . . . . 0.0 111.478 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.34 -40.56 78.27 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.986 0.915 . . . . 0.0 112.439 174.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.91 -33.57 62.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.177 0.991 . . . . 0.0 112.612 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -68.29 -39.69 82.02 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.863 1.265 . . . . 0.0 111.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -61.4 -44.47 97.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.153 0.581 . . . . 0.0 111.297 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.14 -41.01 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.749 -0.594 . . . . 0.0 111.369 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.1 -44.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.627 1.171 . . . . 0.0 111.687 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.75 -34.0 30.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.99 -16.78 13.75 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -134.26 166.47 22.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.391 1.076 . . . . 0.0 112.856 -173.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 t -154.9 155.29 34.06 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.79 1.236 . . . . 0.0 111.745 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -127.35 10.88 6.84 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.878 1.671 . . . . 0.0 112.228 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.3 pt -133.75 160.24 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.946 1.698 . . . . 0.0 112.546 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.63 1.572 . . . . 0.0 111.753 177.715 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.159 -0.376 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -146.69 163.41 36.01 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.4 1.48 . . . . 0.0 112.41 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -148.45 164.81 33.04 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.356 1.462 . . . . 0.0 112.596 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.12 -163.47 32.9 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.921 1.248 . . . . 0.0 112.9 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -53.15 133.92 38.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.557 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p 47.04 19.51 0.1 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.162 2.185 . . . . 0.0 116.202 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.84 9.77 66.58 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.086 1.327 . . . . 0.0 115.43 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -147.36 119.4 8.22 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.289 1.545 . . . . 0.0 112.94 -174.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.45 143.88 27.73 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.49 1.116 . . . . 0.0 109.675 169.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -103.28 122.56 45.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.008 1.323 . . . . 0.0 108.746 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -101.48 143.97 30.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.333 1.053 . . . . 0.0 113.513 -169.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.14 147.96 33.16 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -94.0 0.16 55.85 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.183 1.393 . . . . 0.0 113.757 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -119.97 -24.78 5.98 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.729 1.212 . . . . 0.0 114.13 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.88 -170.74 3.48 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.436 1.094 . . . . 0.0 113.362 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -84.63 -2.76 57.93 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.352 1.461 . . . . 0.0 114.653 -175.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.82 151.4 39.02 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.394 1.078 . . . . 0.0 113.105 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.6 p -144.68 153.64 41.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.291 1.036 . . . . 0.0 113.413 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -144.91 178.71 7.83 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.48 1.512 . . . . 0.0 112.644 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.14 112.59 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.286 1.435 . . . . 0.0 111.608 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 p 59.27 161.14 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.657 2.383 . . . . 0.0 115.598 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -58.35 -26.59 63.3 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -67.82 -26.06 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.812 1.245 . . . . 0.0 113.063 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.37 -39.52 8.76 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.913 0.885 . . . . 0.0 111.7 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.15 -39.53 75.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.881 0.872 . . . . 0.0 113.131 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.29 -29.73 64.12 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.42 -0.8 . . . . 0.0 112.794 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -67.52 -31.66 71.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.893 1.277 . . . . 0.0 112.155 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.54 -44.45 67.48 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.97 0.908 . . . . 0.0 111.024 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.39 -41.86 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.482 0.713 . . . . 0.0 111.448 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.52 -45.28 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.856 1.262 . . . . 0.0 111.724 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -83.88 -32.59 25.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -108.04 -24.15 11.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -172.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -132.78 37.05 3.48 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.796 1.239 . . . . 0.0 112.622 -169.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -62.0 158.29 16.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.64 1.176 . . . . 0.0 112.765 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -66.51 -0.54 2.83 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.81 1.644 . . . . 0.0 115.024 -172.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 tt -71.33 -19.0 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.443 1.497 . . . . 0.0 113.671 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.227 1.411 . . . . 0.0 113.947 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -64.53 -16.98 63.48 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -79.31 -9.26 59.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.564 1.546 . . . . 0.0 114.308 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.14 -166.74 32.11 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.065 1.317 . . . . 0.0 114.921 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 58.44 28.62 17.14 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.019 1.728 . . . . 0.0 115.466 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -60.9 128.24 35.52 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.939 -1.1 . . . . 0.0 111.647 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 8.5 84.29 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.587 1.089 . . . . 0.0 115.221 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -84.18 -174.9 5.54 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.048 1.339 . . . . 0.0 112.109 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.34 128.02 34.08 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.385 1.074 . . . . 0.0 109.254 168.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.78 140.42 43.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.34 1.456 . . . . 0.0 110.41 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -94.84 147.09 23.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.209 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.41 151.92 22.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.293 1.837 . . . . 0.0 112.699 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 p -81.83 -12.92 58.28 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.094 1.358 . . . . 0.0 113.637 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -129.55 -12.43 4.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -147.0 -174.0 4.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.397 1.079 . . . . 0.0 112.997 176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -84.9 -0.46 54.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.077 1.351 . . . . 0.0 114.013 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 149.06 38.88 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.016 -1.052 . . . . 0.0 112.726 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -145.2 149.57 35.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.161 0.984 . . . . 0.0 113.007 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -148.14 161.02 42.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.028 1.331 . . . . 0.0 111.902 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.18 132.53 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.378 -0.826 . . . . 0.0 111.165 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 6.5 t 56.29 150.02 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.312 2.645 . . . . 0.0 116.819 -172.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -63.76 -27.21 69.03 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.52 -1.362 . . . . 0.0 112.607 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -64.67 -24.58 67.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.05 0.94 . . . . 0.0 113.14 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 t -89.29 -43.51 10.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.831 0.741 . . . . 0.0 111.301 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.96 -36.99 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.785 0.834 . . . . 0.0 113.111 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -58.77 -31.84 68.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.91 0.884 . . . . 0.0 112.49 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -67.93 -40.4 83.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.447 1.099 . . . . 0.0 111.334 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -60.96 -44.36 97.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.341 0.656 . . . . 0.0 111.405 170.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.54 -37.07 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.597 -0.689 . . . . 0.0 111.861 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.09 -44.67 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.545 1.138 . . . . 0.0 111.79 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -84.96 -34.93 22.33 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -110.02 -12.9 14.48 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.71 173.45 11.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.721 1.209 . . . . 0.0 112.768 -174.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 m -74.87 35.33 0.1 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.319 1.847 . . . . 0.0 115.193 -170.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.95 -30.04 71.01 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.199 1.4 . . . . 0.0 111.812 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 pt -124.49 153.38 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.615 1.966 . . . . 0.0 110.761 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.255 1.384 0 C-N-CA 126.392 1.877 . . . . 0.0 111.613 -177.666 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -125.67 153.44 43.84 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.636 1.575 . . . . 0.0 112.337 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -66.91 146.49 54.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.269 1.028 . . . . 0.0 113.509 -176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.12 168.37 31.04 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.331 1.443 . . . . 0.0 112.89 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -80.73 -33.08 35.48 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -135.47 -6.35 2.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.389 1.476 . . . . 0.0 114.586 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.39 -169.76 41.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.916 1.722 . . . . 0.0 111.659 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -72.29 138.92 47.73 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 122.005 -0.703 . . . . 0.0 112.525 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.87 143.9 27.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.803 1.241 . . . . 0.0 111.106 172.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -134.26 154.21 51.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.685 1.994 . . . . 0.0 110.249 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.05 143.05 50.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.806 0.842 . . . . 0.0 112.987 -168.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.76 151.34 47.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.531 1.132 . . . . 0.0 112.591 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -98.94 -12.63 20.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.159 1.384 . . . . 0.0 112.904 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -109.67 -18.58 13.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.978 1.311 . . . . 0.0 113.305 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -148.01 -171.55 3.85 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.498 1.519 . . . . 0.0 111.994 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -88.5 8.41 28.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.079 1.352 . . . . 0.0 114.098 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -64.51 145.8 55.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.948 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 m -126.37 140.41 52.52 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.728 2.011 . . . . 0.0 110.504 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.32 147.15 41.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.294 1.037 . . . . 0.0 112.55 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.19 122.8 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.539 1.136 . . . . 0.0 108.928 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m 65.65 136.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.728 2.011 . . . . 0.0 113.225 -168.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.495 -1.378 . . . . 0.0 114.348 -169.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -61.67 -38.39 87.59 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.062 -1.024 . . . . 0.0 112.704 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.59 -36.77 83.43 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.781 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.8 -42.21 95.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.49 0.716 . . . . 0.0 112.394 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.87 -42.26 93.34 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.347 -0.846 . . . . 0.0 111.431 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.37 -38.8 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.667 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -58.51 -48.22 81.56 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.499 1.045 . . . . 0.0 111.77 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.73 -38.64 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.374 -0.829 . . . . 0.0 111.703 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.97 -41.94 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.394 1.077 . . . . 0.0 111.825 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.59 -32.59 15.45 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -107.5 -12.03 15.37 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -169.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -127.69 149.65 50.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.392 1.077 . . . . 0.0 112.257 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -156.04 -46.22 0.08 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.682 1.193 . . . . 0.0 112.077 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -137.34 146.25 44.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.623 1.569 . . . . 0.0 110.345 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -131.11 140.5 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.99 1.716 . . . . 0.0 109.905 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.616 1.566 . . . . 0.0 114.556 -177.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -66.51 151.83 46.44 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.541 1.136 . . . . 0.0 113.149 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -148.7 162.93 38.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.159 1.384 . . . . 0.0 112.015 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.65 -178.24 52.17 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.122 1.344 . . . . 0.0 114.771 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t 61.22 169.07 0.1 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.705 2.002 . . . . 0.0 114.849 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -156.47 150.54 25.16 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.481 1.512 . . . . 0.0 111.838 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.44 -172.01 39.36 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.99 1.281 . . . . 0.0 114.562 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -92.0 121.87 33.98 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.89 0.876 . . . . 0.0 111.907 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.77 129.62 36.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.857 0.863 . . . . 0.0 110.464 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -102.21 139.7 37.47 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.851 1.66 . . . . 0.0 109.675 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -109.52 141.71 41.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.944 1.298 . . . . 0.0 112.437 -169.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -66.42 151.13 47.81 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.319 1.448 . . . . 0.0 113.424 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -88.43 -12.91 41.78 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.326 1.45 . . . . 0.0 113.4 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -125.61 -13.46 6.49 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.09 -175.58 4.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.848 1.259 . . . . 0.0 112.437 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -82.92 1.85 37.51 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.64 150.08 49.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.397 1.079 . . . . 0.0 113.473 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -147.17 151.74 37.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.558 1.143 . . . . 0.0 112.144 169.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -148.78 156.45 42.36 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tp -67.52 126.79 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.758 1.223 . . . . 0.0 110.495 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p 64.78 146.42 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.517 2.327 . . . . 0.0 115.24 -169.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -67.81 -20.27 65.16 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.7 -47.8 82.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.82 0.848 . . . . 0.0 111.014 172.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.45 -37.21 85.03 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.607 -0.683 . . . . 0.0 111.589 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.85 -42.26 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 112.517 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -59.46 -41.61 90.08 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.425 -0.797 . . . . 0.0 111.254 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -64.6 -37.56 88.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.567 174.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.3 -48.4 81.75 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.367 0.985 . . . . 0.0 111.793 169.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.81 -45.09 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.807 0.73 . . . . 0.0 110.899 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.28 -42.17 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.313 1.045 . . . . 0.0 111.647 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -80.97 -37.06 29.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -109.38 -20.63 12.85 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -123.53 -25.58 4.35 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m 60.64 178.67 0.1 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.625 1.97 . . . . 0.0 114.8 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.33 136.37 53.31 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.114 -0.991 . . . . 0.0 111.225 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 tt -86.87 142.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.568 1.147 . . . . 0.0 112.305 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.655 1.582 . . . . 0.0 112.057 -178.534 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -73.74 -19.95 60.65 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 m -136.81 151.96 49.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.711 1.604 . . . . 0.0 111.766 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.08 -2.92 87.9 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -62.64 144.52 56.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.17 1.388 . . . . 0.0 113.386 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -78.23 157.61 29.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.679 1.192 . . . . 0.0 112.775 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.53 -141.92 46.31 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.867 0.746 . . . . 0.0 113.132 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -141.71 143.67 33.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.942 1.297 . . . . 0.0 110.479 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.54 139.55 30.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.98 0.912 . . . . 0.0 111.657 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.63 141.73 51.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.914 1.686 . . . . 0.0 109.769 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -107.34 145.89 32.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.826 1.25 . . . . 0.0 112.472 -170.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.38 148.4 23.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.971 1.708 . . . . 0.0 113.293 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -80.16 -10.2 59.75 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.159 1.384 . . . . 0.0 113.578 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.53 -18.0 3.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -145.09 -168.87 3.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.903 1.228 . . . . 0.0 113.591 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.61 -2.48 58.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.538 1.535 . . . . 0.0 114.392 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.64 151.59 37.65 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.114 0.966 . . . . 0.0 112.915 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.9 p -146.29 155.44 42.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.314 1.046 . . . . 0.0 112.96 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -143.61 159.29 42.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.875 1.27 . . . . 0.0 111.795 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 pt -72.4 127.66 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.407 0.683 . . . . 0.0 110.714 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.342 2.1 t 55.39 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.689 2.796 . . . . 0.0 116.445 -168.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -24.81 66.86 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.986 1.314 . . . . 0.0 114.406 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.32 -35.58 76.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.648 0.779 . . . . 0.0 112.092 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m -77.95 -31.36 50.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.992 0.917 . . . . 0.0 112.096 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.55 -33.17 73.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.636 1.574 . . . . 0.0 113.203 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -52.49 -37.53 57.51 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.948 0.795 . . . . 0.0 112.523 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -61.25 -33.42 73.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.417 . . . . 0.0 112.841 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -69.73 -47.34 63.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 110.783 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -62.01 -42.31 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.51 0.724 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.21 -41.56 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.546 1.538 . . . . 0.0 111.992 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -91.04 -31.47 16.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.43 -19.99 13.52 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -132.48 168.18 18.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.249 1.02 . . . . 0.0 113.17 -170.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 m -70.58 149.37 47.17 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 112.99 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -78.11 -29.5 48.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.556 0.742 . . . . 0.0 112.888 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 tp -75.55 144.63 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.011 1.325 . . . . 0.0 111.804 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.457 1.903 . . . . 0.0 113.316 -179.61 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -63.66 -21.5 66.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 p -71.93 -28.42 63.46 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.766 1.226 . . . . 0.0 113.344 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.74 -30.98 8.06 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.044 1.307 . . . . 0.0 114.103 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -121.7 99.88 6.7 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.239 1.416 . . . . 0.0 111.644 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -72.26 148.85 45.06 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.321 1.048 . . . . 0.0 112.884 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.81 164.59 54.82 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.237 0.922 . . . . 0.0 114.318 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.273 18.1 p-80 49.47 28.26 2.37 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 116.916 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.1 mt -81.32 138.75 35.66 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.429 1.092 . . . . 0.0 111.677 170.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -122.44 149.01 44.43 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.719 2.008 . . . . 0.0 109.239 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.51 136.12 53.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.1 0.96 . . . . 0.0 112.413 -169.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.77 125.76 25.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.61 1.564 . . . . 0.0 111.409 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -71.05 -13.91 62.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.239 0.615 . . . . 0.0 112.65 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.95 -35.58 11.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.963 1.305 . . . . 0.0 112.897 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.64 3.42 1.47 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -173.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . 0.252 22.8 t60 60.84 15.2 5.76 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -56.77 135.42 55.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.901 -1.124 . . . . 0.0 110.664 168.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -103.73 141.86 35.35 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.436 1.095 . . . . 0.0 113.037 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -143.79 154.01 42.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.589 1.156 . . . . 0.0 112.001 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 pp -77.07 122.34 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.788 . . . . 0.0 110.418 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p 62.27 156.17 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.347 1.859 . . . . 0.0 115.028 -169.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -67.44 -26.77 66.56 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.034 -1.041 . . . . 0.0 112.644 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -67.08 -36.57 82.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.924 0.89 . . . . 0.0 112.571 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.18 -37.55 57.73 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.445 -0.784 . . . . 0.0 111.83 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.43 -39.12 86.34 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.633 -0.667 . . . . 0.0 112.651 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.58 -32.86 72.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.098 -1.001 . . . . 0.0 112.358 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.8 mtt85 -67.06 -32.04 72.95 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.173 0.989 . . . . 0.0 112.905 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -66.45 -46.63 75.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.117 0.871 . . . . 0.0 110.448 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.67 -44.28 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.822 -0.548 . . . . 0.0 111.399 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.11 -41.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.884 1.274 . . . . 0.0 112.098 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.21 -31.69 20.18 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.94 -19.36 13.65 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -131.9 163.82 27.47 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.116 0.967 . . . . 0.0 113.078 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -90.35 -15.87 30.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 -173.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -78.52 136.87 37.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.435 1.094 . . . . 0.0 112.593 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 pt -84.03 -16.46 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.32 1.048 . . . . 0.0 113.494 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.254 1.31 0 C-N-CA 128.16 2.584 . . . . 0.0 110.146 -176.264 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m 53.87 39.82 30.84 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.935 1.294 . . . . 0.0 113.154 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -142.11 156.84 45.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.175 1.79 . . . . 0.0 112.536 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.96 -151.06 46.92 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.268 0.937 . . . . 0.0 114.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m 56.38 37.4 28.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.725 1.61 . . . . 0.0 114.647 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -141.38 158.53 43.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.744 1.617 . . . . 0.0 112.614 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.43 -175.7 43.62 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.854 1.216 . . . . 0.0 113.47 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -87.19 -6.01 58.76 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.18 141.75 35.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.37 1.468 . . . . 0.0 111.711 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -127.14 131.03 50.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.144 1.778 . . . . 0.0 109.462 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.65 145.91 25.4 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.541 1.137 . . . . 0.0 111.926 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.94 144.81 27.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.908 1.683 . . . . 0.0 112.496 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 m -74.25 -14.67 60.95 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.292 1.037 . . . . 0.0 113.187 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.85 -10.08 2.71 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.33 -166.64 2.53 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.514 1.125 . . . . 0.0 113.093 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -88.19 -0.64 57.33 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.495 1.518 . . . . 0.0 114.363 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.07 154.14 31.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.163 0.985 . . . . 0.0 112.748 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 t -147.8 143.27 27.37 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.912 1.285 . . . . 0.0 111.656 176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -144.11 158.29 43.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.618 1.167 . . . . 0.0 112.367 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.25 130.21 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.715 0.806 . . . . 0.0 109.239 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.313 13.0 t 53.69 135.4 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.827 2.851 . . . . 0.0 117.205 -172.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -53.84 -28.96 38.91 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.46 1.504 . . . . 0.0 113.515 169.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -64.8 -32.58 74.33 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.002 0.921 . . . . 0.0 112.905 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.65 -34.69 16.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.797 0.839 . . . . 0.0 112.166 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.49 -36.77 76.68 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.115 1.366 . . . . 0.0 113.062 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -51.53 -36.25 44.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.25 1.02 . . . . 0.0 112.7 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -39.6 93.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.388 1.475 . . . . 0.0 112.683 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -63.4 -43.22 98.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.848 0.859 . . . . 0.0 110.876 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.25 -36.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.638 -0.664 . . . . 0.0 111.651 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.82 -46.62 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.532 1.133 . . . . 0.0 111.623 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -86.46 -46.03 10.58 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -87.7 -21.59 25.13 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -171.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -123.98 173.69 8.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.93 1.292 . . . . 0.0 112.245 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 m -74.36 11.86 0.88 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -171.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.32 52.27 1.57 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 112.437 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -89.98 -18.63 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 125.628 1.571 . . . . 0.0 113.023 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.355 1.862 . . . . 0.0 112.668 -178.441 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -66.56 149.18 50.85 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.579 1.152 . . . . 0.0 113.061 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -75.47 -37.96 59.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.253 1.021 . . . . 0.0 112.767 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.65 154.68 32.85 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.951 1.263 . . . . 0.0 112.862 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 p -76.38 155.2 34.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.495 1.118 . . . . 0.0 112.992 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -131.15 1.35 4.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.122 1.369 . . . . 0.0 114.536 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.44 -120.71 1.28 Allowed Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.841 1.686 . . . . 0.0 109.321 -171.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.0 p80 51.35 13.16 0.17 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 168.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.61 139.55 30.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.635 1.574 . . . . 0.0 111.353 172.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -124.38 140.83 52.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.063 1.745 . . . . 0.0 109.553 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -113.55 140.16 48.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.02 1.328 . . . . 0.0 112.002 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.99 148.86 46.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.375 1.47 . . . . 0.0 113.392 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -85.21 -13.68 49.22 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.109 1.363 . . . . 0.0 113.353 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -128.2 -10.38 5.28 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.64 -171.54 3.83 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 0.0 112.583 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -84.65 -2.31 57.31 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.071 1.348 . . . . 0.0 113.849 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.29 150.75 42.49 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.543 1.137 . . . . 0.0 113.666 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.3 p -146.47 151.2 37.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.681 1.192 . . . . 0.0 112.654 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -147.49 164.85 32.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.929 1.292 . . . . 0.0 112.485 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.62 129.94 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.254 0.622 . . . . 0.0 111.402 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 p 61.8 147.26 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.18 2.192 . . . . 0.0 115.507 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -21.4 66.68 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.921 -1.112 . . . . 0.0 113.886 171.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -66.75 -38.11 85.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.95 0.9 . . . . 0.0 112.199 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.62 -43.11 69.94 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.764 -0.585 . . . . 0.0 111.094 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.32 -37.31 82.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.581 0.753 . . . . 0.0 112.754 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.38 -42.05 73.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.911 0.884 . . . . 0.0 111.796 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -67.66 -38.28 83.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.351 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -58.18 -47.8 82.29 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.16 0.891 . . . . 0.0 111.301 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.1 -42.33 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.734 -0.604 . . . . 0.0 111.322 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.19 -43.43 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.011 0.925 . . . . 0.0 111.943 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.54 -31.28 26.48 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -110.09 -16.58 13.76 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -135.66 167.09 21.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.196 0.998 . . . . 0.0 113.489 -171.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m 54.26 23.71 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.015 1.726 . . . . 0.0 115.266 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -92.27 21.66 5.03 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.039 1.735 . . . . 0.0 114.148 -171.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pp -74.36 163.15 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.961 1.304 . . . . 0.0 113.115 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.571 1.949 . . . . 0.0 111.645 -178.098 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.964 -0.454 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -80.6 169.01 18.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.711 1.204 . . . . 0.0 113.143 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -80.38 5.28 15.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.092 1.357 . . . . 0.0 114.498 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 153.12 51.53 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.562 1.077 . . . . 0.0 114.136 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -73.74 145.02 45.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.942 0.897 . . . . 0.0 112.898 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -92.32 -2.08 56.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 113.574 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.66 147.94 51.11 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.411 1.005 . . . . 0.0 113.881 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -85.51 153.1 22.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.301 1.04 . . . . 0.0 112.473 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.32 139.68 37.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.687 0.795 . . . . 0.0 111.594 170.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -123.48 143.73 49.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.405 1.882 . . . . 0.0 109.329 172.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -116.18 141.53 48.02 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.84 1.256 . . . . 0.0 112.089 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.69 149.67 43.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.917 1.287 . . . . 0.0 112.97 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -82.95 -16.51 47.06 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.381 1.472 . . . . 0.0 113.646 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.55 -10.08 4.55 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -148.8 -171.41 3.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.774 1.23 . . . . 0.0 112.42 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -84.04 -1.6 55.1 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.222 1.409 . . . . 0.0 113.496 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.93 151.85 41.52 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.778 -1.201 . . . . 0.0 113.623 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.2 p -144.87 154.44 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.901 1.28 . . . . 0.0 112.283 170.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -143.77 153.95 42.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.605 1.162 . . . . 0.0 112.09 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.99 124.63 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m 64.28 133.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.195 2.198 . . . . 0.0 114.139 -173.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.23 -23.39 64.02 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.25 -24.52 67.91 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.744 1.218 . . . . 0.0 113.354 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.91 -32.75 15.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.778 0.831 . . . . 0.0 112.237 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.73 -42.94 97.82 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.233 -0.917 . . . . 0.0 112.593 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -60.25 -32.44 71.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.275 -0.89 . . . . 0.0 112.383 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -64.41 -40.27 95.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.652 1.181 . . . . 0.0 111.868 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -60.71 -46.31 90.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.37 0.668 . . . . 0.0 111.431 170.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.71 -40.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 121.429 -0.794 . . . . 0.0 111.549 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.07 -39.44 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 0.0 111.96 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -90.0 -32.51 16.74 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -110.25 -16.12 13.82 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -169.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -130.15 163.32 26.89 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.35 1.06 . . . . 0.0 112.93 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -64.51 124.66 22.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.421 0.688 . . . . 0.0 111.766 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -151.94 155.94 39.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.798 1.639 . . . . 0.0 111.135 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 pt -131.91 160.47 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.331 1.452 . . . . 0.0 112.54 -173.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--O 1.254 1.32 0 C-N-CA 127.2 2.2 . . . . 0.0 110.86 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -82.21 -9.32 59.54 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -174.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -65.71 149.29 50.36 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.955 1.302 . . . . 0.0 113.462 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.62 171.99 51.21 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.431 1.015 . . . . 0.0 114.181 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -132.5 152.17 51.64 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.488 1.515 . . . . 0.0 112.177 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -78.0 -9.83 59.31 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -174.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.05 79.74 0.73 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.303 1.43 . . . . 0.0 113.929 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -82.07 60.38 4.84 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.472 1.509 . . . . 0.0 111.462 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.47 140.82 38.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.749 1.219 . . . . 0.0 111.805 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.45 146.5 51.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 110.1 172.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -121.9 142.38 50.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.342 1.457 . . . . 0.0 112.595 -168.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.92 153.15 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.121 1.368 . . . . 0.0 113.359 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -94.07 -13.04 27.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.075 1.75 . . . . 0.0 113.67 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -122.38 -14.86 7.77 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.37 -175.28 4.65 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 112.398 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -83.21 2.7 34.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.855 1.262 . . . . 0.0 114.36 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.44 145.95 55.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.209 1.004 . . . . 0.0 113.495 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.4 p -150.01 150.04 31.21 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 111.676 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -153.6 168.66 25.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.833 0.853 . . . . 0.0 112.432 174.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.05 138.7 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.43 1.092 . . . . 0.0 109.472 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.323 15.2 t 58.1 139.28 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 129.052 2.941 . . . . 0.0 116.214 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.34 -21.86 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.698 1.199 . . . . 0.0 112.433 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.79 -40.32 92.18 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.018 0.826 . . . . 0.0 112.129 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.44 -40.36 70.44 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.292 0.637 . . . . 0.0 111.206 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -42.91 99.71 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.594 -0.691 . . . . 0.0 112.436 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.09 -42.99 91.78 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.798 0.839 . . . . 0.0 111.08 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -64.15 -37.59 88.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.251 1.02 . . . . 0.0 112.484 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -61.2 -48.29 82.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.75 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.56 -40.52 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.857 0.753 . . . . 0.0 111.078 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.11 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.998 0.919 . . . . 0.0 111.047 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -75.45 -35.27 60.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -172.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -108.27 -24.62 11.42 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -124.92 -12.04 7.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 78.3 p 44.69 30.13 0.49 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 127.727 2.411 . . . . 0.0 115.511 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 53.96 27.61 7.59 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.664 1.985 . . . . 0.0 114.812 -173.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -86.17 142.8 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.951 1.301 . . . . 0.0 110.312 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.334 1.854 . . . . 0.0 113.337 176.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -66.64 -16.37 64.14 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -78.06 -8.02 57.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.753 1.621 . . . . 0.0 114.27 172.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.26 170.08 45.52 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.82 1.2 . . . . 0.0 114.698 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -145.09 165.61 27.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 111.879 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -146.71 170.39 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.678 1.591 . . . . 0.0 112.164 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.25 -169.49 31.77 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.155 1.36 . . . . 0.0 113.557 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 58.37 20.61 7.49 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.711 1.604 . . . . 0.0 114.334 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.37 149.31 44.0 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.254 1.822 . . . . 0.0 111.336 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -113.17 139.83 48.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.933 1.693 . . . . 0.0 109.171 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -115.27 142.01 47.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.662 1.185 . . . . 0.0 112.218 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.75 150.25 41.82 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.916 1.287 . . . . 0.0 112.903 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.3 p -86.8 -12.44 48.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.431 1.492 . . . . 0.0 113.799 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -127.01 -13.98 5.62 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -146.05 -172.89 4.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.352 1.061 . . . . 0.0 112.998 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -82.59 -2.87 55.05 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.214 1.405 . . . . 0.0 113.564 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.55 147.0 50.39 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.914 -1.116 . . . . 0.0 113.391 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.3 p -148.32 152.62 37.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.402 1.081 . . . . 0.0 112.614 169.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -148.13 163.05 38.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.503 1.121 . . . . 0.0 113.312 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.2 mt -77.45 135.33 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.146 0.978 . . . . 0.0 109.004 171.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.8 m 64.69 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.214 2.206 . . . . 0.0 114.437 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -63.56 -27.01 68.96 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.689 -1.257 . . . . 0.0 113.788 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.44 -22.82 66.8 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.24 -41.68 21.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.93 0.892 . . . . 0.0 111.153 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.31 -38.05 76.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.161 0.984 . . . . 0.0 112.057 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -49.23 -46.92 46.6 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.588 1.155 . . . . 0.0 111.753 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.11 -34.27 77.26 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.145 0.978 . . . . 0.0 112.854 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -60.47 -41.84 95.01 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.07 0.85 . . . . 0.0 111.245 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.98 -38.66 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.408 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mm -62.54 -45.72 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.695 1.134 . . . . 0.0 111.12 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -74.25 -40.3 62.47 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.13 -19.65 12.96 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -134.33 37.14 3.17 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.794 1.238 . . . . 0.0 112.562 -169.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 p -59.51 -24.4 63.61 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -79.38 69.45 5.63 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.955 1.302 . . . . 0.0 111.069 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 tt -133.64 143.26 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.585 1.954 . . . . 0.0 111.106 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.08 1.752 . . . . 0.0 111.697 -176.539 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -148.0 150.63 34.33 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.07 1.348 . . . . 0.0 111.846 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -86.36 -9.98 55.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.197 1.399 . . . . 0.0 113.728 172.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.08 149.31 40.79 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.427 1.013 . . . . 0.0 113.927 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -139.79 145.75 38.6 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.607 1.563 . . . . 0.0 111.71 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -100.88 -11.02 20.13 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.203 1.401 . . . . 0.0 114.711 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.12 144.68 41.68 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.318 0.961 . . . . 0.0 114.046 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -134.65 10.44 3.69 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.511 1.524 . . . . 0.0 113.822 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -80.64 160.77 24.95 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.696 1.598 . . . . 0.0 111.586 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -81.92 127.25 32.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.103 0.961 . . . . 0.0 109.839 169.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -99.66 147.07 25.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.44 1.096 . . . . 0.0 112.87 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.78 147.56 49.49 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.722 1.609 . . . . 0.0 112.347 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -82.59 -11.75 58.2 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.61 1.164 . . . . 0.0 113.116 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -127.45 -13.02 5.53 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.03 -171.11 3.82 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.017 1.327 . . . . 0.0 112.51 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -84.87 -1.14 56.15 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.981 1.312 . . . . 0.0 113.758 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -62.36 150.09 40.51 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.861 -1.149 . . . . 0.0 113.086 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -146.99 157.22 43.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.428 1.091 . . . . 0.0 113.241 174.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -145.1 154.92 42.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.077 1.351 . . . . 0.0 114.409 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.75 129.9 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 167.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 p 64.55 154.16 0.06 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.482 1.913 . . . . 0.0 113.855 -167.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.74 -24.33 60.95 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.394 -0.817 . . . . 0.0 112.85 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -62.41 -42.5 99.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.846 0.858 . . . . 0.0 112.01 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -69.64 -25.86 64.13 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.782 0.833 . . . . 0.0 112.83 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -77.24 -41.52 40.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.246 1.018 . . . . 0.0 112.877 172.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.34 -43.5 92.76 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.284 -0.885 . . . . 0.0 112.19 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -64.01 -32.99 74.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.792 0.723 . . . . 0.0 112.946 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -64.48 -48.05 76.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.011 0.823 . . . . 0.0 111.619 170.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -62.1 -38.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.529 -0.732 . . . . 0.0 111.333 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.07 -52.43 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.886 0.874 . . . . 0.0 110.921 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -75.65 -31.97 60.03 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -172.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -107.35 -23.29 12.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -126.47 -26.15 3.34 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -172.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -80.73 147.9 30.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.171 0.896 . . . . 0.0 112.101 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -82.7 56.09 3.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.585 1.154 . . . . 0.0 112.689 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pp -114.32 2.31 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.54 1.536 . . . . 0.0 114.111 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.897 1.679 . . . . 0.0 112.566 -179.789 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m 62.04 165.18 0.1 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.869 2.068 . . . . 0.0 115.415 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -87.78 174.08 8.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.957 1.303 . . . . 0.0 112.852 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.36 173.35 49.11 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.649 1.595 . . . . 0.0 114.74 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -149.73 169.16 21.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.956 1.702 . . . . 0.0 112.08 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -128.34 158.79 37.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.406 1.482 . . . . 0.0 113.018 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.2 171.74 38.74 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.661 1.124 . . . . 0.0 114.168 -175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -81.6 61.9 5.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.911 1.284 . . . . 0.0 111.933 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.66 139.15 49.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 113.038 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -126.28 149.17 49.3 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.016 2.127 . . . . 0.0 109.662 169.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -124.43 141.51 52.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.982 1.313 . . . . 0.0 111.82 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -66.9 153.23 44.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 113.318 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -90.52 -23.03 21.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.701 1.601 . . . . 0.0 112.708 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -115.76 -12.62 11.47 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -147.62 -172.13 3.96 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.978 1.311 . . . . 0.0 112.29 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -87.1 2.77 48.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 114.121 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.04 148.14 50.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.359 1.064 . . . . 0.0 113.472 -178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -146.22 151.76 38.11 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 112.337 170.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.8 p -149.83 152.69 35.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.826 1.25 . . . . 0.0 112.347 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.72 137.14 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.936 -0.478 . . . . 0.0 111.09 169.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m 63.26 130.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.26 2.224 . . . . 0.0 114.231 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -64.44 -19.27 65.44 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.19 -35.3 80.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 0.0 112.346 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -66.14 -40.84 90.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.457 0.703 . . . . 0.0 110.974 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.41 -40.02 89.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.26 0.624 . . . . 0.0 111.99 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -59.87 -43.17 94.87 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 111.315 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -65.44 -30.24 71.01 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -67.17 -48.01 69.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.537 1.062 . . . . 0.0 111.093 168.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.2 t -64.94 -35.03 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.566 1.146 . . . . 0.0 112.033 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.31 -47.74 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.833 1.253 . . . . 0.0 111.692 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -88.9 -42.55 11.77 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.64 -22.74 18.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.932 1.293 . . . . 0.0 113.744 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -121.36 17.8 11.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.109 1.364 . . . . 0.0 112.927 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.9 p 48.13 37.18 7.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.237 2.215 . . . . 0.0 115.714 170.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -66.25 -9.92 37.11 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pp -87.11 -6.15 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.514 1.526 . . . . 0.0 114.96 174.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.98 1.712 . . . . 0.0 112.449 -176.79 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -78.13 159.16 28.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 113.341 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -69.42 151.74 45.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.681 1.192 . . . . 0.0 113.224 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 164.38 52.35 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.362 0.982 . . . . 0.0 114.114 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -148.02 167.1 25.79 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.351 1.46 . . . . 0.0 112.758 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -142.75 177.83 8.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.739 1.616 . . . . 0.0 111.846 178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.57 4.79 41.14 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.303 0.954 . . . . 0.0 114.775 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 58.12 26.82 14.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.968 1.707 . . . . 0.0 113.717 -173.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.2 mt -91.93 171.33 9.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.705 1.602 . . . . 0.0 111.388 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.79 123.9 41.93 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 108.176 168.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -108.8 141.04 41.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.181 1.392 . . . . 0.0 112.107 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.42 145.9 55.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.631 1.172 . . . . 0.0 112.557 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.4 m -82.08 -12.7 58.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.768 1.227 . . . . 0.0 113.244 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.61 -12.82 4.33 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -169.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.69 -174.13 4.4 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.486 1.114 . . . . 0.0 112.929 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -78.3 -6.15 54.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 114.116 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.12 141.55 58.08 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.079 -1.013 . . . . 0.0 113.497 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -153.03 147.93 26.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.744 1.218 . . . . 0.0 111.876 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -154.27 172.11 18.17 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.992 0.917 . . . . 0.0 112.689 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 pt -74.62 149.07 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.24 1.016 . . . . 0.0 111.133 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 60.54 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.378 2.271 . . . . 0.0 115.102 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -60.44 -23.91 64.79 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -65.51 -34.83 79.19 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.987 0.812 . . . . 0.0 112.336 172.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.7 m -69.74 -37.84 76.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.314 -0.866 . . . . 0.0 111.308 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.65 -40.18 96.19 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.702 -0.623 . . . . 0.0 112.143 171.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.77 -42.78 94.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.29 -0.881 . . . . 0.0 111.489 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -62.99 -39.12 93.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.912 0.885 . . . . 0.0 112.412 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -58.86 -47.27 85.5 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.054 0.843 . . . . 0.0 111.672 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.89 -37.95 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.903 0.774 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.47 -43.6 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.21 1.004 . . . . 0.0 111.674 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.66 -37.11 14.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -105.38 -10.05 17.21 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -169.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -123.39 130.74 53.14 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.137 0.975 . . . . 0.0 111.903 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.1 p -89.3 -13.92 36.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.234 1.414 . . . . 0.0 113.885 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -141.36 153.97 45.39 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.93 2.092 . . . . 0.0 109.709 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.79 155.42 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.774 1.23 . . . . 0.0 112.719 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.627 1.971 . . . . 0.0 111.919 178.026 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -63.51 -21.92 66.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -84.16 -6.78 59.45 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.516 1.126 . . . . 0.0 113.673 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.65 -175.04 41.46 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.754 1.168 . . . . 0.0 114.115 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 m 52.82 36.41 21.36 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.665 1.586 . . . . 0.0 114.466 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -78.69 54.13 1.45 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.026 1.73 . . . . 0.0 114.022 -170.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.41 -118.44 12.56 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.565 1.079 . . . . 0.0 112.549 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -122.22 26.5 8.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.964 1.306 . . . . 0.0 112.641 173.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.99 140.34 45.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.789 0.836 . . . . 0.0 111.608 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -123.91 143.22 50.5 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.301 1.841 . . . . 0.0 109.575 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -121.57 140.5 52.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.091 1.356 . . . . 0.0 111.997 -168.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.56 149.61 50.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.674 1.19 . . . . 0.0 113.283 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -91.08 -12.1 36.64 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.292 1.437 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -125.36 -12.0 6.83 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.95 -170.81 3.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.989 1.316 . . . . 0.0 112.332 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -84.86 -2.09 57.34 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.179 1.392 . . . . 0.0 113.951 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -62.97 148.03 48.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.337 1.055 . . . . 0.0 113.694 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.3 p -147.67 153.59 39.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.05 1.34 . . . . 0.0 111.961 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -149.98 159.56 44.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.159 0.984 . . . . 0.0 112.248 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 pt -74.8 133.59 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.376 0.67 . . . . 0.0 110.929 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m 65.26 134.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.588 1.955 . . . . 0.0 114.438 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.1 -24.16 67.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.61 -32.8 74.36 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.285 0.948 . . . . 0.0 112.672 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.69 -28.36 63.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.937 0.895 . . . . 0.0 111.888 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.46 -42.59 52.86 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.887 0.875 . . . . 0.0 111.767 168.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.37 -44.56 84.52 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.921 0.888 . . . . 0.0 111.959 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.05 -34.35 78.21 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.44 -47.54 83.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.108 0.867 . . . . 0.0 111.309 170.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.24 -41.23 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.647 -0.658 . . . . 0.0 111.232 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -62.66 -43.28 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.112 0.965 . . . . 0.0 111.979 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -85.24 -30.73 23.59 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -108.78 -18.63 13.66 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -132.62 177.55 7.53 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.497 1.119 . . . . 0.0 113.268 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -127.02 165.83 18.72 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.345 1.858 . . . . 0.0 111.936 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -124.58 147.08 48.68 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.408 1.483 . . . . 0.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -117.55 -11.3 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 126.718 2.007 . . . . 0.0 113.409 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.095 1.758 . . . . 0.0 112.613 -174.557 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -66.54 147.54 53.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.436 1.095 . . . . 0.0 112.949 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -84.17 142.97 29.95 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.062 0.945 . . . . 0.0 112.223 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.77 -164.91 38.21 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 124.714 1.149 . . . . 0.0 114.854 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -102.22 11.21 38.57 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.383 1.473 . . . . 0.0 113.703 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 m -56.61 125.21 21.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.718 1.207 . . . . 0.0 112.416 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.07 0.44 65.36 Favored Glycine 0 CA--C 1.539 1.562 0 N-CA-C 115.824 1.09 . . . . 0.0 115.824 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.56 157.68 24.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.295 1.547 . . . . 0.0 111.809 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.9 146.01 25.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.808 0.814 . . . . 0.0 112.921 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -116.91 138.59 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.466 2.307 . . . . 0.0 108.528 174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -119.79 143.96 47.56 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.256 1.022 . . . . 0.0 112.792 -169.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.93 151.13 43.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.865 1.266 . . . . 0.0 112.79 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -87.85 -12.63 44.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.621 1.568 . . . . 0.0 113.802 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -127.52 -14.7 5.2 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -144.63 -174.3 4.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.284 1.034 . . . . 0.0 112.895 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -82.52 -1.29 50.09 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.004 1.321 . . . . 0.0 113.479 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.28 146.88 49.81 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.868 -1.145 . . . . 0.0 113.249 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -144.63 156.57 44.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.94 1.296 . . . . 0.0 112.448 171.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -143.33 162.02 36.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.087 1.355 . . . . 0.0 111.807 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 tt -82.3 -1.52 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.281 1.032 . . . . 0.0 113.572 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -141.94 151.81 42.93 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.318 1.047 . . . . 0.0 111.976 169.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -66.17 -24.94 66.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.379 0.672 . . . . 0.0 112.454 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.39 -44.01 79.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.834 1.254 . . . . 0.0 111.947 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.74 -38.56 73.55 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.411 0.684 . . . . 0.0 112.305 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.3 -38.34 83.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.592 -0.692 . . . . 0.0 112.335 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.5 -42.11 86.86 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.342 -0.849 . . . . 0.0 111.772 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.5 mtm-85 -65.93 -34.1 77.34 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.999 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -62.17 -47.57 83.92 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.62 1.1 . . . . 0.0 111.221 169.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.01 -39.42 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.48 -0.762 . . . . 0.0 111.809 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.35 -43.87 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.058 0.943 . . . . 0.0 111.525 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.32 -35.39 41.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -108.02 -24.36 11.63 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -169.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -130.36 -18.51 3.22 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -81.5 149.3 28.78 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 0.0 112.521 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -148.25 160.09 43.31 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.968 1.307 . . . . 0.0 112.566 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.07 163.38 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.812 1.245 . . . . 0.0 111.79 169.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.156 1.782 . . . . 0.0 111.653 178.651 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_