data_1tkv_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 1tkv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.56 -47.41 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 124.719 1.208 . . . . 0.0 114.029 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.98 -39.86 1.27 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.5 2.72 . . . . 0.0 116.223 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.7 m -86.14 -45.57 11.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.065 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 t -56.16 -39.9 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.369 -2.082 . . . . 0.0 113.926 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -49.53 -60.23 3.04 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 129.469 3.107 . . . . 0.0 112.796 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.5 -12.6 61.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 118.186 2.662 . . . . 0.0 118.186 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.2 mt -90.63 -15.28 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.664 -1.897 . . . . 0.0 110.234 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.21 -52.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.033 -2.917 . . . . 0.0 109.215 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -57.14 -56.96 14.96 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.04 1.336 . . . . 0.0 111.375 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 t -46.1 -53.09 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 128.609 2.764 . . . . 0.0 113.053 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.95 -13.47 59.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 112.7 -3.6 . . . . 0.0 112.964 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 p -78.07 -17.33 57.13 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 119.024 -0.512 . . . . 0.0 112.178 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.7 -50.97 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 125.897 1.679 . . . . 0.0 110.536 165.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.39 -28.52 69.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.47 1.108 . . . . 0.0 112.504 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.397 54.7 mt -74.6 -44.07 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 121.186 -0.946 . . . . 0.0 112.671 170.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -40.07 59.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 126.772 2.029 . . . . 0.0 114.812 168.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -88.5 -2.49 58.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.31 -1.494 . . . . 0.0 114.314 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.262 0.9 OUTLIER 64.83 50.55 1.97 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.069 2.548 . . . . 0.0 115.038 176.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -124.81 44.85 2.67 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 130.882 3.673 . . . . 0.0 110.294 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.381 0.0 OUTLIER -53.07 -28.11 23.35 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -43.84 -39.22 3.73 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 119.518 3.155 . . . . 0.0 119.518 168.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.61 -37.97 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.258 -2.151 . . . . 0.0 113.078 173.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 t -70.07 -27.2 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 125.991 1.717 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -4.17 31.04 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.936 2.494 . . . . 0.0 115.169 -169.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.26 130.07 24.53 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 117.134 -3.478 . . . . 0.0 110.323 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -59.41 -43.24 93.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.57 29.33 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 118.29 -2.756 . . . . 0.0 115.528 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -44.2 -36.16 2.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.31 -42.81 53.7 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.304 1.842 . . . . 0.0 113.034 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.8 mt -55.51 -43.34 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 128.062 2.545 . . . . 0.0 112.807 170.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.84 67.75 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.355 -1.466 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -46.2 -44.6 16.25 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.209 2.204 . . . . 0.0 113.704 166.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.57 -52.46 64.73 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.034 -1.666 . . . . 0.0 114.517 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.63 -37.53 87.69 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.17 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.61 -49.48 77.58 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.776 2.03 . . . . 0.0 115.889 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.282 0.1 OUTLIER -87.16 -11.75 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 120.623 1.556 . . . . 0.0 111.757 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 33.0 6.58 Favored Glycine 0 N--CA 1.43 -1.706 0 N-CA-C 117.964 1.946 . . . . 0.0 117.964 171.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -80.04 120.47 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 120.54 2.17 . . . . 0.0 111.422 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.3 p -100.74 158.49 15.92 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.403 1.081 . . . . 0.0 111.065 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' CD2' ' HG3' ' A' ' 45' ' ' GLU . 5.9 t60 -82.81 -101.13 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.945 -1.722 . . . . 0.0 113.41 162.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 87.4 mt-10 -89.89 53.57 2.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.683 -1.886 . . . . 0.0 108.105 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.06 0.34 55.91 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 117.553 1.781 . . . . 0.0 117.553 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -111.99 168.44 9.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.544 1.164 . . . . 0.0 111.082 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -70.14 153.78 42.72 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.476 -1.39 . . . . 0.0 109.898 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.95 113.75 27.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.953 1.359 . . . . 0.0 113.956 -163.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -90.1 157.75 17.62 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.504 -168.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.25 -46.29 87.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -70.75 -43.06 69.6 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.026 -1.671 . . . . 0.0 114.449 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -73.2 -19.26 61.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.334 -1.479 . . . . 0.0 113.337 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.89 -53.13 60.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.653 1.581 . . . . 0.0 112.225 163.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -64.19 -37.1 86.26 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.457 -1.402 . . . . 0.0 113.34 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -62.63 -34.3 76.76 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.319 43.1 pt -65.3 -49.21 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.093 -1.629 . . . . 0.0 114.189 173.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.18 -40.94 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.0 m -83.25 -55.72 4.18 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.126 1.37 . . . . 0.0 113.948 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.606 4.4 pt-20 -74.79 13.21 0.68 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -170.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.58 157.13 4.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.835 1.654 . . . . 0.0 111.433 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -87.86 173.55 8.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.934 -1.729 . . . . 0.0 108.287 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -63.09 -41.5 99.41 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 118.963 -2.336 . . . . 0.0 112.513 170.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -46.09 -56.55 5.45 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.8 -33.81 37.27 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -81.8 -48.74 11.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.934 1.294 . . . . 0.0 108.815 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -48.97 -39.7 27.58 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.7 m -63.44 -34.94 78.85 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.77 -45.03 65.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.307 -2.12 . . . . 0.0 111.49 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.3 mt -56.47 -39.62 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 126.444 1.898 . . . . 0.0 114.061 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.27 -37.25 77.81 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -94.62 -26.33 16.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.914 -1.742 . . . . 0.0 112.912 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.29 60.01 1.32 Allowed 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 -170.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -54.0 -70.9 0.08 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -165.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -73.78 -31.28 63.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.71 1.204 . . . . 0.0 112.276 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.4 25.64 Favored Glycine 0 N--CA 1.431 -1.684 0 O-C-N 120.765 -1.209 . . . . 0.0 112.28 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 0.1 OUTLIER -70.6 -46.11 64.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 115.943 -1.98 . . . . 0.0 110.806 178.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -36.54 -61.22 0.54 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 122.558 2.436 . . . . 0.0 116.484 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.11 9.27 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 121.678 -0.639 . . . . 0.0 113.855 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.78 -19.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 118.868 -2.548 . . . . 0.0 114.377 -169.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -81.22 -18.46 46.02 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 124.972 1.309 . . . . 0.0 112.321 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -66.45 -38.8 88.16 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 115.65 -2.42 . . . . 0.0 111.477 163.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.94 -58.97 3.23 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.409 1.884 . . . . 0.0 107.113 -173.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.79 -36.29 64.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.714 -1.866 . . . . 0.0 115.331 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.33 -65.03 0.75 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 119.519 1.054 . . . . 0.0 111.021 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.272 6.2 ptp -47.87 -33.79 7.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.01 -4.41 56.68 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.486 -1.384 . . . . 0.0 111.325 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.294 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 CA-C-O 123.452 1.596 . . . . 0.0 107.853 171.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 . . . . . 0 N--CA 1.429 -1.481 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.88 -49.21 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 126.908 2.083 . . . . 0.0 114.672 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.04 -37.24 14.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.712 2.405 . . . . 0.0 114.161 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.402 ' OG1' ' CE1' ' B' ' 44' ' ' HIS . 0.2 OUTLIER -73.2 -54.66 7.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.91 1.284 . . . . 0.0 109.005 -176.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -57.54 -33.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.594 1.558 . . . . 0.0 112.174 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -55.85 -66.85 0.35 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.989 2.916 . . . . 0.0 112.084 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.95 -25.14 66.19 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 mt -72.07 -36.57 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 120.639 -1.288 . . . . 0.0 112.904 174.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.6 mt -48.09 -53.69 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 128.112 2.565 . . . . 0.0 114.387 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -67.53 -48.45 66.98 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.672 1.124 . . . . 0.0 111.521 -173.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.8 t -47.29 -33.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.525 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 165.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.68 -11.7 47.58 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 117.842 -3.036 . . . . 0.0 111.979 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 94.3 p -84.08 -26.86 28.67 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.118 -0.989 . . . . 0.0 109.794 172.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 6.8 mm -51.67 -48.7 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-N 120.457 1.481 . . . . 0.0 113.461 159.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.29 -41.14 98.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.5 mt -78.78 -20.42 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.483 -2.636 . . . . 0.0 116.044 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.94 80.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.156 -2.215 . . . . 0.0 111.649 166.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -84.14 3.24 35.84 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 61.82 39.66 13.64 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.665 1.986 . . . . 0.0 115.051 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -111.84 52.84 0.74 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.927 1.346 . . . . 0.0 111.688 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.333 0.0 OUTLIER -67.18 -6.8 19.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.111 2.634 . . . . 0.0 118.111 176.665 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -57.88 -35.61 71.23 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.603 1.961 . . . . 0.0 114.0 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.4 -38.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 125.841 1.657 . . . . 0.0 110.764 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.47 -34.8 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 111.461 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -56.65 -12.83 2.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 130.13 3.372 . . . . 0.0 117.864 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -141.3 139.22 33.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.015 -2.303 . . . . 0.0 108.478 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -55.55 -40.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.82 1.648 . . . . 0.0 114.147 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.08 -56.43 11.57 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.955 -2.341 . . . . 0.0 115.104 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -45.92 -35.42 4.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -72.44 -45.63 58.71 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 126.067 1.747 . . . . 0.0 111.987 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.88 -40.04 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 128.954 2.902 . . . . 0.0 113.829 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -53.11 61.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.724 -1.235 . . . . 0.0 111.332 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -54.79 -33.78 61.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 168.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.973 -2.33 . . . . 0.0 112.331 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.29 -31.17 71.3 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.117 -1.614 . . . . 0.0 113.789 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.37 -67.58 0.31 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.507 -1.371 . . . . 0.0 113.603 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.37 -12.48 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 121.639 0.733 . . . . 0.0 112.543 -167.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.98 40.52 6.17 Favored Glycine 0 N--CA 1.43 -1.725 0 CA-C-O 117.982 -1.455 . . . . 0.0 115.592 169.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.26 109.98 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 121.831 2.815 . . . . 0.0 109.218 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.26 127.78 53.49 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.402 ' CE1' ' OG1' ' B' ' 7' ' ' THR . 4.6 t60 -74.24 -92.57 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -92.81 51.97 1.78 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 118.751 -2.468 . . . . 0.0 108.161 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.71 15.33 68.67 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 125.053 1.311 . . . . 0.0 114.378 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -127.97 161.34 29.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.67 1.188 . . . . 0.0 109.231 -172.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.72 140.97 58.93 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.534 1.159 . . . . 0.0 112.539 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 124.69 35.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-O 122.484 1.135 . . . . 0.0 111.147 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -101.45 170.57 8.12 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 125.655 1.582 . . . . 0.0 110.852 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -42.9 75.85 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.558 -1.339 . . . . 0.0 114.179 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -72.46 -39.0 68.1 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.25 -1.531 . . . . 0.0 114.107 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.6 m -70.55 -23.56 62.64 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.027 1.331 . . . . 0.0 113.137 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -65.35 -45.4 84.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.562 1.649 . . . . 0.0 111.967 168.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -70.27 -33.16 71.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.692 -1.88 . . . . 0.0 112.918 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.264 2.4 ptmm? -56.27 -47.8 77.87 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 165.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.277 26.5 pt -58.45 -44.38 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 124.677 1.191 . . . . 0.0 112.678 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -76.46 -44.13 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -74.26 -54.37 7.85 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -78.55 -0.23 28.83 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -162.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.6 mt -41.01 142.22 0.52 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.898 2.079 . . . . 0.0 114.717 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -86.02 171.72 11.19 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.026 -1.671 . . . . 0.0 108.129 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -67.85 -37.93 82.5 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.697 -1.877 . . . . 0.0 111.848 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -58.5 -40.93 84.16 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.625 2.37 . . . . 0.0 115.428 168.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -65.32 -36.54 84.36 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.564 -1.96 . . . . 0.0 112.762 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -75.3 -46.14 35.29 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.777 1.231 . . . . 0.0 110.224 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -52.58 -37.88 58.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 126.598 1.959 . . . . 0.0 113.988 166.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -58.26 -44.84 88.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.751 -1.218 . . . . 0.0 113.174 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.8 75.98 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.835 -1.79 . . . . 0.0 112.457 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.18 -46.98 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.394 1.478 . . . . 0.0 114.017 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -70.84 -37.22 73.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.57 -35.69 15.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.221 -1.549 . . . . 0.0 112.945 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.55 68.14 0.73 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.66 -1.9 . . . . 0.0 107.193 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -57.89 -71.56 0.1 Allowed 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.02 1.328 . . . . 0.0 114.504 -170.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -58.69 -51.15 71.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.22 -52.51 43.51 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 124.339 0.971 . . . . 0.0 115.43 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -72.7 -20.87 61.15 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 119.653 1.726 . . . . 0.0 110.522 -174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -56.08 -60.31 3.66 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.399 -2.063 . . . . 0.0 112.223 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.57 1.0 Allowed Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -32.16 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.686 -2.067 . . . . 0.0 114.567 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -77.7 -13.09 60.0 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.024 1.738 . . . . 0.0 114.385 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -62.77 -47.74 82.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.589 -2.569 . . . . 0.0 112.534 159.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -64.79 -60.52 2.99 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.037 1.735 . . . . 0.0 109.248 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.0 mt -49.08 -37.32 20.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.801 2.44 . . . . 0.0 115.484 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.33 -37.03 38.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 121.91 -0.494 . . . . 0.0 111.393 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.6 ptp -76.42 -29.75 57.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.244 -1.535 . . . . 0.0 112.402 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.45 -5.63 58.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.929 -1.107 . . . . 0.0 112.031 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.341 1.7 t . . . . . 0 N--CA 1.431 -1.419 0 CA-C-O 123.596 1.665 . . . . 0.0 108.778 172.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.51 -27.16 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 128.183 2.593 . . . . 0.0 115.335 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.37 -40.34 96.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 124.111 1.91 . . . . 0.0 109.397 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 m -77.48 -42.23 36.53 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.285 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.78 -42.85 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 O-C-N 119.366 -2.084 . . . . 0.0 113.595 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.74 -51.84 67.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 129.147 2.979 . . . . 0.0 112.118 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 120.074 -1.641 . . . . 0.0 112.574 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mt -69.55 -35.44 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.111 -2.243 . . . . 0.0 112.205 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -50.7 -44.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.202 2.601 . . . . 0.0 115.906 169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -66.32 -47.24 74.18 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.605 -1.31 . . . . 0.0 110.633 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.37 -49.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.195 2.998 . . . . 0.0 114.2 171.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -30.61 69.59 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.287 -2.133 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -76.88 -11.55 59.84 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.121 -2.862 . . . . 0.0 115.001 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 mm -65.71 -49.11 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 124.923 1.289 . . . . 0.0 107.887 166.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 4.8 mt -61.01 -33.64 73.58 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.717 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.7 mt -80.75 -25.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 111.92 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -60.5 -43.78 96.67 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.711 -1.868 . . . . 0.0 112.169 169.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -89.21 -5.92 57.29 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.855 1.662 . . . . 0.0 112.124 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t 59.33 49.49 8.84 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 117.63 2.455 . . . . 0.0 117.63 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -108.4 46.48 0.96 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 128.804 2.842 . . . . 0.0 112.069 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.339 0.0 OUTLIER -64.56 -17.05 63.59 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 -176.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.82 -39.02 11.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 164.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.13 -42.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.931 -1.731 . . . . 0.0 112.798 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -67.55 -33.97 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.401 1.88 . . . . 0.0 113.808 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.272 6.6 pt-20 -59.36 -20.62 56.2 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -168.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -133.42 140.35 47.27 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.337 -2.102 . . . . 0.0 114.124 167.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.253 0.7 OUTLIER -38.26 -52.9 1.49 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 128.628 2.771 . . . . 0.0 114.597 175.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 -22.58 45.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.777 -2.452 . . . . 0.0 115.787 -171.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -73.87 -38.56 64.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.24 -1.537 . . . . 0.0 107.814 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.17 -62.74 1.55 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.814 2.446 . . . . 0.0 115.397 168.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.286 7.6 mt -40.72 -44.64 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 166.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.12 91.13 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 117.959 -2.963 . . . . 0.0 113.078 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CZ ' HD12 ' A' ' 18' ' ' LEU . 25.0 t80 -55.4 -47.22 76.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.994 2.917 . . . . 0.0 111.835 167.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.54 -44.71 62.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.913 1.688 . . . . 0.0 114.803 173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -66.96 -28.65 68.45 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.719 -1.238 . . . . 0.0 113.536 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -72.61 -54.75 8.25 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.487 -1.383 . . . . 0.0 112.304 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.78 -21.07 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.06 45.9 3.22 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 124.501 1.048 . . . . 0.0 115.197 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.67 118.42 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 120.353 -1.675 . . . . 0.0 109.795 170.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -112.51 149.71 32.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.572 1.149 . . . . 0.0 108.218 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -76.91 -95.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.947 -1.096 . . . . 0.0 111.625 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.38 14.87 1.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.785 -1.822 . . . . 0.0 114.892 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.42 4.23 62.58 Favored Glycine 0 N--CA 1.429 -1.772 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -164.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -96.43 138.74 33.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 100.222 -3.992 . . . . 0.0 100.222 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' HZ3' ' CD ' ' B' ' 75' ' ' GLU . 95.2 mttt -78.36 143.56 36.76 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 128.44 36.32 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.881 1.324 . . . . 0.0 111.986 -151.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -98.66 154.57 17.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.733 1.213 . . . . 0.0 109.754 -172.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.94 -33.71 76.45 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.118 -1.614 . . . . 0.0 114.554 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -70.11 -57.15 5.28 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.12 1.368 . . . . 0.0 113.017 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.1 m -70.4 -10.62 59.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 118.784 -2.447 . . . . 0.0 116.558 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.3 -57.68 10.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.012 1.325 . . . . 0.0 111.561 161.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -65.76 -25.42 67.27 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 121.061 -1.024 . . . . 0.0 112.675 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.306 35.7 pttt -63.46 -48.69 76.65 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 164.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.28 26.3 pt -59.66 -44.34 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 119.609 -1.932 . . . . 0.0 114.009 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.9 -38.83 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -92.05 -26.68 18.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 118.07 2.618 . . . . 0.0 118.07 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -83.04 1.05 42.02 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 124.922 3.51 . . . . 0.0 114.88 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -48.51 141.46 6.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.729 1.612 . . . . 0.0 114.86 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.3 p -81.28 169.08 17.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.315 -0.866 . . . . 0.0 109.187 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.28 -33.94 73.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.182 -2.199 . . . . 0.0 110.647 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -34.86 76.61 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 125.337 1.455 . . . . 0.0 114.674 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -65.14 -39.33 92.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.367 1.556 . . . . 0.0 113.198 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -74.02 -46.55 42.77 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.858 1.263 . . . . 0.0 110.867 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -39.01 65.16 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.864 1.666 . . . . 0.0 113.618 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 m -62.09 -39.86 93.89 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.581 -1.949 . . . . 0.0 114.281 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.5 -40.26 89.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.18 -37.41 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.867 1.267 . . . . 0.0 112.379 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.18 -38.19 72.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -82.77 -40.37 20.57 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 120.182 1.355 . . . . 0.0 113.202 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.267 52.8 m-85 -125.42 66.77 1.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.93 2.492 . . . . 0.0 111.345 -167.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.92 -63.82 1.17 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.429 1.492 . . . . 0.0 114.578 -163.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -71.87 -38.86 69.96 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.848 1.659 . . . . 0.0 111.696 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.01 9.06 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 126.661 2.077 . . . . 0.0 113.459 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.312 1.1 t80 -72.76 -32.67 65.81 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.563 -0.963 . . . . 0.0 111.263 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -48.25 -57.34 6.09 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.697 -2.502 . . . . 0.0 114.602 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.03 -64.42 3.53 Favored Glycine 0 N--CA 1.43 -1.702 0 O-C-N 120.554 -1.341 . . . . 0.0 113.746 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.71 -20.13 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.562 -2.728 . . . . 0.0 113.92 -166.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -87.28 -11.05 50.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.331 -1.481 . . . . 0.0 112.469 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.45 -40.06 95.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.662 -2.524 . . . . 0.0 111.164 159.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -69.29 -53.38 20.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.046 2.138 . . . . 0.0 108.138 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.65 -51.92 67.89 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.43 -1.419 . . . . 0.0 111.827 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -56.01 -36.59 68.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.0 ptp -82.67 -21.98 34.76 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 121.169 -0.957 . . . . 0.0 112.529 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.58 4.78 50.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.505 -1.372 . . . . 0.0 111.661 -174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 122.975 1.369 . . . . 0.0 108.77 171.393 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 CA--C 1.489 -1.396 0 CA-C-O 124.107 1.908 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.4 tt -62.55 -38.49 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 113.034 -1.893 . . . . 0.0 114.491 -176.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.84 -47.21 77.67 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 128.183 2.593 . . . . 0.0 113.776 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -75.14 -41.83 57.45 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.614 1.166 . . . . 0.0 109.959 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 36.9 t -53.38 -40.06 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 119.934 -1.729 . . . . 0.0 114.083 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -54.81 -56.87 14.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 128.851 2.86 . . . . 0.0 113.229 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -50.06 -47.68 53.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.285 1.834 . . . . 0.0 115.177 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mt -79.86 -27.85 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 120.017 -1.677 . . . . 0.0 113.678 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -48.19 -56.93 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 127.112 2.165 . . . . 0.0 113.171 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -69.9 -38.39 76.3 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.669 -1.269 . . . . 0.0 113.178 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -51.36 -46.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 165.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.23 63.33 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 117.519 -3.238 . . . . 0.0 113.788 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 p -72.03 -18.75 61.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.159 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.73 -55.22 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 124.827 1.251 . . . . 0.0 111.201 162.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.15 -39.29 89.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.871 -1.143 . . . . 0.0 111.053 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.54 -33.67 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.023 1.729 . . . . 0.0 110.961 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.15 79.72 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 120.687 1.585 . . . . 0.0 112.284 168.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -86.67 10.19 16.43 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.38 28.66 16.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.65 49.18 1.11 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.031 2.132 . . . . 0.0 110.608 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.318 0.0 OUTLIER -61.41 -16.72 49.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 168.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -51.17 -31.44 20.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.24 -47.69 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.694 1.198 . . . . 0.0 111.224 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.72 -39.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.431 2.692 . . . . 0.0 112.032 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -50.42 -14.14 0.16 Allowed 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 130.419 3.487 . . . . 0.0 119.83 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -144.22 131.28 20.52 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.818 -2.426 . . . . 0.0 110.57 167.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -31.04 -49.57 0.13 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.882 2.873 . . . . 0.0 114.939 164.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.73 42.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.252 -2.155 . . . . 0.0 111.739 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -66.17 -41.67 90.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.155 -2.216 . . . . 0.0 111.959 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.69 -50.5 72.97 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.057 1.743 . . . . 0.0 113.761 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -51.95 -48.39 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.29 2.236 . . . . 0.0 113.345 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.31 95.53 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 114.157 -3.017 . . . . 0.0 115.635 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -56.61 -38.96 72.77 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.075 1.75 . . . . 0.0 113.06 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.9 -41.83 75.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.597 -2.564 . . . . 0.0 113.055 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -72.15 -20.32 61.63 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.853 1.261 . . . . 0.0 111.095 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.353 18.0 mt-10 -71.6 -54.91 8.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 119.192 -1.003 . . . . 0.0 113.053 171.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.98 -17.03 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.024 -1.673 . . . . 0.0 110.306 -166.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 36.82 12.61 Favored Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 115.816 1.087 . . . . 0.0 115.816 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -79.23 118.1 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 CA-C-N 118.773 1.287 . . . . 0.0 110.413 162.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -116.87 147.22 42.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.102 0.961 . . . . 0.0 109.2 -174.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.261 47.0 t60 -75.63 -90.05 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -93.94 50.89 1.46 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.264 -2.148 . . . . 0.0 111.765 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.7 1.15 44.56 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 125.363 1.459 . . . . 0.0 115.42 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -93.91 138.87 31.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.771 1.628 . . . . 0.0 110.404 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -62.21 121.1 12.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.494 1.118 . . . . 0.0 108.204 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.33 130.74 36.54 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 122.632 1.206 . . . . 0.0 110.602 -146.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -94.79 154.97 17.02 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.364 -0.835 . . . . 0.0 111.486 -170.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.22 -39.84 74.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -74.15 -37.98 63.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.118 -1.614 . . . . 0.0 113.774 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.5 m -81.34 -15.14 56.24 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.048 -1.657 . . . . 0.0 113.124 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.15 -50.65 67.34 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.677 1.591 . . . . 0.0 111.406 162.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -69.38 -23.34 63.72 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.961 -1.712 . . . . 0.0 112.322 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.257 8.8 ptmt -61.48 -55.6 29.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 161.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 26.5 pt -54.85 -41.95 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.88 -41.13 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 N-CA-C 114.428 1.269 . . . . 0.0 114.428 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -85.3 -47.92 9.57 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.401 4.7 pt-20 -78.2 15.49 0.93 Allowed 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 120.905 1.684 . . . . 0.0 114.989 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.67 133.34 56.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.077 0.941 . . . . 0.0 111.375 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -75.29 170.05 16.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.552 -1.343 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -69.35 -37.32 77.59 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 120.265 -1.522 . . . . 0.0 112.131 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.38 -28.51 67.99 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 170.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -65.0 -39.02 92.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.673 -1.892 . . . . 0.0 111.811 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -77.75 -41.03 39.0 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.664 -1.897 . . . . 0.0 110.042 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.68 63.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.504 1.522 . . . . 0.0 112.826 166.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -59.54 -42.51 92.5 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.233 -0.917 . . . . 0.0 113.439 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.04 -37.22 78.48 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.255 -1.528 . . . . 0.0 112.36 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.4 -41.41 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.295 -1.503 . . . . 0.0 112.593 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -68.03 -37.43 81.35 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.337 -1.477 . . . . 0.0 114.428 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -87.1 -28.06 22.75 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.732 -1.855 . . . . 0.0 115.129 -175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -136.7 66.19 1.49 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 120.354 -1.466 . . . . 0.0 110.776 -169.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -51.04 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.488 ' CD ' ' HZ3' ' A' ' 48' ' ' LYS . 3.0 mp0 -75.88 -30.88 58.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.702 -1.874 . . . . 0.0 111.382 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.12 -56.37 8.04 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 125.135 1.35 . . . . 0.0 112.227 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.375 0.2 OUTLIER -70.94 -37.27 72.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 117.77 -1.109 . . . . 0.0 109.477 -176.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -46.73 -57.33 4.96 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.54 -53.78 33.21 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 119.89 -1.756 . . . . 0.0 114.681 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.74 -19.86 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.056 -3.026 . . . . 0.0 111.693 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -75.05 -23.13 58.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.354 -1.466 . . . . 0.0 112.972 172.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -64.3 -38.21 90.23 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 125.246 2.451 . . . . 0.0 112.192 169.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.12 -53.4 25.6 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 111.639 -2.528 . . . . 0.0 108.936 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.67 -20.73 63.76 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.854 -2.404 . . . . 0.0 116.882 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.15 -44.95 18.99 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.126 -2.234 . . . . 0.0 110.327 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.48 -26.07 57.89 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.062 -2.274 . . . . 0.0 112.984 -164.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -91.8 4.92 51.73 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.564 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.385 15.4 t . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 124.437 2.065 . . . . 0.0 111.189 173.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' CG2' ' H ' ' A' ' 6' ' ' ASP . 18.3 tt -42.82 -57.96 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 127.709 2.404 . . . . 0.0 117.09 -179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.44 ' H ' ' CG2' ' A' ' 5' ' ' ILE . 43.5 m-20 -50.52 -40.78 52.49 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.001 1.72 . . . . 0.0 114.384 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -55.64 -48.96 74.11 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.473 1.509 . . . . 0.0 109.621 172.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.03 -63.24 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 125.491 1.517 . . . . 0.0 110.307 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -32.59 -58.9 0.33 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.862 3.665 . . . . 0.0 120.594 164.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.56 -29.37 65.8 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 113.576 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.1 mt -75.56 -34.64 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 120.578 -1.326 . . . . 0.0 111.266 173.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.32 -53.85 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.005 2.122 . . . . 0.0 112.976 168.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -53.96 -46.88 71.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 120.849 1.659 . . . . 0.0 115.405 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.04 -45.23 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 119.958 -1.714 . . . . 0.0 113.318 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.66 87.05 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.667 -1.27 . . . . 0.0 113.254 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -73.06 -13.82 61.28 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' CG2' ' B' ' 17' ' ' ILE . 0.9 OUTLIER -72.18 -40.43 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.982 2.113 . . . . 0.0 110.339 167.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.16 -27.14 68.51 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.229 -2.794 . . . . 0.0 112.514 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.347 48.9 mt -79.56 -45.56 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.492 -1.38 . . . . 0.0 111.452 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -36.22 -52.82 0.81 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 161.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.4 -18.21 57.48 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.319 0.9 OUTLIER 72.97 49.07 0.16 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.484 2.313 . . . . 0.0 115.385 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.63 42.99 3.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.906 3.282 . . . . 0.0 113.039 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -60.25 -16.3 32.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -179.105 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -28.4 -49.19 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.537 2.735 . . . . 0.0 117.816 164.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.53 -43.52 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.709 1.604 . . . . 0.0 112.253 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.48 -35.27 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.777 1.631 . . . . 0.0 113.849 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.9 -29.74 70.41 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -110.35 119.21 38.5 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.221 -1.549 . . . . 0.0 108.698 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -42.93 -54.63 4.12 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.971 2.508 . . . . 0.0 113.24 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.13 56.11 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -86.03 -31.55 21.93 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.523 1.154 . . . . 0.0 108.724 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.83 -55.39 35.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.342 1.457 . . . . 0.0 111.629 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -57.67 -40.11 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.018 2.527 . . . . 0.0 114.075 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.1 72.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.512 -1.368 . . . . 0.0 113.521 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -80.58 -33.36 36.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.392 -1.443 . . . . 0.0 109.578 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.72 -49.33 75.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.578 -1.951 . . . . 0.0 112.851 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.06 -22.25 66.72 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.82 -47.44 12.83 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.059 1.3 . . . . 0.0 113.042 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.252 0.2 OUTLIER -83.59 -5.92 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.116 -1.615 . . . . 0.0 113.32 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 51.08 17.09 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.648 -1.282 . . . . 0.0 115.016 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.3 t -80.44 110.01 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 162.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -112.38 123.65 50.76 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.266 9.9 t60 -64.74 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 31.2 mt-10 -101.75 57.0 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.561 -1.962 . . . . 0.0 107.594 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.66 9.93 59.81 Favored Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 116.373 1.309 . . . . 0.0 116.373 -167.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -126.77 163.54 23.33 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.751 2.776 . . . . 0.0 107.597 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -82.39 175.59 10.12 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.796 0.839 . . . . 0.0 112.606 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.21 127.56 55.02 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 123.343 1.544 . . . . 0.0 113.839 -161.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -93.09 159.66 15.2 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 111.164 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -66.72 -32.63 74.05 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.0 -1.687 . . . . 0.0 114.863 173.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -72.22 -48.54 42.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 111.984 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 -36.19 80.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.43 -60.7 2.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.293 1.044 . . . . 0.0 112.46 170.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -61.85 -22.45 65.53 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.363 23.9 pttt -59.14 -52.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.953 1.252 . . . . 0.0 114.176 164.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.285 0.0 OUTLIER -61.57 -50.59 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 118.995 -2.315 . . . . 0.0 112.856 -174.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.25 -32.48 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -92.45 -39.11 11.6 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.9 9.49 14.23 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.288 -2.133 . . . . 0.0 114.578 -167.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.11 150.92 5.34 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.653 1.581 . . . . 0.0 113.803 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -88.25 169.43 11.87 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 171.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -67.11 -28.19 67.95 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.764 -2.46 . . . . 0.0 112.08 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.2 -38.68 90.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.304 1.442 . . . . 0.0 113.297 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.15 -36.9 83.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 120.576 -1.327 . . . . 0.0 113.583 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -82.34 -31.06 30.05 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.626 -1.296 . . . . 0.0 111.523 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -37.54 87.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.006 0.923 . . . . 0.0 111.377 166.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -59.71 -43.19 94.25 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 121.213 -0.929 . . . . 0.0 112.276 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.48 -50.9 56.91 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.373 1.069 . . . . 0.0 111.568 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -50.96 -40.95 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 126.211 1.804 . . . . 0.0 113.831 172.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -59.13 -41.79 89.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 126.229 1.812 . . . . 0.0 114.183 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -93.75 -32.44 14.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.784 -1.823 . . . . 0.0 114.755 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -124.56 69.26 1.09 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -168.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -57.39 -70.96 0.11 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.108 1.363 . . . . 0.0 112.373 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.08 -42.14 97.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.663 1.585 . . . . 0.0 112.76 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -60.25 8.34 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 125.885 1.707 . . . . 0.0 114.374 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.274 0.2 OUTLIER -71.32 -44.19 65.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 116.764 -1.589 . . . . 0.0 109.636 -174.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -43.61 -54.42 4.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 121.017 1.735 . . . . 0.0 114.798 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.23 -62.76 5.53 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 116.197 1.239 . . . . 0.0 116.197 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.46 -23.71 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 118.927 -2.513 . . . . 0.0 115.468 -172.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -78.3 -17.34 56.74 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.102 1.361 . . . . 0.0 112.734 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -66.11 -43.35 87.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.052 -1.655 . . . . 0.0 111.983 160.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.33 -54.64 25.94 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.588 1.555 . . . . 0.0 108.364 -171.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -49.54 -59.29 3.89 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.235 -1.54 . . . . 0.0 112.097 174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -42.53 50.21 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -174.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.0 ptp -78.95 -26.29 43.58 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -85.58 -6.93 59.11 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 118.779 -2.45 . . . . 0.0 111.604 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.584 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.428 0 C-N-CA 126.594 1.958 . . . . 0.0 112.314 169.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 122.825 1.297 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 tt -61.22 -47.08 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 C-N-CA 126.229 1.812 . . . . 0.0 112.837 -168.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -63.19 -33.73 76.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.3 m -70.28 -48.88 54.74 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.026 -1.046 . . . . 0.0 111.078 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.95 -41.59 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 172.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -64.14 -58.44 6.61 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 130.324 3.449 . . . . 0.0 112.053 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.64 -28.69 70.09 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.84 -28.83 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.167 -2.833 . . . . 0.0 113.366 170.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -57.12 -55.75 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 118.725 -2.485 . . . . 0.0 113.317 173.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.1 p -60.84 -36.3 78.78 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.224 1.81 . . . . 0.0 113.4 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.19 -44.98 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.194 1.798 . . . . 0.0 113.04 172.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.83 65.09 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.953 -2.342 . . . . 0.0 111.903 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p -54.82 -40.56 69.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.432 HG22 ' CE2' ' B' ' 21' ' ' PHE . 0.7 OUTLIER -49.88 -45.0 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 125.262 1.425 . . . . 0.0 113.244 167.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.78 -42.55 93.58 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.088 -1.633 . . . . 0.0 114.33 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.409 HG13 ' H ' ' B' ' 19' ' ' ILE . 3.4 mt -65.31 -38.49 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-O 117.305 -1.331 . . . . 0.0 113.034 173.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -46.35 -57.12 4.91 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 121.842 2.11 . . . . 0.0 113.278 166.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . 0.432 ' CE2' HG22 ' B' ' 17' ' ' ILE . 19.8 m-85 -74.0 -26.51 60.49 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.292 15.5 t 95.79 47.44 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.686 2.794 . . . . 0.0 111.064 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -123.92 51.79 1.51 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 128.637 2.775 . . . . 0.0 106.819 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -15.42 57.76 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.178 -1.576 . . . . 0.0 112.78 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -58.46 -24.44 60.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.198 1.799 . . . . 0.0 115.657 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.12 -48.93 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.128 -1.607 . . . . 0.0 109.507 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 -38.36 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.491 2.316 . . . . 0.0 112.394 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -54.84 -18.54 4.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.245 3.018 . . . . 0.0 117.627 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.18 137.11 54.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.75 -1.218 . . . . 0.0 109.716 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -57.57 -56.47 21.43 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.883 -1.761 . . . . 0.0 112.084 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.4 97.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -168.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -73.23 -26.18 61.02 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.707 -1.871 . . . . 0.0 113.202 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -69.05 -48.04 63.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.857 1.663 . . . . 0.0 110.723 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.93 -36.34 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 C-N-CA 128.802 2.841 . . . . 0.0 112.969 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.32 76.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 125.101 1.361 . . . . 0.0 107.731 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -58.67 -36.28 73.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 166.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.32 -41.84 90.01 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.604 -1.935 . . . . 0.0 113.035 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.18 -25.52 64.38 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.952 -1.718 . . . . 0.0 114.582 169.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.99 -60.59 2.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.83 1.252 . . . . 0.0 112.536 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.93 -14.26 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.613 1.197 . . . . 0.0 111.485 -170.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.67 47.92 5.18 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 117.864 -1.52 . . . . 0.0 115.28 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.51 117.65 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-N 122.421 3.111 . . . . 0.0 104.804 160.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -125.26 132.97 52.85 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.203 1.001 . . . . 0.0 109.48 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -71.41 -84.02 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -170.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -90.13 38.23 0.92 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.286 -2.759 . . . . 0.0 109.947 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.73 2.82 71.27 Favored Glycine 0 N--CA 1.43 -1.739 0 O-C-N 119.615 -1.928 . . . . 0.0 114.818 -166.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -102.97 147.67 26.64 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.053 1.341 . . . . 0.0 111.006 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -77.61 143.2 38.44 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.982 -1.074 . . . . 0.0 113.793 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -85.69 124.82 32.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.723 -1.236 . . . . 0.0 113.897 -156.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -84.16 164.69 19.0 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.485 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.13 -2.232 . . . . 0.0 112.861 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.25 -38.14 60.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.788 -1.195 . . . . 0.0 112.622 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.1 m -75.97 -30.61 58.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.809 -1.182 . . . . 0.0 112.551 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -66.06 -45.58 80.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.83 0.824 . . . . 0.0 108.979 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -65.14 -36.32 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.699 -1.876 . . . . 0.0 115.767 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -63.49 -25.26 68.18 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.454 0.1 OUTLIER -68.31 -51.72 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 162.272 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -80.29 -37.75 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -66.37 -60.75 2.47 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.353 -2.092 . . . . 0.0 115.785 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.94 10.81 20.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.682 -1.886 . . . . 0.0 115.835 -159.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.1 mt -51.49 134.14 29.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.061 2.144 . . . . 0.0 115.824 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.5 p -61.78 150.06 38.15 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -56.27 -45.08 80.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 112.786 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -54.33 -43.86 71.59 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.94 -27.85 65.09 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.039 -1.663 . . . . 0.0 113.609 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -76.83 -44.55 31.99 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.65 -1.906 . . . . 0.0 110.239 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -60.4 -30.66 69.74 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.746 1.218 . . . . 0.0 113.179 169.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.1 m -59.56 -45.53 91.57 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.271 1.829 . . . . 0.0 110.998 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.75 -36.9 62.61 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.549 -1.97 . . . . 0.0 112.382 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.22 -43.06 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.26 -1.525 . . . . 0.0 113.556 167.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -63.38 -49.57 73.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -93.62 -25.46 17.51 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -166.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -121.28 67.25 0.88 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.863 2.065 . . . . 0.0 109.907 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -57.63 -71.75 0.1 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.234 -1.541 . . . . 0.0 115.132 -166.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.22 -43.34 82.29 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.05 -44.77 65.34 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.695 -1.253 . . . . 0.0 115.106 -172.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.351 0.2 OUTLIER -74.75 -36.22 62.62 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 118.675 1.238 . . . . 0.0 109.843 -176.232 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -44.83 -59.29 2.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.331 1.878 . . . . 0.0 114.367 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.58 -65.57 3.17 Favored Glycine 0 N--CA 1.429 -1.788 0 N-CA-C 115.768 1.067 . . . . 0.0 115.768 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -68.02 -20.47 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.134 -2.392 . . . . 0.0 114.657 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -80.63 -20.93 42.06 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.845 -1.784 . . . . 0.0 113.706 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -61.63 -41.88 98.12 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.594 -1.642 . . . . 0.0 112.941 163.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.19 -54.12 20.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 128.269 2.628 . . . . 0.0 107.954 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.0 -48.85 78.78 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -57.1 -43.08 81.88 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.8 ptp -75.82 -24.26 55.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.429 1.109 . . . . 0.0 112.95 -173.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -89.16 -3.75 58.5 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.912 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.52 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.482 0 CA-C-O 123.456 1.598 . . . . 0.0 110.55 169.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 N--CA 1.43 -1.471 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -62.43 -43.24 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 127.739 2.415 . . . . 0.0 112.147 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.22 -39.64 71.59 Favored 'General case' 0 CA--C 1.488 -1.407 0 C-N-CA 124.68 1.192 . . . . 0.0 113.02 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -70.91 -39.53 72.68 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.7 -1.25 . . . . 0.0 111.164 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.69 -37.26 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.104 -2.248 . . . . 0.0 114.862 165.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -71.53 -48.79 46.52 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.131 1.772 . . . . 0.0 112.525 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.98 -30.72 71.73 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 113.252 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mt -80.36 -19.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.479 -2.013 . . . . 0.0 113.444 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.1 -53.95 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 117.815 -3.053 . . . . 0.0 110.443 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -58.73 -42.78 89.55 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.3 -45.83 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.655 1.982 . . . . 0.0 114.527 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.91 77.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.598 -1.939 . . . . 0.0 112.631 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.8 p -63.32 -29.09 70.46 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 mm -51.25 -54.47 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 164.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.12 -41.38 83.5 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.55 -34.25 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -50.95 -41.42 59.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.878 -2.389 . . . . 0.0 113.914 165.535 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -90.03 12.75 16.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t 50.91 38.95 21.51 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.763 2.025 . . . . 0.0 115.331 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 25' ' ' ASP . 1.1 mmp_? -115.34 56.52 0.75 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.877 1.322 . . . . 0.0 110.238 175.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -6.12 23.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 169.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 23' ' ' ARG . 2.0 m-20 -50.94 -36.04 36.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.472 2.709 . . . . 0.0 114.869 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.4 mt -76.69 -43.78 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 125.413 1.485 . . . . 0.0 111.627 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.88 -44.72 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.395 1.878 . . . . 0.0 112.592 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.11 -14.02 0.98 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 130.381 3.472 . . . . 0.0 116.713 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -127.57 114.74 17.81 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.546 -1.972 . . . . 0.0 111.956 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -32.56 -64.34 0.18 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.702 3.201 . . . . 0.0 114.712 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -44.85 84.59 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.62 -36.05 73.44 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.02 -49.33 72.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.415 1.886 . . . . 0.0 112.727 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.6 -39.85 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 128.485 2.714 . . . . 0.0 113.465 169.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.16 74.68 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 123.877 0.871 . . . . 0.0 109.713 175.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -53.09 -43.35 66.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.649 1.98 . . . . 0.0 115.153 167.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.42 -44.08 88.94 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.433 -2.042 . . . . 0.0 113.734 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -72.77 -24.73 60.99 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.992 -1.692 . . . . 0.0 114.327 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.88 -46.04 59.2 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.65 1.58 . . . . 0.0 111.928 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.9 pt -89.63 -12.64 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.651 -1.281 . . . . 0.0 112.349 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.5 28.83 13.35 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.319 2.3 t -70.35 110.85 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 119.433 1.617 . . . . 0.0 108.956 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 p -102.92 142.91 33.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.87 1.268 . . . . 0.0 107.596 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -73.29 -95.09 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.515 -1.366 . . . . 0.0 112.302 168.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.82 47.44 1.1 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.12 -2.237 . . . . 0.0 110.193 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.56 -9.09 75.0 Favored Glycine 0 N--CA 1.43 -1.74 0 O-C-N 121.432 -0.792 . . . . 0.0 113.534 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -95.93 138.35 33.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.587 1.555 . . . . 0.0 109.544 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -63.46 147.19 51.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.145 -0.972 . . . . 0.0 111.043 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.88 123.34 31.9 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.492 -1.38 . . . . 0.0 114.409 -162.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -93.32 161.0 14.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.6 1.16 . . . . 0.0 110.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -73.33 -31.68 64.13 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.845 -1.785 . . . . 0.0 115.007 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -77.16 -40.39 45.64 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.567 -1.333 . . . . 0.0 113.427 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.1 m -74.21 -23.36 59.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.474 -1.391 . . . . 0.0 113.962 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -58.72 -53.28 60.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.007 1.323 . . . . 0.0 109.999 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -29.72 70.42 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.773 -1.205 . . . . 0.0 113.617 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 31.5 pttt -66.46 -42.89 86.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.958 1.708 . . . . 0.0 115.152 169.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.346 44.4 pt -56.53 -48.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 113.097 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -78.44 -41.7 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -80.93 -55.4 4.82 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.367 6.6 pt-20 -82.93 21.37 1.05 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -166.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.35 151.95 12.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.542 1.537 . . . . 0.0 112.855 165.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 p -78.91 170.0 17.35 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.419 -2.051 . . . . 0.0 111.739 173.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -60.33 -40.89 92.25 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.198 -1.564 . . . . 0.0 112.875 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.3 -31.92 70.71 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 124.864 1.266 . . . . 0.0 114.335 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.07 -41.01 97.71 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.108 1.432 . . . . 0.0 111.243 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -72.67 -46.46 53.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.74 1.616 . . . . 0.0 110.204 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -35.43 65.17 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.4 m -62.99 -39.72 95.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.112 -0.993 . . . . 0.0 112.772 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.15 -45.42 66.82 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.09 0.956 . . . . 0.0 112.004 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -49.17 -47.92 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.84 1.656 . . . . 0.0 113.604 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -66.48 -31.9 72.93 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -93.69 -37.08 12.01 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -114.37 65.54 0.67 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.386 1.475 . . . . 0.0 108.041 -170.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -59.76 -69.18 0.22 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -166.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.05 -32.94 74.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.773 -1.829 . . . . 0.0 114.341 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 -59.43 4.91 Favored Glycine 0 N--CA 1.43 -1.753 0 C-N-CA 125.045 1.307 . . . . 0.0 113.12 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.255 0.9 OUTLIER -77.06 -13.32 59.97 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.119 -1.224 . . . . 0.0 110.83 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.03 -61.46 2.62 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.15 -2.219 . . . . 0.0 110.452 165.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.72 -55.06 12.26 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 124.117 0.865 . . . . 0.0 114.859 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.39 -22.34 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 119.72 -2.047 . . . . 0.0 111.508 -167.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -76.13 -36.08 58.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.576 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.255 26.2 mmt180 -48.15 -46.73 34.81 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 120.753 1.615 . . . . 0.0 112.75 168.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.77 -53.1 59.55 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.599 1.56 . . . . 0.0 109.632 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.44 -37.72 86.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.956 -1.715 . . . . 0.0 114.883 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -70.28 -36.0 74.1 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.26 -1.525 . . . . 0.0 113.379 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.5 ptp -80.16 -26.87 39.14 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.224 -1.548 . . . . 0.0 115.088 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.87 -3.56 57.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.557 -1.339 . . . . 0.0 112.208 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.31 12.7 t . . . . . 0 N--CA 1.43 -1.453 0 O-C-N 120.644 -1.285 . . . . 0.0 113.489 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.483 ' CG2' ' H ' ' B' ' 6' ' ' ASP . 6.6 tt -46.93 -58.3 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 C-N-CA 127.13 2.172 . . . . 0.0 115.171 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.483 ' H ' ' CG2' ' B' ' 5' ' ' ILE . 74.5 m-20 -32.12 -47.1 0.13 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.662 2.385 . . . . 0.0 116.853 172.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -51.48 65.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.646 1.578 . . . . 0.0 111.733 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.8 -39.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.769 2.028 . . . . 0.0 111.032 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -52.45 -59.11 4.82 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 129.504 3.122 . . . . 0.0 115.079 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.27 -28.21 66.1 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.131 -2.231 . . . . 0.0 114.736 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -73.09 -37.5 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.252 -2.155 . . . . 0.0 112.352 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.17 -42.32 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.126 2.57 . . . . 0.0 116.735 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -67.69 -47.83 68.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.3 t -51.51 -42.89 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 168.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.82 81.38 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.726 -1.234 . . . . 0.0 111.237 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.417 ' HB3' HG11 ' B' ' 80' ' ' VAL . 15.5 p -62.45 -25.11 67.8 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 12.4 mm -62.06 -48.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 124.944 1.298 . . . . 0.0 111.619 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.33 -37.94 89.24 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.344 -1.473 . . . . 0.0 113.041 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' B' ' 24' ' ' GLU . 14.5 mt -64.76 -30.77 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 124.971 1.309 . . . . 0.0 113.06 173.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -32.04 72.93 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.394 1.478 . . . . 0.0 113.305 173.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -100.73 10.53 41.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.417 -1.427 . . . . 0.0 114.11 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t 74.05 20.02 2.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.749 1.62 . . . . 0.0 114.017 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -104.48 36.34 2.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.27 1.828 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.413 ' HB3' HG12 ' B' ' 19' ' ' ILE 0.285 0.0 OUTLIER -56.8 -24.38 50.24 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.106 1.763 . . . . 0.0 115.591 169.77 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -38.46 -42.1 0.71 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.171 2.656 . . . . 0.0 118.171 160.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.2 mt -68.88 -42.58 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 O-C-N 120.428 -1.42 . . . . 0.0 111.06 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.45 -33.0 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 124.788 1.235 . . . . 0.0 112.052 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.33 -18.77 29.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.909 2.884 . . . . 0.0 118.046 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -127.29 125.97 41.8 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.835 -1.79 . . . . 0.0 112.477 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -46.84 -60.88 2.14 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.147 2.579 . . . . 0.0 114.656 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.1 -15.64 60.06 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -79.17 -38.05 36.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.839 -1.163 . . . . 0.0 109.28 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.55 -53.07 62.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.232 1.013 . . . . 0.0 113.308 172.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.22 -37.8 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 127.017 2.127 . . . . 0.0 113.726 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.24 71.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 112.881 172.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -35.55 34.91 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 176.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.78 -46.01 88.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 119.677 1.126 . . . . 0.0 112.388 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.27 -40.28 93.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -52.91 -61.81 2.06 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 119.971 1.26 . . . . 0.0 113.759 170.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.4 pt -79.94 -17.37 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -170.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.43 50.7 5.59 Favored Glycine 0 N--CA 1.43 -1.764 0 O-C-N 120.945 -1.097 . . . . 0.0 115.413 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.36 118.09 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 123.32 1.533 . . . . 0.0 107.242 159.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -101.94 158.12 16.37 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.501 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.296 7.4 t60 -79.86 -96.96 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 151.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.21 42.13 1.05 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.66 -2.525 . . . . 0.0 111.201 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.45 17.3 72.43 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 120.298 -1.501 . . . . 0.0 114.559 -162.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -114.76 158.28 22.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.728 -2.043 . . . . 0.0 107.236 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -70.54 144.9 51.16 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.818 0.818 . . . . 0.0 111.547 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.39 130.13 37.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 122.776 1.274 . . . . 0.0 110.988 -170.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.46 151.06 20.37 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.291 1.036 . . . . 0.0 109.685 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.96 -30.26 69.5 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.89 -50.79 26.23 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.603 -1.311 . . . . 0.0 113.318 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -68.21 -25.38 65.19 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.312 -2.118 . . . . 0.0 116.199 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.55 -54.55 21.65 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.759 -1.838 . . . . 0.0 113.547 163.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -68.11 -22.95 64.86 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.307 13.2 pttt -69.64 -48.78 58.72 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.64 -1.287 . . . . 0.0 114.297 166.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.272 30.4 pt -53.79 -49.41 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.84 2.109 . . . . 0.0 114.074 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -71.89 -35.54 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -87.8 -43.71 11.66 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.324 7.7 pt-20 -95.5 15.63 19.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.942 1.701 . . . . 0.0 115.309 -168.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -46.0 148.74 0.77 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.038 -1.664 . . . . 0.0 114.311 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 49.8 p -83.9 171.61 12.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 107.848 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.04 -36.4 69.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.756 -1.84 . . . . 0.0 110.796 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.74 -33.89 76.93 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.744 -1.848 . . . . 0.0 114.19 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.35 -34.91 76.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.123 -1.611 . . . . 0.0 114.263 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -76.14 -36.06 58.96 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.684 -1.885 . . . . 0.0 110.9 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -60.23 -38.13 82.46 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.636 -1.29 . . . . 0.0 111.945 169.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.659 1.183 . . . . 0.0 111.797 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.25 -44.73 87.21 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.985 -1.697 . . . . 0.0 112.745 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.71 -52.06 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.596 1.558 . . . . 0.0 114.905 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' B' ' 67' ' ' LYS . 25.7 m-20 -64.2 -36.01 82.68 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.998 1.319 . . . . 0.0 113.656 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.99 -16.52 24.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.587 -1.945 . . . . 0.0 114.191 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -138.29 77.1 1.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.157 -1.589 . . . . 0.0 108.269 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.37 -71.74 0.17 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.295 -2.128 . . . . 0.0 114.907 -165.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.57 -35.65 80.73 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.02 -1.05 . . . . 0.0 112.621 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 -57.11 20.77 Favored Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 126.056 1.789 . . . . 0.0 113.313 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.263 2.2 t80 -74.88 -39.16 61.67 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.791 -1.099 . . . . 0.0 111.958 -177.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -41.16 -64.16 0.59 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.31 -54.96 26.3 Favored Glycine 0 N--CA 1.43 -1.757 0 CA-C-O 122.102 0.835 . . . . 0.0 114.152 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' B' ' 16' ' ' SER . 14.2 m -65.76 -28.76 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.945 -1.915 . . . . 0.0 114.021 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -82.99 -16.12 48.48 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.664 1.186 . . . . 0.0 112.227 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -61.38 -47.63 84.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.676 -1.89 . . . . 0.0 112.232 159.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.74 -51.46 59.08 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.892 1.277 . . . . 0.0 108.679 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.08 -31.94 71.6 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -77.34 -42.68 35.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.603 -1.31 . . . . 0.0 113.543 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 16.0 ptp -76.64 -30.78 57.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.909 -1.744 . . . . 0.0 115.165 -168.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -82.11 5.61 19.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.634 -1.916 . . . . 0.0 113.618 -174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.508 0 C-N-CA 124.92 1.288 . . . . 0.0 108.491 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 . . . . . 0 N--CA 1.429 -1.481 0 CA-C-O 120.314 0.102 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -39.62 -39.73 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 128.659 2.783 . . . . 0.0 117.161 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.34 -50.24 74.73 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.854 2.062 . . . . 0.0 111.792 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.32 21.4 m -68.9 -30.82 69.39 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.02 -51.31 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 118.46 -2.65 . . . . 0.0 112.215 168.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.371 0.1 OUTLIER -61.15 -43.52 98.75 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.694 2.398 . . . . 0.0 112.852 -173.058 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.99 -28.8 63.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.125 -2.234 . . . . 0.0 114.534 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.13 -38.21 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 118.714 -2.491 . . . . 0.0 111.405 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -46.8 -40.73 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 129.237 3.015 . . . . 0.0 115.182 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -72.73 -46.46 53.42 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.723 -0.611 . . . . 0.0 111.359 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -52.63 -48.03 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.955 2.502 . . . . 0.0 114.778 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.26 96.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 112.755 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 p -66.21 -16.26 63.85 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.7 -49.34 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 121.037 1.744 . . . . 0.0 109.705 170.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.85 -34.99 75.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.688 -1.257 . . . . 0.0 113.451 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.4 mt -80.04 -23.66 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 119.43 -2.044 . . . . 0.0 113.131 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.63 76.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.617 1.567 . . . . 0.0 109.689 169.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -100.45 3.03 42.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.531 -1.356 . . . . 0.0 114.606 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t 60.07 46.67 10.47 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -118.57 33.12 5.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.497 2.319 . . . . 0.0 111.972 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.374 0.0 OUTLIER -56.16 -16.27 4.98 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 120.468 3.507 . . . . 0.0 120.468 178.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -42.28 -39.07 1.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.12 -42.71 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 O-C-N 120.253 -1.529 . . . . 0.0 110.621 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.5 -41.75 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 126.82 2.048 . . . . 0.0 113.967 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.6 pt-20 -70.37 -17.19 63.04 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -112.56 118.75 35.97 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 109.33 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -35.34 -54.12 0.65 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.734 2.814 . . . . 0.0 115.67 169.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.29 17.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -51.16 -36.95 43.61 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.34 1.056 . . . . 0.0 113.823 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.15 -61.31 2.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.514 1.526 . . . . 0.0 115.106 165.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -50.91 -39.24 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 128.384 2.674 . . . . 0.0 115.386 174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.72 70.18 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.519 -1.988 . . . . 0.0 114.344 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -39.22 67.64 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.005 2.122 . . . . 0.0 110.021 173.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.95 -36.68 70.54 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -75.67 -28.22 58.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 118.943 -2.348 . . . . 0.0 114.81 168.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.5 -56.26 19.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 120.308 1.413 . . . . 0.0 110.889 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -79.93 -24.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.63 4.09 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.236 -1.54 . . . . 0.0 115.408 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.45 104.35 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 119.13 1.465 . . . . 0.0 108.701 164.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -93.07 130.4 38.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.799 -1.188 . . . . 0.0 109.216 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -64.82 -80.51 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.19 57.67 0.61 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.356 -1.465 . . . . 0.0 107.251 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.39 19.97 49.21 Favored Glycine 0 N--CA 1.429 -1.785 0 N-CA-C 119.882 2.713 . . . . 0.0 119.882 -172.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -128.62 171.92 11.7 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.22 151.51 39.94 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.733 -1.23 . . . . 0.0 111.256 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -95.19 120.92 36.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.314 1.53 . . . . 0.0 111.473 -167.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -96.16 164.3 12.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.769 -169.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -78.54 -41.87 30.95 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.972 -1.705 . . . . 0.0 112.074 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -60.99 -61.32 2.66 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 125.729 1.612 . . . . 0.0 112.583 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -69.5 -9.99 56.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.66 -45.18 76.0 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.444 -2.035 . . . . 0.0 110.091 164.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -19.4 63.66 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.746 -1.221 . . . . 0.0 112.424 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.359 30.8 pttt -65.13 -49.89 68.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.363 -2.086 . . . . 0.0 115.948 158.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.276 29.4 pt -59.1 -49.93 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-N 120.688 1.585 . . . . 0.0 114.543 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.1 m -76.22 -34.78 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.095 -1.628 . . . . 0.0 114.883 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -82.25 -52.26 7.12 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.39 8.47 38.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 119.465 -2.022 . . . . 0.0 115.375 -161.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.7 mt -43.53 147.21 0.43 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.0 p -76.3 174.04 10.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.319 -0.863 . . . . 0.0 109.472 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.4 -37.97 77.75 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.616 -1.927 . . . . 0.0 110.595 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -56.48 -48.0 78.05 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.608 1.963 . . . . 0.0 113.519 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -55.79 -37.56 68.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.49 -33.67 31.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.468 -1.395 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.27 93.96 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.513 -1.367 . . . . 0.0 112.146 171.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -61.11 -33.22 73.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 123.673 0.789 . . . . 0.0 113.074 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.7 -37.1 62.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.245 -1.534 . . . . 0.0 113.431 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.81 -41.56 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 124.815 1.246 . . . . 0.0 112.521 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -65.8 -43.68 87.95 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -87.34 -41.71 13.42 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 110.68 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -112.79 61.22 0.63 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.074 1.75 . . . . 0.0 112.649 -172.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -53.88 -72.31 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.827 -2.421 . . . . 0.0 117.309 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.65 -39.04 84.59 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.139 -1.6 . . . . 0.0 111.578 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.42 -50.82 35.48 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 124.524 1.059 . . . . 0.0 114.645 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.297 0.1 OUTLIER -69.53 -46.51 66.32 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.057 -178.051 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -51.96 -39.63 59.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.0 2.182 . . . . 0.0 116.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.65 -71.21 0.81 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 120.762 -1.211 . . . . 0.0 116.051 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -23.67 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.69 -2.065 . . . . 0.0 114.606 -176.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -76.1 -17.52 59.57 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.522 -1.986 . . . . 0.0 114.935 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.215 -2.178 . . . . 0.0 110.415 163.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -69.4 -53.48 19.18 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.801 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.04 -56.51 19.89 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.7 -1.25 . . . . 0.0 111.483 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.36 -33.34 53.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.269 11.2 ptp -84.66 -32.57 23.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 112.816 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-85 -83.21 -2.86 56.6 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.624 -1.922 . . . . 0.0 111.818 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.312 1.6 t . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 123.025 1.393 . . . . 0.0 107.764 166.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 . . . . . 0 N--CA 1.43 -1.453 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -39.95 -49.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.742 2.417 . . . . 0.0 114.858 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.12 -40.27 68.26 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.577 1.151 . . . . 0.0 113.015 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . 0.263 31.0 m -68.19 -42.08 80.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.027 -2.296 . . . . 0.0 113.704 171.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 t -49.78 -33.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.691 -2.506 . . . . 0.0 114.298 163.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -71.91 -47.14 54.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.009 1.323 . . . . 0.0 113.109 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.89 -33.99 71.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 121.062 -1.024 . . . . 0.0 113.066 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.85 -25.71 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.526 -2.609 . . . . 0.0 113.88 168.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.45 -47.81 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.433 -2.042 . . . . 0.0 112.63 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -65.91 -45.49 81.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.783 -1.198 . . . . 0.0 112.234 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -53.02 -46.76 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.602 1.961 . . . . 0.0 114.301 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.5 70.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.295 -2.128 . . . . 0.0 114.096 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.1 p -62.88 -29.48 70.79 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 171.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -55.49 -53.18 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.296 1.438 . . . . 0.0 110.936 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.07 -41.39 83.29 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.81 -34.54 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.414 1.485 . . . . 0.0 114.492 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.51 75.06 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.802 -1.811 . . . . 0.0 113.323 167.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -85.74 -3.76 58.98 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.487 -1.383 . . . . 0.0 113.742 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t 55.44 48.67 18.44 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.244 2.683 . . . . 0.0 118.244 -171.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -114.48 54.57 0.76 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.678 1.991 . . . . 0.0 111.215 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -73.72 -4.85 37.0 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.228 -2.17 . . . . 0.0 116.569 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.44 -32.81 28.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.945 2.098 . . . . 0.0 115.185 167.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.68 -39.95 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 125.075 1.35 . . . . 0.0 110.218 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -68.79 -45.98 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.388 0 C-N-CA 127.434 2.294 . . . . 0.0 112.263 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -58.85 -25.59 63.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -175.246 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -112.89 107.1 15.56 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -43.21 -31.61 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.75 -38.17 18.52 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.619 2.463 . . . . 0.0 111.921 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -63.14 -33.46 75.51 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.055 -1.653 . . . . 0.0 111.796 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.69 -54.61 32.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.101 2.16 . . . . 0.0 112.665 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.83 -41.98 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.608 2.363 . . . . 0.0 111.869 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.46 81.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 112.982 -3.487 . . . . 0.0 114.172 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.05 -41.62 62.47 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 128.022 2.529 . . . . 0.0 113.936 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.29 -45.95 69.13 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.714 -2.491 . . . . 0.0 114.325 169.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -73.4 -12.5 60.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.897 1.679 . . . . 0.0 115.059 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.62 -58.1 3.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.638 1.175 . . . . 0.0 112.022 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -88.07 -12.12 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.855 -1.153 . . . . 0.0 110.631 -166.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.93 36.23 4.81 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.688 -1.257 . . . . 0.0 116.171 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.254 1.9 t -74.86 90.67 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.817 1.294 . . . . 0.0 110.319 166.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.4 p -109.62 116.69 32.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.988 1.715 . . . . 0.0 108.645 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -64.97 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -165.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.17 57.38 0.66 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.485 -1.384 . . . . 0.0 107.268 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.16 -8.04 68.96 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 124.265 0.936 . . . . 0.0 114.805 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -114.73 156.1 25.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.954 -1.321 . . . . 0.0 110.719 -166.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -59.31 128.63 38.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.996 1.318 . . . . 0.0 111.563 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.04 130.13 34.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.759 1.266 . . . . 0.0 110.146 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -95.59 155.36 16.77 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.416 1.087 . . . . 0.0 109.676 -165.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -63.4 -40.6 97.64 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.967 -1.708 . . . . 0.0 112.917 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -67.9 -46.53 71.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.669 -1.269 . . . . 0.0 113.172 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -75.68 -14.49 60.35 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.403 -1.436 . . . . 0.0 113.327 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -71.58 -49.02 44.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.365 1.555 . . . . 0.0 109.166 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -25.26 60.48 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.759 -172.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 3.7 pttp -65.25 -61.87 1.88 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 116.556 -1.688 . . . . 0.0 113.804 160.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 34.7 pt -45.03 -45.07 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.41 -41.26 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -42.62 19.96 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.98 12.77 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.19 146.09 53.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.655 -1.903 . . . . 0.0 111.492 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 60.5 p -86.5 171.0 11.42 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.871 -1.143 . . . . 0.0 110.835 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.23 -50.53 72.58 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.128 0.971 . . . . 0.0 111.67 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.16 -38.17 79.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -63.29 -41.21 98.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.26 1.029 . . . . 0.0 113.148 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -77.89 -42.61 32.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.722 1.209 . . . . 0.0 109.835 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.84 -31.81 70.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.167 0.987 . . . . 0.0 112.787 170.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.9 m -61.96 -41.17 97.7 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 112.513 172.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.2 mt -73.41 -37.0 66.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.475 -1.391 . . . . 0.0 112.814 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.0 mt -49.3 -45.13 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.962 1.705 . . . . 0.0 113.688 167.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.93 -37.49 81.72 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.75 -40.45 9.36 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.117 -1.615 . . . . 0.0 113.535 -168.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.35 60.24 0.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 121.034 -1.041 . . . . 0.0 110.453 -167.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -41.96 -71.89 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -42.59 93.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 122.413 1.101 . . . . 0.0 113.723 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.46 -54.77 4.53 Favored Glycine 0 N--CA 1.431 -1.675 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.288 -161.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.278 0.2 OUTLIER -73.06 -36.84 66.96 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.191 -173.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -43.62 -57.38 3.19 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.546 1.976 . . . . 0.0 115.482 166.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -62.25 5.77 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 120.438 -1.414 . . . . 0.0 115.582 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.5 -20.93 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 118.1 -3.0 . . . . 0.0 112.941 -165.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -83.01 -16.42 47.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.568 -1.957 . . . . 0.0 112.795 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -62.93 -44.29 96.49 Favored 'General case' 0 N--CA 1.431 -1.388 0 O-C-N 118.864 -2.398 . . . . 0.0 112.174 158.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -69.78 -51.32 34.9 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.483 1.513 . . . . 0.0 108.594 -168.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.6 -28.18 69.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.843 -1.786 . . . . 0.0 112.9 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.05 -37.19 34.49 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.352 -2.093 . . . . 0.0 110.455 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 10.8 ptp -80.39 -11.92 59.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.422 -1.424 . . . . 0.0 113.32 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.0 m-85 -97.98 1.36 47.81 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.715 -1.241 . . . . 0.0 110.399 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.39 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.496 0 O-C-N 120.619 -1.301 . . . . 0.0 111.614 173.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.43 -1.465 0 CA-C-O 121.956 0.884 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tt -38.03 -51.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.199 2.6 . . . . 0.0 117.469 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.2 -27.76 62.26 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.89 2.476 . . . . 0.0 113.742 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.5 m -94.63 -27.37 15.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.986 -1.696 . . . . 0.0 109.237 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -64.2 -43.12 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 118.583 -2.573 . . . . 0.0 111.012 171.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -53.8 -53.06 57.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.835 3.654 . . . . 0.0 114.856 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' CD ' HH12 ' B' ' 9' ' ' ARG . 7.1 pt-20 -68.21 -35.22 77.63 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.7 -29.93 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 124.69 1.196 . . . . 0.0 109.952 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.27 -58.48 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 127.57 2.348 . . . . 0.0 111.853 167.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 1.1 p -52.93 -49.17 66.52 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -51.48 -48.68 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 168.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.947 1.356 . . . . 0.0 109.333 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.252 10.2 p -67.72 -22.26 65.25 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mm -61.31 -45.11 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 122.477 2.399 . . . . 0.0 111.142 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -32.02 73.29 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.972 -1.705 . . . . 0.0 113.075 176.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.262 86.0 mt -80.36 -36.3 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.056 -1.652 . . . . 0.0 110.967 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.69 -51.81 46.04 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.546 3.138 . . . . 0.0 113.738 168.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.56 -33.58 69.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.43 1.3 t 93.85 32.29 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.808 2.043 . . . . 0.0 114.805 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.89 42.14 1.41 Allowed 'General case' 0 N--CA 1.431 -1.403 1 C-N-CA 131.877 4.071 . . . . 0.0 112.507 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.331 0.0 OUTLIER -60.28 -23.98 64.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 173.345 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -46.61 -25.0 0.62 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.65 -41.26 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 CA-C-N 121.651 2.023 . . . . 0.0 113.434 167.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -68.54 -22.64 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.865 2.466 . . . . 0.0 112.686 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.58 -10.61 59.59 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -129.55 125.27 35.87 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.2 -1.563 . . . . 0.0 111.283 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -48.33 -57.57 5.82 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 128.222 2.609 . . . . 0.0 113.694 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.46 -15.26 62.32 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.91 -36.57 23.24 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.997 -1.689 . . . . 0.0 107.034 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.43 -48.73 76.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.015 1.726 . . . . 0.0 112.585 173.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -57.07 -42.83 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.493 -2.629 . . . . 0.0 114.836 172.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.31 70.62 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.345 -1.472 . . . . 0.0 114.712 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.255 5.7 t80 -72.71 -40.51 66.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.431 1.493 . . . . 0.0 111.241 173.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.26 -48.08 82.97 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.533 -1.98 . . . . 0.0 114.431 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -57.84 -48.92 78.37 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.559 -1.963 . . . . 0.0 114.246 170.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.93 -55.29 24.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -79.06 -16.81 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 119.688 -1.883 . . . . 0.0 113.843 -178.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.85 45.96 4.37 Favored Glycine 0 N--CA 1.43 -1.713 0 N-CA-C 116.026 1.17 . . . . 0.0 116.026 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -90.45 107.14 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 165.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -106.4 127.57 53.38 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.7 -79.91 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -171.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.52 46.67 1.02 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.313 -1.492 . . . . 0.0 108.359 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.13 19.82 17.92 Favored Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 117.954 1.942 . . . . 0.0 117.954 -163.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -127.76 168.65 14.82 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.58 153.47 31.91 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.386 -1.446 . . . . 0.0 113.742 -172.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.3 115.69 28.54 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-O 123.593 1.663 . . . . 0.0 109.166 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -100.3 177.07 5.16 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.837 1.255 . . . . 0.0 111.881 -168.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -77.15 -38.74 51.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.798 -1.814 . . . . 0.0 112.611 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -71.28 -47.52 56.41 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.056 0.942 . . . . 0.0 113.105 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.78 -23.41 63.34 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.799 -1.813 . . . . 0.0 115.149 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.42 -52.24 66.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 125.366 2.508 . . . . 0.0 112.73 165.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -64.66 -28.55 69.68 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.893 -1.755 . . . . 0.0 114.22 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.289 12.8 ptpt -62.19 -47.48 84.27 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.141 -2.224 . . . . 0.0 115.284 162.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.304 30.7 pt -60.2 -48.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.536 -1.977 . . . . 0.0 113.46 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.92 -41.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.9 m -86.66 -39.75 15.77 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.265 3.6 pt-20 -83.97 9.5 12.17 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 121.861 2.119 . . . . 0.0 114.435 -171.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.77 145.2 12.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.408 -1.432 . . . . 0.0 112.109 175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -82.87 164.86 20.24 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.09 -39.2 81.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.337 -2.727 . . . . 0.0 114.936 172.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.69 -25.57 65.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.47 -30.42 67.23 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.086 -1.634 . . . . 0.0 111.84 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -81.65 -48.16 12.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.351 -1.468 . . . . 0.0 108.39 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -48.33 -39.7 22.81 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 121.433 1.924 . . . . 0.0 115.994 164.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 m -60.85 -38.5 85.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.33 -40.26 89.78 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.582 -1.324 . . . . 0.0 112.321 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.25 -31.94 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 126.643 1.977 . . . . 0.0 114.259 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.91 -43.7 95.18 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.394 -2.066 . . . . 0.0 113.111 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.06 -29.25 17.44 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.28 76.85 1.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 104.256 -2.498 . . . . 0.0 104.256 -167.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -69.94 -67.99 0.45 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.414 -1.429 . . . . 0.0 110.342 -166.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.5 -46.9 87.48 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.977 1.711 . . . . 0.0 114.228 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.72 -60.76 7.51 Favored Glycine 0 N--CA 1.43 -1.7 0 C-N-CA 125.844 1.688 . . . . 0.0 115.292 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.254 0.7 OUTLIER -77.3 -27.84 53.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.726 -1.455 . . . . 0.0 109.982 -168.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.24 -60.12 3.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 122.748 2.522 . . . . 0.0 112.323 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -65.91 2.98 Favored Glycine 0 N--CA 1.43 -1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 114.314 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.251 33.5 m -70.34 -18.84 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.982 -2.481 . . . . 0.0 115.89 -168.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -86.57 -10.66 53.5 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.849 -1.782 . . . . 0.0 113.395 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -66.34 -42.35 88.25 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.808 -2.433 . . . . 0.0 111.13 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -72.87 -48.21 39.42 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.811 2.045 . . . . 0.0 110.998 -173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.058 -2.901 . . . . 0.0 114.03 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -71.86 -63.3 1.16 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.651 -1.281 . . . . 0.0 110.091 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.337 6.3 ptp -37.49 -40.66 0.39 Allowed 'General case' 0 N--CA 1.43 -1.465 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 173.118 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.84 7.49 23.75 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.226 0.921 . . . . 0.0 112.516 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.278 1.3 t . . . . . 0 N--CA 1.431 -1.395 0 CA-C-O 123.841 1.781 . . . . 0.0 109.482 171.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -69.69 -45.24 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.483 1.913 . . . . 0.0 111.717 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.28 -33.4 69.39 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.246 1.818 . . . . 0.0 111.573 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.4 m -76.84 -49.04 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 112.599 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -48.78 -37.8 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.704 -1.873 . . . . 0.0 113.862 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.41 HH12 ' CD ' ' A' ' 10' ' ' GLU . 52.5 ttt-85 -64.38 -59.54 4.24 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 130.54 3.536 . . . . 0.0 110.58 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.63 -31.13 72.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -71.72 -28.38 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 118.257 -2.777 . . . . 0.0 113.886 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -54.29 -55.28 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.553 2.341 . . . . 0.0 113.231 173.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -64.28 -29.24 70.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.74 -36.77 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.943 -1.723 . . . . 0.0 111.867 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.75 60.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.419 -2.676 . . . . 0.0 113.356 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 80.3 p -58.58 -30.97 67.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.353 -2.092 . . . . 0.0 115.924 168.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mm -54.71 -48.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.436 1.494 . . . . 0.0 112.485 166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.74 -46.34 81.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.613 -1.304 . . . . 0.0 112.955 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.14 -35.36 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 119.59 -1.944 . . . . 0.0 115.239 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -39.53 31.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.648 1.567 . . . . 0.0 114.961 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -89.61 2.42 54.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.784 1.234 . . . . 0.0 113.386 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.5 t 58.68 38.36 25.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.498 2.319 . . . . 0.0 114.787 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -102.33 47.72 0.89 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.74 1.616 . . . . 0.0 110.331 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.392 0.0 OUTLIER -67.73 -16.33 64.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 176.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.42 -31.38 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 123.954 1.835 . . . . 0.0 110.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -77.03 -40.99 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.362 1.865 . . . . 0.0 112.457 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.67 -19.29 57.97 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -109.78 117.22 33.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -33.6 -54.28 0.44 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.677 3.191 . . . . 0.0 112.488 164.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.37 63.88 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -79.31 -24.2 43.0 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.321 -2.112 . . . . 0.0 111.13 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -69.09 -52.34 29.43 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.636 1.974 . . . . 0.0 111.844 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mt -57.24 -39.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.49 2.716 . . . . 0.0 112.812 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.23 -50.52 69.93 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.336 1.065 . . . . 0.0 109.545 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 25.9 t80 -52.63 -39.55 61.86 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 166.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.42 -39.09 92.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.256 -1.527 . . . . 0.0 112.79 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -76.52 -16.8 59.54 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 119.531 -1.98 . . . . 0.0 112.738 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.94 -61.97 1.62 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.739 1.616 . . . . 0.0 113.363 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.13 -12.64 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-O 123.083 1.42 . . . . 0.0 111.395 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.16 46.71 6.87 Favored Glycine 0 N--CA 1.429 -1.791 0 CA-C-O 116.789 -2.117 . . . . 0.0 116.094 172.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.36 130.68 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 123.457 3.629 . . . . 0.0 105.965 164.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -128.78 157.42 41.5 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.875 1.321 . . . . 0.0 110.664 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.82 -72.84 0.4 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.781 -1.2 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -104.89 33.62 3.54 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.64 -1.913 . . . . 0.0 111.94 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.1 5.11 64.87 Favored Glycine 0 N--CA 1.43 -1.746 0 O-C-N 119.934 -1.728 . . . . 0.0 115.212 -170.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -105.89 163.2 12.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 117.998 0.899 . . . . 0.0 108.945 -171.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.55 117.09 8.26 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.74 124.61 27.56 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.903 1.335 . . . . 0.0 110.567 -163.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -87.92 162.42 16.91 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.94 -1.1 . . . . 0.0 112.693 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.05 -40.96 78.23 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.87 -1.769 . . . . 0.0 112.66 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -67.97 -43.81 78.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.117 1.767 . . . . 0.0 112.178 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.6 m -72.73 -27.34 61.98 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.0 -1.688 . . . . 0.0 113.791 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.17 -49.5 69.55 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.041 1.401 . . . . 0.0 110.35 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -68.84 -29.55 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.767 -1.208 . . . . 0.0 113.27 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.327 10.3 ptpt -60.93 -56.54 19.88 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 164.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.324 26.0 pt -50.0 -46.08 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.68 -43.88 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -77.18 -50.98 11.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.281 4.8 pt-20 -81.59 13.44 3.1 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -169.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.99 148.29 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 112.703 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -89.01 172.05 9.41 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.186 -1.571 . . . . 0.0 109.67 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.26 -45.93 76.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.572 -1.33 . . . . 0.0 113.111 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -61.7 -38.02 86.31 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.479 1.912 . . . . 0.0 114.123 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -63.41 -42.22 98.74 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.412 1.101 . . . . 0.0 112.994 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -73.87 -37.96 64.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.456 -1.402 . . . . 0.0 112.101 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.62 -37.39 75.78 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.531 0.733 . . . . 0.0 112.072 166.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -65.19 -37.74 88.28 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.164 -0.96 . . . . 0.0 112.665 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.62 -55.95 19.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.313 -1.492 . . . . 0.0 113.068 168.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.99 -46.13 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.478 1.911 . . . . 0.0 115.206 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.95 -36.33 81.1 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.362 -1.461 . . . . 0.0 114.894 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -103.93 -37.03 7.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.797 -1.814 . . . . 0.0 112.671 -168.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -113.07 70.11 0.71 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.536 1.534 . . . . 0.0 108.386 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -54.25 -66.93 0.31 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.494 1.517 . . . . 0.0 111.902 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.91 -47.48 65.68 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.45 1.5 . . . . 0.0 113.637 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.79 28.09 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 120.618 3.007 . . . . 0.0 120.618 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.251 0.1 OUTLIER -74.05 -33.05 63.57 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.92 1.86 . . . . 0.0 109.391 -172.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -55.03 -49.54 71.31 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.899 -1.751 . . . . 0.0 113.755 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.96 -70.09 1.09 Allowed Glycine 0 N--CA 1.43 -1.735 0 N-CA-C 114.982 0.753 . . . . 0.0 114.982 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.99 -21.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.5 -2.176 . . . . 0.0 115.534 -171.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -79.44 -19.17 50.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 120.298 1.408 . . . . 0.0 112.599 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.06 -44.27 96.27 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.873 -2.392 . . . . 0.0 111.18 162.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -65.03 -61.44 2.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 128.078 2.551 . . . . 0.0 109.374 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.77 -26.23 57.13 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.51 -1.994 . . . . 0.0 115.42 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -82.72 -36.52 25.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.424 -1.423 . . . . 0.0 109.926 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 9.9 ptp -80.63 -26.07 37.96 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -86.72 -8.37 57.47 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.878 -1.139 . . . . 0.0 112.283 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.316 14.6 t . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 122.768 1.27 . . . . 0.0 111.779 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.431 -1.393 0 CA-C-O 121.734 0.778 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 tt -41.36 -45.22 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -58.99 -53.36 59.28 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.37 1.868 . . . . 0.0 112.065 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -66.14 -32.7 74.3 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.382 -1.449 . . . . 0.0 114.363 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.39 -43.95 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.11 -2.869 . . . . 0.0 113.268 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.272 55.3 ttt180 -51.99 -58.02 7.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.992 2.917 . . . . 0.0 114.413 174.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.655 -1.278 . . . . 0.0 113.837 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.7 -39.69 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.111 -1.618 . . . . 0.0 111.226 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.8 mt -53.47 -40.08 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 127.262 2.225 . . . . 0.0 116.079 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 p -71.82 -41.02 68.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.957 -1.09 . . . . 0.0 111.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.31 -43.52 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.235 1.814 . . . . 0.0 114.999 168.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.99 95.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.07 -1.644 . . . . 0.0 112.043 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 p -70.83 -10.92 60.54 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 172.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.79 -51.27 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 120.179 1.354 . . . . 0.0 110.104 164.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.45 -33.35 75.36 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.601 -1.312 . . . . 0.0 112.344 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mt -77.44 -26.04 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.191 -1.568 . . . . 0.0 112.518 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.3 -44.98 96.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.747 -1.846 . . . . 0.0 113.369 164.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -87.53 -2.06 58.36 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.902 -1.749 . . . . 0.0 113.944 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t 64.8 41.82 4.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.461 1.904 . . . . 0.0 114.733 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -111.76 36.93 3.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.285 2.234 . . . . 0.0 110.735 174.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.388 0.0 OUTLIER -55.53 -24.26 31.0 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 176.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -33.78 -51.16 0.38 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 128.808 2.843 . . . . 0.0 117.274 163.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mt -66.82 -36.83 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.18 1.392 . . . . 0.0 112.203 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.45 -36.7 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.855 1.662 . . . . 0.0 113.264 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.263 1.6 pt-20 -67.2 -19.58 65.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 120.5 3.519 . . . . 0.0 120.5 -163.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -114.55 127.92 56.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.752 -1.843 . . . . 0.0 110.779 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -33.95 -61.95 0.33 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.738 3.215 . . . . 0.0 113.786 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.48 34.49 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -48.91 -38.26 22.19 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.96 -51.26 65.18 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.389 1.475 . . . . 0.0 114.941 170.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -51.07 -41.29 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 128.025 2.53 . . . . 0.0 114.822 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.25 93.89 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.736 -1.227 . . . . 0.0 113.112 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.0 -41.57 99.62 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.068 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.47 -44.45 76.48 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.163 -1.585 . . . . 0.0 114.564 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.39 -18.73 61.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.687 -1.883 . . . . 0.0 116.077 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -72.44 -50.52 25.66 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.312 -1.492 . . . . 0.0 109.911 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -7.56 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.771 -1.205 . . . . 0.0 113.282 -176.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.05 43.19 7.23 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 116.772 1.469 . . . . 0.0 116.772 173.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.02 123.87 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 119.302 1.551 . . . . 0.0 108.493 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -107.32 156.83 18.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.132 1.373 . . . . 0.0 109.713 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.403 ' CD2' ' CD ' ' A' ' 45' ' ' GLU 0.339 4.1 t60 -73.87 -108.83 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 121.403 -0.81 . . . . 0.0 113.179 155.196 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CD ' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mp0 -93.02 54.11 2.1 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 118.42 -2.675 . . . . 0.0 110.968 -178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.06 22.74 73.33 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -129.17 156.71 43.49 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 169.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -81.21 153.45 27.18 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.093 -1.004 . . . . 0.0 109.922 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.48 128.38 44.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 123.045 1.402 . . . . 0.0 112.507 -144.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.26 157.67 17.02 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.159 -1.588 . . . . 0.0 112.21 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.02 -41.94 90.3 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.845 -1.784 . . . . 0.0 114.298 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -70.6 -45.57 65.04 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.154 1.382 . . . . 0.0 111.802 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -73.64 -18.65 61.01 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.42 -46.12 91.18 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 124.605 2.145 . . . . 0.0 111.042 163.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.46 -32.23 73.46 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.314 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.271 12.0 ptpt -65.47 -42.82 91.84 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.067 -1.645 . . . . 0.0 114.638 168.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 25.5 pt -62.15 -47.9 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.662 -1.274 . . . . 0.0 112.52 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.0 -38.04 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -78.88 -55.43 5.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.02 13.27 13.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.57 152.85 0.19 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.654 1.982 . . . . 0.0 115.225 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -82.98 174.28 11.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.72 -1.863 . . . . 0.0 109.354 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -70.79 -38.7 73.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.661 -1.899 . . . . 0.0 110.559 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.159 -2.213 . . . . 0.0 114.968 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -67.56 -30.07 69.61 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.601 1.191 . . . . 0.0 114.191 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.64 -38.54 47.6 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.35 -28.14 62.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.155 -1.591 . . . . 0.0 112.586 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.4 m -61.55 -40.97 96.6 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.844 -1.16 . . . . 0.0 113.287 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.07 -34.51 71.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.686 -1.259 . . . . 0.0 113.385 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.62 -36.8 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 112.423 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.49 -34.86 78.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.818 -2.426 . . . . 0.0 114.828 172.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -88.85 -25.42 22.18 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.424 -1.423 . . . . 0.0 114.125 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -146.93 70.08 1.19 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 119.626 -1.921 . . . . 0.0 106.757 -171.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -51.99 -71.68 0.06 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -167.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -33.2 62.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.047 1.339 . . . . 0.0 112.067 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -46.84 76.51 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 124.651 1.119 . . . . 0.0 114.455 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.387 0.2 OUTLIER -71.0 -45.11 64.55 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 119.523 1.662 . . . . 0.0 111.161 178.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -43.42 -52.47 5.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.701 2.046 . . . . 0.0 115.982 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.32 -60.33 6.43 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.974 -1.079 . . . . 0.0 114.839 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.2 m -69.12 -20.37 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 119.568 -2.137 . . . . 0.0 113.737 -171.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -80.78 -24.74 38.4 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.206 -1.559 . . . . 0.0 112.961 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.25 8.1 mmt-85 -62.84 -38.51 91.07 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.632 -1.918 . . . . 0.0 111.968 167.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.77 -59.88 4.5 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.729 1.612 . . . . 0.0 107.314 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.98 -29.94 65.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.77 -39.52 73.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.576 1.08 . . . . 0.0 112.506 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 ptp -85.81 -17.43 35.75 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.693 -1.254 . . . . 0.0 112.378 -165.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.6 m-30 -88.38 -5.37 58.33 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.232 2.213 . . . . 0.0 112.666 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.455 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 N--CA 1.43 -1.471 0 CA-C-O 122.239 1.018 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -54.74 -47.11 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 128.928 2.891 . . . . 0.0 113.904 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -62.06 -34.67 76.7 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.862 1.665 . . . . 0.0 112.637 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -74.08 -44.95 52.21 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 120.732 -1.23 . . . . 0.0 112.07 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t -53.1 -41.7 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.933 -2.354 . . . . 0.0 112.913 170.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -59.72 -53.57 56.41 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.036 2.134 . . . . 0.0 114.594 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.54 -37.17 86.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.88 -32.36 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.94 -1.725 . . . . 0.0 113.337 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.69 -54.12 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.006 2.122 . . . . 0.0 111.561 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -65.2 -31.88 73.27 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.477 1.511 . . . . 0.0 114.941 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.86 -40.51 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 CA-C-O 122.379 1.085 . . . . 0.0 113.068 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.65 53.2 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 119.209 -2.182 . . . . 0.0 112.551 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 92.5 p -64.66 -27.68 69.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 119.7 -1.875 . . . . 0.0 114.355 170.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.68 -46.94 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.254 1.022 . . . . 0.0 113.275 167.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.15 -40.52 81.58 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.192 -0.942 . . . . 0.0 111.991 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.4 -35.81 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.188 -1.57 . . . . 0.0 114.794 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -40.96 59.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.028 1.74 . . . . 0.0 113.549 168.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -90.67 7.95 36.84 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.4 t 52.88 41.97 31.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.504 2.322 . . . . 0.0 114.81 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -108.0 49.59 0.8 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.828 1.651 . . . . 0.0 109.748 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -70.94 -15.28 62.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.654 -1.904 . . . . 0.0 114.84 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.22 -33.75 54.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 167.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.72 -29.0 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.786 -1.196 . . . . 0.0 110.983 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.12 -41.81 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.548 1.539 . . . . 0.0 111.843 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.2 -2.44 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 130.695 3.598 . . . . 0.0 119.778 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.52 133.49 36.55 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.415 -2.053 . . . . 0.0 109.579 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -42.01 -63.48 0.73 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.316 2.646 . . . . 0.0 113.635 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.95 63.25 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -58.77 -25.6 63.22 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.86 -54.47 22.02 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.14 -38.89 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.313 3.445 . . . . 0.0 113.947 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.41 72.76 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.773 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.292 2.9 t80 -60.2 -36.68 78.2 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 171.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.41 -43.88 84.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.54 -1.975 . . . . 0.0 112.266 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -80.27 -9.29 59.73 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.292 -1.505 . . . . 0.0 114.602 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.56 -63.24 1.11 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.866 0.841 . . . . 0.0 109.925 164.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 pt -83.18 -22.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.757 -1.214 . . . . 0.0 114.19 -166.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.04 31.87 6.73 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 120.575 -1.328 . . . . 0.0 116.09 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.275 2.3 t -69.44 121.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 117.908 0.854 . . . . 0.0 111.568 167.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.9 p -109.11 154.2 22.63 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.853 -172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -73.26 -83.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.817 -1.177 . . . . 0.0 112.909 161.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.46 52.08 0.72 Allowed 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.747 -1.221 . . . . 0.0 111.735 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 16.25 76.05 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.758 -1.214 . . . . 0.0 115.142 -175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -134.57 155.23 50.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.931 1.692 . . . . 0.0 107.29 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -73.45 148.76 42.93 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.956 -1.715 . . . . 0.0 114.218 -169.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.86 124.64 40.89 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 122.602 1.192 . . . . 0.0 113.949 -162.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.64 157.07 16.68 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.054 1.742 . . . . 0.0 111.937 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -67.73 -44.8 76.72 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.753 -1.842 . . . . 0.0 115.736 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -72.87 -32.16 65.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.977 -1.702 . . . . 0.0 112.777 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 26.0 m -81.68 -20.56 39.28 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.728 1.611 . . . . 0.0 113.959 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -64.45 -46.16 84.31 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 123.635 1.683 . . . . 0.0 109.617 165.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.17 -34.37 77.39 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.56 -1.337 . . . . 0.0 112.337 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.344 12.9 ptpt -58.95 -52.35 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.313 43.0 pt -54.11 -38.2 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -89.31 -41.66 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -70.53 -56.78 5.74 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.655 -1.903 . . . . 0.0 113.406 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.34 15.2 pt-20 -86.63 12.21 11.12 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.091 1.885 . . . . 0.0 116.091 -168.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.4 mt -49.3 138.15 13.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.797 -1.19 . . . . 0.0 112.491 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 46.9 p -77.92 168.27 20.17 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.965 -1.709 . . . . 0.0 110.772 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.32 -42.19 95.1 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.162 -1.586 . . . . 0.0 111.774 173.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.33 -26.65 64.81 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.79 -39.27 76.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.456 -2.028 . . . . 0.0 111.803 169.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.7 -42.28 51.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.745 -1.847 . . . . 0.0 110.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -56.25 -35.08 67.0 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.234 1.014 . . . . 0.0 113.478 166.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.6 m -59.41 -45.12 92.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 118.915 0.779 . . . . 0.0 112.879 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.2 mt -66.74 -45.93 77.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.31 1.044 . . . . 0.0 112.527 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -50.18 -44.18 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.575 2.35 . . . . 0.0 113.781 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -61.0 -40.88 95.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.297 -1.502 . . . . 0.0 114.677 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -99.81 -29.46 12.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -166.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.26 75.3 0.92 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.219 -1.551 . . . . 0.0 109.722 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -60.51 -73.42 0.09 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -169.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.52 -35.42 73.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.673 -1.267 . . . . 0.0 112.351 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.58 -58.33 4.22 Favored Glycine 0 N--CA 1.43 -1.724 0 C-N-CA 124.692 1.139 . . . . 0.0 110.44 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.343 1.0 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.051 1.926 . . . . 0.0 111.419 -172.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.94 -54.13 13.74 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 122.767 2.53 . . . . 0.0 114.845 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.75 -58.85 9.75 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.899 -1.125 . . . . 0.0 115.424 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.26 -20.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.512 -2.758 . . . . 0.0 113.739 -169.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -72.93 -22.68 60.69 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.14 -2.225 . . . . 0.0 113.163 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -61.7 -48.16 82.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 115.95 -2.3 . . . . 0.0 112.526 162.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -65.52 -52.3 53.66 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.675 1.59 . . . . 0.0 110.817 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.99 -35.26 74.63 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.509 -1.995 . . . . 0.0 113.911 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.89 -37.91 58.35 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 118.955 -2.341 . . . . 0.0 111.632 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.3 ptp -80.38 -19.05 47.21 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 122.786 1.279 . . . . 0.0 114.406 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -85.21 -13.92 48.45 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.167 -1.583 . . . . 0.0 110.78 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 171.111 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 N--CA 1.43 -1.453 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -41.45 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.228 2.611 . . . . 0.0 113.328 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -66.07 -36.27 82.74 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.893 1.277 . . . . 0.0 113.701 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.9 m -74.71 -45.79 41.87 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.975 -1.703 . . . . 0.0 111.019 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -48.49 -36.5 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.139 1.776 . . . . 0.0 114.848 168.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -60.18 -60.1 4.36 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.027 2.131 . . . . 0.0 112.348 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.96 -30.63 71.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.8 -29.92 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.942 -2.349 . . . . 0.0 113.12 173.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -56.61 -56.76 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.12 -2.238 . . . . 0.0 113.542 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -54.58 -46.47 73.75 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.99 1.716 . . . . 0.0 113.513 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.62 -38.16 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 125.791 1.636 . . . . 0.0 113.093 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.16 60.08 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 117.771 -3.081 . . . . 0.0 113.038 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 p -59.76 -30.9 69.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.8 -48.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.836 1.654 . . . . 0.0 113.622 165.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.59 -46.47 80.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.96 -37.51 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.032 -2.292 . . . . 0.0 114.833 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -45.9 39.32 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.137 1.775 . . . . 0.0 113.711 166.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -84.74 8.8 15.85 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t 61.5 31.44 18.97 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 126.932 2.093 . . . . 0.0 114.482 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -110.91 51.51 0.77 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.624 1.57 . . . . 0.0 110.092 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -1.9 38.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.902 -1.749 . . . . 0.0 113.295 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -55.51 -40.18 71.45 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.062 2.545 . . . . 0.0 114.298 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.72 -37.45 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.007 1.723 . . . . 0.0 110.516 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.43 -35.89 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 126.111 1.764 . . . . 0.0 111.752 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.47 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.4 tt0 -57.55 1.94 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.23 147.78 29.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.637 -2.539 . . . . 0.0 108.977 168.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -55.49 15.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.886 1.675 . . . . 0.0 114.103 171.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.21 -52.92 56.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -166.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -50.64 -32.97 20.56 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.741 2.016 . . . . 0.0 115.314 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.85 -44.26 32.97 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 124.975 1.31 . . . . 0.0 111.986 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.96 -39.38 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 128.23 2.612 . . . . 0.0 113.025 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.28 64.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.562 1.173 . . . . 0.0 110.059 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.276 24.7 t80 -46.79 -44.3 19.06 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.589 2.441 . . . . 0.0 117.589 161.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -39.18 72.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.399 -2.063 . . . . 0.0 113.731 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -82.81 -20.47 35.68 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.822 -1.799 . . . . 0.0 112.46 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.08 -42.22 73.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.309 1.444 . . . . 0.0 114.213 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.08 -20.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 46.65 4.97 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 117.208 1.643 . . . . 0.0 117.208 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.93 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 123.339 3.57 . . . . 0.0 107.356 164.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -116.06 160.26 20.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.118 0.961 . . . . 0.0 109.482 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.305 8.7 t60 -76.67 -98.48 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.644 -1.285 . . . . 0.0 112.652 168.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -95.1 54.08 1.63 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.288 -2.132 . . . . 0.0 109.897 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.09 7.46 84.37 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 114.646 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.57 147.1 42.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.402 1.081 . . . . 0.0 111.104 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.54 126.78 29.95 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.63 1.572 . . . . 0.0 111.855 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.97 126.14 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.335 -1.478 . . . . 0.0 113.627 -157.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -85.35 147.38 26.55 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.889 1.676 . . . . 0.0 111.683 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -53.33 -48.84 68.11 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.048 2.139 . . . . 0.0 116.439 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -77.09 -35.37 56.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.122 -1.611 . . . . 0.0 112.219 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -80.13 -13.57 59.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -67.52 -50.13 60.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.656 1.983 . . . . 0.0 109.792 164.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -30.85 71.34 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.847 1.259 . . . . 0.0 111.419 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.434 13.1 ptpt -59.26 -63.97 1.11 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 160.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.313 30.8 pt -45.63 -42.16 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.63 -42.85 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 120.97 -1.081 . . . . 0.0 113.643 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -74.83 -47.12 32.18 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.866 1.667 . . . . 0.0 115.115 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.4 10.27 9.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -165.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.34 143.73 22.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.169 -1.582 . . . . 0.0 112.224 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 p -82.38 171.0 14.67 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.266 -2.146 . . . . 0.0 108.483 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.75 -44.33 73.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.708 -1.245 . . . . 0.0 112.863 171.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.54 -39.74 94.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.21 -38.61 83.88 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 126.645 1.978 . . . . 0.0 110.808 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.56 -42.68 41.92 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.916 2.086 . . . . 0.0 110.559 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -60.66 -30.86 70.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.906 -1.121 . . . . 0.0 113.376 167.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 m -63.09 -42.01 99.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.898 -1.127 . . . . 0.0 112.73 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.1 -44.63 83.77 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.695 -1.253 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.62 -44.5 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 120.272 -1.517 . . . . 0.0 114.883 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -55.16 -42.83 73.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.946 -1.721 . . . . 0.0 114.756 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.22 -34.51 11.61 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -119.84 51.84 1.15 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.488 -2.008 . . . . 0.0 110.552 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -39.52 -72.59 0.06 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.1 2.16 . . . . 0.0 116.532 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -71.32 -51.25 25.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.195 1.798 . . . . 0.0 112.737 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.37 93.82 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 118.477 -1.18 . . . . 0.0 114.942 -175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 1.0 OUTLIER -70.75 -45.81 64.12 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.122 -176.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.84 -54.07 3.52 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.417 2.371 . . . . 0.0 115.862 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.41 -60.33 7.21 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 114.848 0.699 . . . . 0.0 114.848 176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.16 -21.02 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 118.491 -2.77 . . . . 0.0 113.412 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -78.42 -23.8 46.49 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.693 -1.88 . . . . 0.0 113.632 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 mmm-85 -61.56 -40.6 95.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.478 1.49 . . . . 0.0 111.161 167.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.11 -50.68 53.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.842 1.657 . . . . 0.0 108.481 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.13 -46.69 87.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.004 -1.685 . . . . 0.0 111.298 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.99 -49.77 65.5 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.4 ptp -77.28 -20.31 55.26 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 121.124 -0.985 . . . . 0.0 113.563 -169.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.47 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.9 m-30 -88.44 -0.93 57.73 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.057 0.943 . . . . 0.0 111.979 -175.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.253 2.2 t . . . . . 0 N--CA 1.428 -1.531 0 CA-C-O 122.684 1.231 . . . . 0.0 108.033 167.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 p30 . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -52.9 -41.6 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.929 2.491 . . . . 0.0 115.586 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -65.63 -20.82 66.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.767 2.027 . . . . 0.0 112.642 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -78.88 -49.35 13.02 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.398 -1.439 . . . . 0.0 109.966 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.96 -37.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 119.009 -2.307 . . . . 0.0 114.063 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -49.63 -62.63 1.45 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 129.395 3.078 . . . . 0.0 112.516 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.98 -27.97 68.54 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mt -80.42 -29.76 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.263 -2.148 . . . . 0.0 112.194 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.69 -41.63 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.608 1.963 . . . . 0.0 113.308 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.5 p -75.96 -38.45 57.5 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 121.763 0.792 . . . . 0.0 113.097 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 t -51.46 -48.44 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-O 124.223 1.963 . . . . 0.0 113.938 163.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.74 62.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.57 -1.331 . . . . 0.0 110.537 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -74.28 -18.51 60.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.955 -1.716 . . . . 0.0 113.376 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-N 120.217 1.371 . . . . 0.0 110.402 164.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.55 -28.23 69.01 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.239 -2.163 . . . . 0.0 114.937 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.252 44.2 mt -77.26 -29.4 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 120.188 -1.57 . . . . 0.0 110.352 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.77 91.91 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.154 1.782 . . . . 0.0 114.134 170.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -94.38 8.98 40.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 119.925 -1.734 . . . . 0.0 113.812 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t 70.59 43.18 0.79 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.774 1.23 . . . . 0.0 113.886 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -121.34 31.83 6.17 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.87 2.468 . . . . 0.0 110.978 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.313 0.0 OUTLIER -61.9 -1.86 0.74 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 175.867 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.49 -26.96 63.84 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.417 -1.427 . . . . 0.0 112.084 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.56 -39.33 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.06 1.744 . . . . 0.0 111.127 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 t -74.72 -27.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.124 -1.61 . . . . 0.0 112.763 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -72.14 -11.81 60.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.329 2.252 . . . . 0.0 115.014 -171.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.76 124.11 21.96 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.92 -1.112 . . . . 0.0 110.049 170.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -49.61 60.76 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.102 1.761 . . . . 0.0 113.596 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.96 66.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 117.41 -3.306 . . . . 0.0 118.716 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.43 -32.1 26.26 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.791 -1.818 . . . . 0.0 111.018 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.79 -52.84 63.37 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.104 1.761 . . . . 0.0 111.3 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.58 -43.86 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 130.182 3.393 . . . . 0.0 113.534 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.63 68.68 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 174.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.12 39.21 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.081 173.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.0 -46.34 85.4 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.688 -1.882 . . . . 0.0 112.756 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -81.04 -9.2 59.86 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.443 -2.036 . . . . 0.0 113.768 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -70.87 -49.92 40.82 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.691 -1.256 . . . . 0.0 111.916 168.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.18 -12.62 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.484 -1.385 . . . . 0.0 114.21 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.97 43.28 6.04 Favored Glycine 0 N--CA 1.43 -1.756 0 N-CA-C 116.435 1.334 . . . . 0.0 116.435 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -96.68 127.57 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 119.353 1.577 . . . . 0.0 106.777 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -140.11 164.99 28.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -81.23 -67.81 0.75 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.93 0.871 . . . . 0.0 112.854 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -113.01 32.47 5.69 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.218 -1.551 . . . . 0.0 110.022 -170.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.05 15.72 60.96 Favored Glycine 0 N--CA 1.429 -1.776 0 O-C-N 119.788 -1.82 . . . . 0.0 115.511 -165.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -112.7 152.01 29.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.27 133.75 50.29 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.91 -1.744 . . . . 0.0 112.395 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -86.29 116.28 24.36 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.304 1.05 . . . . 0.0 109.757 -157.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.51 161.51 18.54 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -166.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.66 -42.21 78.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.396 -1.44 . . . . 0.0 114.577 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -71.59 -47.11 56.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.359 1.464 . . . . 0.0 111.931 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -70.33 -23.57 62.85 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.334 -2.104 . . . . 0.0 115.923 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.73 -51.9 67.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.773 -1.829 . . . . 0.0 112.147 163.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -65.85 -20.65 66.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.645 -1.284 . . . . 0.0 114.26 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER -68.81 -45.69 70.57 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.45 -2.031 . . . . 0.0 115.155 165.253 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.328 6.9 pt -57.12 -55.78 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 121.081 1.764 . . . . 0.0 112.741 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.46 -25.55 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -80.67 -49.13 11.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.18 11.4 9.95 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -160.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.64 146.34 25.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.471 1.508 . . . . 0.0 111.161 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -86.52 170.93 11.47 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.223 -1.548 . . . . 0.0 107.066 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -61.07 -40.78 94.98 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.252 -2.155 . . . . 0.0 112.43 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.41 -35.51 70.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.077 2.151 . . . . 0.0 115.305 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.31 -36.24 63.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.434 -1.416 . . . . 0.0 113.751 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -73.1 -44.83 59.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.745 -1.222 . . . . 0.0 109.935 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -52.66 -40.62 63.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 120.525 1.511 . . . . 0.0 114.048 164.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -59.7 -39.43 84.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 175.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.2 -45.6 66.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.353 -1.467 . . . . 0.0 112.991 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.23 -48.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.872 2.069 . . . . 0.0 113.099 171.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -59.44 -45.73 90.74 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.91 1.684 . . . . 0.0 114.692 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -100.21 -27.6 13.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.815 -1.178 . . . . 0.0 113.982 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.16 60.66 0.78 Allowed 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -53.47 -70.16 0.1 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.528 1.931 . . . . 0.0 114.989 -167.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -57.39 -56.51 20.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.775 1.63 . . . . 0.0 114.23 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.24 -50.77 62.0 Favored Glycine 0 N--CA 1.431 -1.672 0 C-N-CA 125.759 1.647 . . . . 0.0 115.394 -173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . 0.402 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.315 0.5 OUTLIER -78.43 -35.77 46.47 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.681 1.741 . . . . 0.0 111.823 -175.905 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -54.02 -55.24 29.16 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 122.759 2.527 . . . . 0.0 114.809 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.69 7.1 Favored Glycine 0 N--CA 1.43 -1.747 0 CA-C-O 122.837 1.243 . . . . 0.0 114.907 173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' B' ' 77' ' ' PHE . 16.2 m -64.91 -26.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.722 -2.046 . . . . 0.0 115.759 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.04 -15.5 58.87 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.806 -1.809 . . . . 0.0 112.912 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -63.68 -49.42 73.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.492 -2.005 . . . . 0.0 111.084 160.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -64.76 -59.76 3.87 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 126.558 1.943 . . . . 0.0 110.491 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -51.98 -36.38 49.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.841 -1.787 . . . . 0.0 114.956 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -77.37 -36.78 53.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.906 -1.121 . . . . 0.0 112.036 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.4 ptp -75.02 -29.09 60.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.832 -1.793 . . . . 0.0 113.427 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.35 12.78 13.19 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.464 1.506 . . . . 0.0 112.623 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.453 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.443 0 C-N-CA 125.172 1.389 . . . . 0.0 109.505 163.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.43 -1.44 0 CA-C-O 121.8 0.809 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.02 -45.38 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.128 2.571 . . . . 0.0 113.166 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.16 -42.71 66.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.742 2.017 . . . . 0.0 115.129 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -83.49 -32.08 26.15 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 123.623 0.769 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.35 -38.28 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 O-C-N 119.333 -2.105 . . . . 0.0 113.06 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -66.56 -48.08 70.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.956 2.102 . . . . 0.0 113.528 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.96 -51.17 43.42 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.391 1.476 . . . . 0.0 112.034 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -77.43 -23.68 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.397 -1.439 . . . . 0.0 113.737 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.02 -62.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 118.475 -2.64 . . . . 0.0 112.178 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -59.11 -36.27 74.87 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.779 1.232 . . . . 0.0 112.628 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.86 -42.86 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.76 1.624 . . . . 0.0 114.93 169.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.24 -38.73 68.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 118.03 -2.919 . . . . 0.0 110.459 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -25.3 67.43 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 mm -55.97 -50.76 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 120.249 1.386 . . . . 0.0 110.505 164.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.97 -43.75 86.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 122.723 0.409 . . . . 0.0 111.743 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -76.93 -19.43 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 O-C-N 118.791 -2.443 . . . . 0.0 113.674 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -44.18 97.28 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.294 -2.754 . . . . 0.0 110.953 166.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.01 -2.56 44.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.216 1.806 . . . . 0.0 113.422 172.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 52.51 47.57 24.42 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -110.31 58.64 0.61 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.868 1.667 . . . . 0.0 110.875 168.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.351 0.0 OUTLIER -69.15 -11.17 60.56 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 178.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -35.69 26.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.149 2.58 . . . . 0.0 116.453 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mt -75.1 -33.68 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.283 -1.511 . . . . 0.0 111.108 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.45 -34.88 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.54 -1.35 . . . . 0.0 111.229 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -50.51 -13.75 0.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 129.765 3.226 . . . . 0.0 119.411 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.48 133.33 32.58 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.598 -1.939 . . . . 0.0 109.014 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -54.49 -48.03 72.32 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.659 1.184 . . . . 0.0 113.38 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.72 -51.64 68.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.357 -1.464 . . . . 0.0 114.505 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -54.35 -34.05 60.29 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -71.03 -49.43 45.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.564 1.546 . . . . 0.0 112.288 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.17 -42.38 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 129.06 2.944 . . . . 0.0 114.587 168.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.88 31.63 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.22 -42.36 14.11 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.011 2.124 . . . . 0.0 114.262 169.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.22 -45.57 75.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 120.353 1.433 . . . . 0.0 114.252 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -76.12 -23.33 54.87 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.726 -1.859 . . . . 0.0 113.764 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.95 -47.1 72.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.353 -1.467 . . . . 0.0 112.899 171.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.8 pt -82.5 -19.98 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 O-C-N 120.731 -1.231 . . . . 0.0 112.578 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.15 24.77 13.87 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-O 117.968 -1.462 . . . . 0.0 116.365 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.61 125.43 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.948 3.874 . . . . 0.0 109.832 172.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -107.89 157.34 18.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.254 7.9 t60 -79.84 -96.73 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.244 -0.91 . . . . 0.0 112.847 169.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -91.58 50.1 1.67 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.757 -1.84 . . . . 0.0 110.199 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.34 -0.34 69.01 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.847 -1.158 . . . . 0.0 114.949 -170.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -125.89 169.33 12.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.972 -1.311 . . . . 0.0 110.449 -167.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -67.8 127.05 31.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.73 120.38 27.09 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.357 1.551 . . . . 0.0 111.594 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -100.0 175.59 5.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.295 1.438 . . . . 0.0 112.298 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -72.91 -46.63 51.53 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.053 -1.654 . . . . 0.0 113.707 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -66.33 -43.92 84.76 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.205 1.402 . . . . 0.0 111.912 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -74.14 -18.33 60.8 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.506 1.522 . . . . 0.0 114.137 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -70.37 -46.43 64.09 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 123.669 1.7 . . . . 0.0 110.676 169.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -63.1 -35.4 80.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.272 -2.142 . . . . 0.0 112.166 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -25.1 62.97 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 174.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.36 40.4 pt -68.0 -45.33 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 121.1 -1.0 . . . . 0.0 113.54 168.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.72 -43.51 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -78.51 -55.23 5.37 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -167.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.24 11.76 2.7 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.003 2.224 . . . . 0.0 117.003 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.11 148.99 7.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 126.129 1.771 . . . . 0.0 114.7 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.4 p -89.91 172.87 8.57 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.42 -1.425 . . . . 0.0 109.439 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -58.57 -45.24 89.43 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.228 -1.545 . . . . 0.0 112.331 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.89 -35.22 77.69 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.53 -43.52 89.75 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.42 1.105 . . . . 0.0 112.267 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -72.84 -47.25 47.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.693 -1.254 . . . . 0.0 110.195 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.98 -37.98 55.01 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.037 1.335 . . . . 0.0 113.288 167.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.7 m -60.46 -44.28 96.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 112.501 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 mt -71.24 -38.99 71.93 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.717 -1.239 . . . . 0.0 112.964 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -56.12 -47.66 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.371 1.469 . . . . 0.0 112.906 170.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.39 -40.5 94.56 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.54 -29.9 17.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.615 -1.303 . . . . 0.0 113.512 -174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.48 56.57 1.36 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -50.62 -58.46 5.78 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.332 -2.105 . . . . 0.0 114.596 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 -46.42 81.78 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 124.023 1.868 . . . . 0.0 113.92 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.25 -50.1 6.98 Favored Glycine 0 N--CA 1.43 -1.751 0 O-C-N 120.863 -1.148 . . . . 0.0 113.57 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.265 1.6 t80 -75.7 -32.62 60.16 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.084 -1.245 . . . . 0.0 110.746 -173.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.62 -50.91 62.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.073 2.215 . . . . 0.0 114.096 167.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.48 -70.4 1.02 Allowed Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.369 -1.457 . . . . 0.0 114.727 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -67.68 -21.72 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.068 -2.43 . . . . 0.0 115.389 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -80.44 -21.53 42.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 120.607 1.548 . . . . 0.0 112.578 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.2 mmt-85 -62.61 -37.35 85.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 115.911 -2.316 . . . . 0.0 113.248 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.48 -51.81 13.76 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.226 1.41 . . . . 0.0 107.839 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.65 -41.31 97.33 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.697 -1.877 . . . . 0.0 111.967 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.62 -35.94 75.7 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.583 -1.948 . . . . 0.0 114.061 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -72.66 -29.61 63.58 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.196 -1.565 . . . . 0.0 113.824 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -85.67 -7.82 58.58 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.575 1.15 . . . . 0.0 110.132 -175.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.28 5.8 t . . . . . 0 N--CA 1.43 -1.442 0 CA-C-O 122.709 1.242 . . . . 0.0 110.605 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.429 -1.495 0 CA-C-O 121.324 0.583 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tt -53.82 -40.47 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 126.664 1.986 . . . . 0.0 114.887 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -68.23 -22.03 64.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.856 1.662 . . . . 0.0 115.102 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -87.31 -34.48 18.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.635 1.207 . . . . 0.0 111.764 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.79 -38.85 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 124.371 1.069 . . . . 0.0 108.722 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -51.56 -61.13 2.44 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 130.976 3.711 . . . . 0.0 112.603 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.31 -31.55 63.8 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.56 -26.18 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.232 -1.542 . . . . 0.0 110.681 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mt -60.58 -43.21 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 127.142 2.177 . . . . 0.0 113.564 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -76.21 -40.83 51.25 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.087 0.47 . . . . 0.0 112.195 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.4 -44.03 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.462 1.505 . . . . 0.0 113.625 161.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -29.91 65.01 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.53 0.681 . . . . 0.0 111.617 -175.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.8 p -73.95 -18.28 60.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.266 -2.146 . . . . 0.0 115.597 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.4 -48.78 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.574 1.654 . . . . 0.0 110.927 168.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.808 -1.182 . . . . 0.0 113.093 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.276 21.9 mt -72.94 -36.67 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 O-C-N 120.879 -1.138 . . . . 0.0 112.261 171.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.51 76.78 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.97 1.708 . . . . 0.0 114.069 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -92.93 1.03 57.51 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.247 -1.533 . . . . 0.0 115.051 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t 71.83 39.39 0.85 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.869 1.318 . . . . 0.0 113.453 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -113.8 38.66 2.89 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.912 2.085 . . . . 0.0 109.476 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -6.33 8.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.69 1.596 . . . . 0.0 114.603 169.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.25 -39.51 90.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.349 2.26 . . . . 0.0 112.31 165.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.3 mt -69.4 -34.91 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.871 1.668 . . . . 0.0 110.244 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -72.66 -32.47 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 O-C-N 120.39 -1.443 . . . . 0.0 113.536 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -24.76 67.02 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.765 2.426 . . . . 0.0 117.398 -166.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.9 133.7 50.62 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 111.309 169.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -48.03 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.717 1.607 . . . . 0.0 112.733 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.7 62.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.273 -2.767 . . . . 0.0 117.031 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -82.65 -35.0 27.28 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.19 -1.569 . . . . 0.0 109.618 171.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -66.89 -49.53 65.32 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.102 2.561 . . . . 0.0 111.109 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.77 -44.3 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 129.321 3.048 . . . . 0.0 112.423 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.88 64.02 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.831 -1.793 . . . . 0.0 111.935 176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.44 -33.08 54.9 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.773 -1.204 . . . . 0.0 110.764 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.22 -47.08 75.83 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.187 -2.196 . . . . 0.0 111.346 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.95 -15.52 59.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.21 -45.46 66.54 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 120.891 1.678 . . . . 0.0 112.005 165.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.4 pt -88.58 -25.0 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.26 50.01 5.63 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 118.097 1.999 . . . . 0.0 118.097 -173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -90.33 129.45 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 157.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -119.54 163.72 16.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.714 0.806 . . . . 0.0 110.961 -170.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 20.7 t60 -79.66 -98.53 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 161.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -95.92 59.41 2.0 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.013 -2.304 . . . . 0.0 109.62 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.34 6.53 34.29 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 120.551 -1.343 . . . . 0.0 114.112 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -104.56 148.12 26.85 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.831 2.815 . . . . 0.0 105.47 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.1 135.4 53.54 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.171 -0.956 . . . . 0.0 109.383 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.24 120.86 31.75 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.201 -1.562 . . . . 0.0 110.987 -154.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -82.44 162.0 22.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.555 -0.716 . . . . 0.0 111.571 -167.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.35 -44.76 90.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.238 -1.538 . . . . 0.0 113.341 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -65.55 -47.74 74.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.9 0.88 . . . . 0.0 112.313 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 4.7 m -71.28 -21.93 62.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.618 1.567 . . . . 0.0 115.129 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.23 -55.98 13.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.251 1.5 . . . . 0.0 112.031 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.8 -30.66 70.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.502 1.521 . . . . 0.0 112.807 -175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -66.11 -47.97 72.41 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.082 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.347 31.3 pt -59.01 -48.05 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 120.368 1.44 . . . . 0.0 114.133 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.18 -33.32 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -83.22 -44.87 14.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.38 10.56 8.43 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -166.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.87 149.64 26.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.736 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -89.94 170.93 9.95 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.278 -1.514 . . . . 0.0 108.124 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -57.57 -41.97 82.14 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.533 -1.98 . . . . 0.0 113.641 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.78 -36.82 82.18 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.67 -31.7 68.71 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.655 -1.278 . . . . 0.0 112.615 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -73.62 -54.48 8.05 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.974 1.31 . . . . 0.0 108.937 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.64 -41.59 6.77 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.651 1.581 . . . . 0.0 114.373 168.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -58.61 -43.67 89.7 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.011 0.91 . . . . 0.0 113.225 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.14 -38.71 66.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.08 -1.638 . . . . 0.0 112.576 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -56.64 -47.28 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.058 1.743 . . . . 0.0 113.196 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -65.48 -43.43 90.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 124.928 1.291 . . . . 0.0 114.115 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.78 -36.98 12.01 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.08 58.59 0.61 Allowed 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.574 -1.954 . . . . 0.0 109.517 -172.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -52.68 -66.78 0.33 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.404 1.882 . . . . 0.0 115.313 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -49.77 -61.76 1.94 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.659 1.584 . . . . 0.0 114.864 173.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.23 -57.1 20.04 Favored Glycine 0 N--CA 1.43 -1.729 0 C-N-CA 125.594 1.569 . . . . 0.0 114.974 -170.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.15 -29.75 54.7 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 118.455 1.128 . . . . 0.0 111.203 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -53.63 -56.88 13.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.435 1.925 . . . . 0.0 112.846 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.03 -61.0 7.85 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 115.226 0.851 . . . . 0.0 115.226 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.1 m -66.65 -28.18 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 120.221 -1.753 . . . . 0.0 115.046 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -76.34 -14.87 60.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.677 -1.889 . . . . 0.0 112.685 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -64.09 -49.72 71.13 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.287 -2.133 . . . . 0.0 111.252 160.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.41 -61.17 2.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.953 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 69.7 mt -55.57 -34.65 64.97 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.499 1.92 . . . . 0.0 113.81 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.4 -41.8 46.57 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 120.51 1.504 . . . . 0.0 111.779 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 14.3 ptp -71.73 -31.64 66.92 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.897 -1.752 . . . . 0.0 113.122 -172.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.26 -2.34 52.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.141 1.377 . . . . 0.0 111.766 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.354 2.4 t . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 123.391 1.567 . . . . 0.0 110.692 170.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 N--CA 1.43 -1.47 0 CA-C-O 122.336 1.065 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 tt -40.76 -49.44 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 128.762 2.825 . . . . 0.0 116.079 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -54.85 -33.24 61.56 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.733 3.213 . . . . 0.0 113.649 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -95.62 -31.19 13.39 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.721 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 t -57.96 -42.13 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 116.687 -3.758 . . . . 0.0 112.334 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.15 8.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 130.451 3.5 . . . . 0.0 113.376 -178.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.93 -23.34 65.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.42 -29.27 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 118.539 -2.601 . . . . 0.0 110.84 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -60.95 -44.35 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.051 2.14 . . . . 0.0 112.089 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 p -60.55 -51.2 70.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 123.116 0.566 . . . . 0.0 111.967 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -48.5 -53.08 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 165.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.47 78.21 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.922 1.82 . . . . 0.0 110.082 -172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.272 60.4 p -71.21 -12.32 61.4 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 117.65 -3.156 . . . . 0.0 116.113 171.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.5 mm -69.07 -43.75 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-O 123.737 1.732 . . . . 0.0 111.205 164.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.96 -28.39 65.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 119.247 -2.158 . . . . 0.0 112.079 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.27 8.7 mt -74.85 -42.53 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.868 -1.145 . . . . 0.0 110.382 171.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -37.43 -55.38 1.06 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.035 2.534 . . . . 0.0 115.507 168.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -83.62 3.8 31.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.537 1.935 . . . . 0.0 114.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 3.3 t 60.09 44.09 13.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.158 1.783 . . . . 0.0 115.352 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 25' ' ' ASP . 18.8 mmm180 -115.24 35.06 4.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.843 2.457 . . . . 0.0 110.631 177.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -61.26 4.98 0.07 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 129.379 3.072 . . . . 0.0 117.6 176.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 23' ' ' ARG . 2.9 m-20 -78.78 -33.93 45.97 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 127.613 2.365 . . . . 0.0 111.181 173.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.47 -46.88 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-O 122.967 1.365 . . . . 0.0 111.142 171.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.97 -24.6 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.518 1.527 . . . . 0.0 110.713 -172.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 33.3 tt0 -59.68 -23.31 63.0 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -108.59 130.97 55.3 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.399 -2.063 . . . . 0.0 110.168 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -47.48 -55.26 9.44 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.394 2.278 . . . . 0.0 113.613 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.71 -53.24 10.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.625 -2.547 . . . . 0.0 117.235 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -38.97 -42.58 0.88 Allowed 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -63.79 -48.41 77.02 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.693 1.997 . . . . 0.0 113.921 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.25 -43.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 128.756 2.822 . . . . 0.0 114.127 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.63 99.36 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.282 -2.136 . . . . 0.0 113.027 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.301 25.7 t80 -59.1 -41.02 87.1 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.215 2.206 . . . . 0.0 112.909 170.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.05 -48.33 73.61 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.292 -1.505 . . . . 0.0 113.717 169.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -66.98 -36.99 83.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.505 -1.372 . . . . 0.0 113.868 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -55.03 -56.4 20.21 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.829 -1.794 . . . . 0.0 115.376 170.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 pt -83.86 -21.98 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.25 48.53 3.27 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 117.407 1.723 . . . . 0.0 117.407 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.21 132.22 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 120.235 2.017 . . . . 0.0 108.705 166.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -127.67 140.41 52.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.757 -1.215 . . . . 0.0 109.7 -171.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.275 36.7 t60 -74.84 -92.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.152 -1.592 . . . . 0.0 112.426 169.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -92.19 46.26 1.25 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.758 -1.839 . . . . 0.0 109.272 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.7 26.11 66.4 Favored Glycine 0 N--CA 1.431 -1.686 0 O-C-N 118.509 -2.619 . . . . 0.0 117.756 -168.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -131.12 166.46 21.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.452 1.501 . . . . 0.0 107.618 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -72.53 157.8 36.92 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.851 -1.781 . . . . 0.0 110.967 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.71 126.65 48.6 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.116 -1.615 . . . . 0.0 109.189 -170.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -93.23 164.88 13.07 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -169.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -72.54 -43.15 63.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 119.91 -1.744 . . . . 0.0 113.011 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -69.13 -44.96 71.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.376 1.07 . . . . 0.0 113.827 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.1 m -68.1 -24.31 65.02 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.68 -45.35 68.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.02 -2.3 . . . . 0.0 109.897 168.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -63.78 -39.73 94.96 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.253 -1.529 . . . . 0.0 113.706 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.267 26.3 pttt -56.96 -41.29 78.05 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.041 -1.662 . . . . 0.0 115.336 169.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.347 44.2 pt -63.08 -42.55 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 O-C-N 119.772 -1.83 . . . . 0.0 114.722 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.06 -44.05 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -75.81 -53.89 7.78 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.432 8.9 pt-20 -85.75 15.52 4.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.366 2.358 . . . . 0.0 117.366 -168.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -48.48 157.94 0.31 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.161 -1.587 . . . . 0.0 114.399 170.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.423 ' HG1' ' CG ' ' A' ' 65' ' ' ASP . 14.4 p -83.03 171.54 13.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.871 -1.768 . . . . 0.0 109.291 171.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -63.82 -48.99 74.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.869 -2.395 . . . . 0.0 113.514 166.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.38 -40.06 73.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.834 1.253 . . . . 0.0 113.772 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 14.1 m-20 -48.8 -44.03 38.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 168.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -85.09 -27.16 26.48 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.341 -1.475 . . . . 0.0 108.614 -172.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.29 -34.6 59.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 107.887 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -60.19 -52.52 64.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.601 1.16 . . . . 0.0 113.27 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.71 -42.62 65.01 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 166.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.76 -44.78 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.216 -2.177 . . . . 0.0 112.575 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -57.69 -30.27 65.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -112.17 -20.76 11.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -122.91 55.44 1.19 Allowed 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.947 -2.345 . . . . 0.0 106.95 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -53.14 -68.09 0.2 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 123.101 1.429 . . . . 0.0 114.848 -160.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.06 -40.75 78.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.35 -51.92 34.59 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 125.478 1.514 . . . . 0.0 114.001 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.8 -34.58 62.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.447 1.123 . . . . 0.0 110.13 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.39 -57.38 3.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.152 -2.217 . . . . 0.0 113.671 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.18 -63.5 4.5 Favored Glycine 0 N--CA 1.431 -1.681 0 O-C-N 120.013 -1.679 . . . . 0.0 114.212 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.97 -24.48 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.51 -2.17 . . . . 0.0 113.731 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.43 -7.24 59.03 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.891 1.678 . . . . 0.0 112.6 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -66.45 -54.89 19.0 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 117.59 -3.194 . . . . 0.0 111.446 153.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.417 ' HD1' ' H ' ' A' ' 83' ' ' TYR . 6.1 m-85 -49.18 -51.95 29.54 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.102 2.161 . . . . 0.0 113.299 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.67 -29.16 64.29 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.093 -2.254 . . . . 0.0 111.676 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.31 -61.07 2.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.255 1.022 . . . . 0.0 111.094 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.29 11.5 ptp -55.78 -50.1 71.38 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -174.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 8.2 m-85 -54.43 -13.53 0.96 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 170.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 3.5 t . . . . . 0 N--CA 1.43 -1.458 0 O-C-N 120.395 -1.44 . . . . 0.0 109.564 168.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 N--CA 1.43 -1.463 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.08 -39.92 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.578 1.951 . . . . 0.0 108.674 -165.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.85 -35.41 57.45 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.351 2.661 . . . . 0.0 112.834 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -55.85 8.64 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.383 1.073 . . . . 0.0 109.53 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.62 -40.67 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.144 1.378 . . . . 0.0 112.567 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' B' ' 10' ' ' GLU . 12.4 ttt-85 -50.74 -64.89 0.67 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.852 3.661 . . . . 0.0 114.481 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' B' ' 9' ' ' ARG 0.298 14.0 pt-20 -63.73 -34.88 78.86 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 176.262 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.38 -26.98 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 119.112 -2.242 . . . . 0.0 113.465 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.37 -57.87 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.341 2.656 . . . . 0.0 112.8 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -59.8 -30.72 69.1 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 128.632 2.773 . . . . 0.0 113.851 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.79 -41.19 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 168.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -36.98 54.78 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 118.506 -2.622 . . . . 0.0 110.612 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.291 86.1 p -61.24 -29.2 69.69 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 169.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 24.2 mm -44.93 -56.06 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-N 121.668 2.031 . . . . 0.0 114.222 156.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.88 -41.43 97.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mt -71.73 -22.49 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.044 -2.285 . . . . 0.0 114.361 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.69 76.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.164 -2.21 . . . . 0.0 111.164 169.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -69.68 -30.71 68.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.412 -0.805 . . . . 0.0 113.146 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.308 5.0 t 94.85 44.06 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.389 2.275 . . . . 0.0 111.363 170.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -115.68 58.71 0.73 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.043 2.137 . . . . 0.0 111.067 169.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -64.86 -11.04 33.13 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 177.055 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -39.26 16.07 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.551 2.34 . . . . 0.0 116.783 166.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.12 -34.17 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 119.378 -2.076 . . . . 0.0 111.673 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.6 -35.07 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.087 1.355 . . . . 0.0 110.081 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -54.93 -20.7 9.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.994 2.918 . . . . 0.0 116.657 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -129.91 128.0 41.28 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.259 -2.15 . . . . 0.0 107.662 173.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -50.25 -45.81 54.45 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.226 1.41 . . . . 0.0 113.395 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -54.93 39.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -53.67 -32.09 50.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -68.97 -51.43 39.56 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.19 1.396 . . . . 0.0 113.163 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.8 mt -54.89 -38.62 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 129.229 3.012 . . . . 0.0 113.2 172.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.1 -57.59 12.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.455 1.502 . . . . 0.0 110.746 173.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -47.55 -42.42 23.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.565 1.546 . . . . 0.0 114.849 166.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -33.47 74.19 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.434 -2.041 . . . . 0.0 114.395 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -76.97 -28.1 55.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.986 -1.696 . . . . 0.0 113.246 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.59 -54.81 12.25 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.182 -1.574 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 16.5 pt -80.07 -18.7 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 111.362 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.79 10.45 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 118.966 2.346 . . . . 0.0 118.966 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.82 107.22 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 CA-C-N 123.167 3.483 . . . . 0.0 108.992 167.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.3 p -109.84 113.61 26.48 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -65.54 -62.79 1.32 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -170.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.01 44.06 1.19 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.789 -1.819 . . . . 0.0 110.776 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.62 9.81 82.54 Favored Glycine 0 N--CA 1.431 -1.654 0 N-CA-C 114.854 0.702 . . . . 0.0 114.854 -169.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -117.45 144.06 45.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.424 1.49 . . . . 0.0 108.424 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -77.85 162.41 26.89 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.112 -1.618 . . . . 0.0 112.213 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.6 128.96 38.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 114.13 -167.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -92.52 160.59 14.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.088 1.755 . . . . 0.0 108.827 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -70.12 -42.88 72.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.985 -1.697 . . . . 0.0 114.506 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -66.33 -40.36 89.83 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -73.22 -25.93 60.94 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.64 1.576 . . . . 0.0 111.858 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -71.8 -43.14 66.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.171 0.988 . . . . 0.0 109.41 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -68.12 -34.06 75.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.181 -1.575 . . . . 0.0 112.248 -176.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.272 28.4 pttt -65.88 -45.33 82.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 171.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 28.7 pt -55.15 -37.22 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 m -83.28 -38.51 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -89.33 -40.98 12.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.3 9.85 27.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.198 1.817 . . . . 0.0 112.938 -163.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.91 152.54 7.29 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.14 2.576 . . . . 0.0 112.427 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.7 p -82.01 171.77 14.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -69.3 -41.37 76.88 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.472 -1.392 . . . . 0.0 111.352 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.62 -47.56 40.07 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 127.567 2.347 . . . . 0.0 115.129 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.05 -34.6 70.27 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.376 1.56 . . . . 0.0 113.978 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -83.34 -42.13 17.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.163 -1.586 . . . . 0.0 110.196 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -55.0 -39.14 68.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.307 -1.496 . . . . 0.0 113.277 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.6 m -58.71 -40.53 83.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.127 1.442 . . . . 0.0 114.051 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.25 -38.91 65.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.163 -2.211 . . . . 0.0 110.319 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.45 -43.68 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.941 -1.724 . . . . 0.0 114.851 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -71.81 -36.55 70.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.64 -1.912 . . . . 0.0 116.145 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -85.6 -35.39 21.03 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.577 -1.327 . . . . 0.0 114.249 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.32 66.26 0.88 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.013 -2.304 . . . . 0.0 110.249 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -53.76 -65.74 0.51 Allowed 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.554 1.168 . . . . 0.0 113.163 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.82 -49.76 75.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.634 1.573 . . . . 0.0 113.561 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.05 23.3 Favored Glycine 0 N--CA 1.43 -1.713 0 O-C-N 120.275 -1.516 . . . . 0.0 115.612 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.287 4.5 t80 -68.92 -40.58 79.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 119.252 1.526 . . . . 0.0 109.17 -173.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -44.56 -56.51 4.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.927 2.149 . . . . 0.0 116.03 167.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -70.02 1.13 Allowed Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 115.688 1.035 . . . . 0.0 115.688 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -28.58 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.007 -2.467 . . . . 0.0 114.355 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . 0.252 24.5 t80 -64.77 -41.27 95.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 122.577 2.444 . . . . 0.0 115.192 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -45.16 -51.52 10.37 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 162.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -71.14 -46.9 60.6 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.621 -0.675 . . . . 0.0 110.449 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.72 -47.67 85.24 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.407 1.483 . . . . 0.0 112.119 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.04 -59.39 3.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.188 1.358 . . . . 0.0 114.503 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.376 9.8 ptp -44.37 -35.83 2.56 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 120.231 3.419 . . . . 0.0 120.231 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.12 -3.76 58.91 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.768 -1.832 . . . . 0.0 112.75 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.303 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.454 0 CA-C-O 123.771 1.748 . . . . 0.0 107.472 171.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -45.34 -47.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.078 2.151 . . . . 0.0 115.566 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -68.13 -10.82 57.03 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.559 1.944 . . . . 0.0 113.707 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -46.65 8.36 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.638 1.575 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.79 -47.22 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.087 1.755 . . . . 0.0 109.469 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -39.67 -68.22 0.18 Allowed 'General case' 0 N--CA 1.429 -1.511 1 C-N-CA 132.493 4.317 . . . . 0.0 114.529 169.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -67.38 -26.64 66.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.484 -2.01 . . . . 0.0 114.025 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.09 -35.67 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.6 -1.938 . . . . 0.0 111.077 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mt -55.49 -33.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 129.301 3.041 . . . . 0.0 116.318 170.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -81.95 -31.25 31.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.282 -0.887 . . . . 0.0 110.438 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.83 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.417 2.287 . . . . 0.0 114.009 164.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.0 97.78 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.337 -2.102 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 p -68.29 -13.63 62.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.48 -53.99 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.67 -1.269 . . . . 0.0 110.898 163.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.14 -33.93 75.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.778 -1.201 . . . . 0.0 112.823 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.0 mt -79.29 -20.91 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.901 -1.124 . . . . 0.0 112.576 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.7 -40.44 96.79 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.486 -1.384 . . . . 0.0 110.999 164.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.07 3.27 52.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.337 1.455 . . . . 0.0 113.477 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 59.46 32.47 21.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.51 2.324 . . . . 0.0 116.408 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -103.64 39.43 1.6 Allowed 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 127.562 2.345 . . . . 0.0 112.083 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.366 0.0 OUTLIER -61.71 -17.47 55.85 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -37.24 -43.23 0.51 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.258 2.223 . . . . 0.0 116.651 165.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.22 -49.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.906 1.682 . . . . 0.0 112.329 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -61.13 -39.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 126.916 2.086 . . . . 0.0 111.879 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -63.11 -18.77 63.78 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.485 2.314 . . . . 0.0 116.131 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -114.09 115.12 27.04 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.253 -2.154 . . . . 0.0 110.297 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB2' ' HA ' ' A' ' 88' ' ' THR . 6.7 ttp-105 -33.66 -63.86 0.24 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 129.355 3.062 . . . . 0.0 114.531 172.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.17 -15.0 59.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 118.417 2.747 . . . . 0.0 118.417 -175.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -86.34 -36.53 19.19 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -56.6 -53.67 54.96 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.549 2.34 . . . . 0.0 112.484 170.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mt -53.44 -42.7 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.284 2.233 . . . . 0.0 115.455 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.99 -25.18 65.29 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.73 -1.856 . . . . 0.0 115.204 172.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -73.93 -41.58 61.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 109.877 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.92 -39.36 71.55 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.905 1.682 . . . . 0.0 113.462 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -77.42 -14.19 59.76 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.954 -1.716 . . . . 0.0 115.431 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -78.01 -53.45 7.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 120.079 1.309 . . . . 0.0 112.055 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -6.8 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.062 -1.024 . . . . 0.0 112.705 -173.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.28 49.11 5.67 Favored Glycine 0 N--CA 1.43 -1.708 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.11 109.79 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 119.507 1.653 . . . . 0.0 108.827 172.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -104.04 132.09 50.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.445 -0.784 . . . . 0.0 110.73 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.276 2.0 t60 -71.56 -95.07 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.695 -1.253 . . . . 0.0 113.635 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -88.06 47.59 1.52 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.554 -1.966 . . . . 0.0 111.313 -173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.68 6.42 77.23 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -122.54 152.88 39.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.79 146.01 34.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.376 1.444 . . . . 0.0 110.269 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.12 134.79 34.24 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.093 -1.629 . . . . 0.0 111.803 -151.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.01 157.67 17.14 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.732 -1.23 . . . . 0.0 111.548 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.37 -41.22 94.02 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.444 -1.41 . . . . 0.0 113.986 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -67.98 -53.49 25.7 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.573 1.149 . . . . 0.0 113.08 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.6 m -59.29 -24.92 63.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.22 -48.95 79.55 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.958 1.837 . . . . 0.0 112.723 168.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -68.06 -30.05 69.16 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.725 -1.234 . . . . 0.0 112.317 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -68.92 -45.22 71.4 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.62 -1.3 . . . . 0.0 113.825 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 24.1 pt -58.76 -48.37 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 119.69 -1.881 . . . . 0.0 113.296 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.81 -31.49 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -88.0 -51.81 5.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 6.5 pt-20 -91.53 11.11 25.18 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 119.523 -1.985 . . . . 0.0 114.741 -164.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.3 mt -37.75 145.62 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.505 -1.372 . . . . 0.0 114.024 160.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.3 p -75.37 174.23 9.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.758 -1.839 . . . . 0.0 110.796 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -65.01 -40.33 94.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.854 -1.778 . . . . 0.0 110.964 171.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -57.37 -50.29 73.46 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -58.36 -34.7 70.97 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.964 1.705 . . . . 0.0 114.968 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.45 -46.32 49.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.4 -31.26 71.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.257 -2.152 . . . . 0.0 113.074 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.0 m -61.09 -41.23 96.29 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.593 1.557 . . . . 0.0 113.672 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.55 -32.15 62.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.16 -1.588 . . . . 0.0 111.639 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.21 -28.24 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.186 1.795 . . . . 0.0 113.891 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -66.63 -48.8 68.29 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.834 -1.791 . . . . 0.0 114.554 172.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -89.93 -53.52 4.45 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -174.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -86.89 62.1 7.2 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.809 2.844 . . . . 0.0 112.567 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -57.56 -64.84 0.76 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.907 1.283 . . . . 0.0 114.048 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.98 -55.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.048 1.739 . . . . 0.0 112.769 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.74 -57.42 16.27 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -174.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.273 0.5 OUTLIER -78.64 -30.12 46.23 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 119.171 1.486 . . . . 0.0 110.606 -169.272 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.27 -50.04 68.18 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.221 2.282 . . . . 0.0 113.018 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.52 -70.95 0.85 Allowed Glycine 0 N--CA 1.431 -1.689 0 O-C-N 120.107 -1.62 . . . . 0.0 114.267 170.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.18 -19.29 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.252 -2.322 . . . . 0.0 115.241 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -83.04 -15.86 49.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.022 -1.674 . . . . 0.0 112.814 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -70.01 -37.74 75.74 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 123.408 2.822 . . . . 0.0 111.74 163.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.26 -62.24 1.66 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.159 2.184 . . . . 0.0 107.424 -174.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.0 mt -56.36 -28.85 60.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.06 -41.64 70.48 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.102 -1.624 . . . . 0.0 113.613 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -86.05 -23.3 26.81 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.59 -1.319 . . . . 0.0 114.376 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.4 m-30 -78.26 -1.02 30.98 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.762 -1.211 . . . . 0.0 113.795 -171.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 30' ' ' ARG 0.28 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.478 0 C-N-CA 124.695 1.198 . . . . 0.0 107.955 169.532 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 N--CA 1.43 -1.446 0 CA-C-O 121.81 0.814 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.407 HG23 ' H ' ' B' ' 5' ' ' ILE . 17.4 tt -71.05 -41.29 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.52 0 C-N-CA 128.894 2.878 . . . . 0.0 115.95 -163.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.03 -32.14 65.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.839 2.056 . . . . 0.0 113.438 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -59.55 3.5 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 125.641 1.577 . . . . 0.0 108.752 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 t -51.21 -35.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 C-N-CA 126.638 1.975 . . . . 0.0 113.485 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -59.13 -62.23 2.04 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 128.852 2.861 . . . . 0.0 112.094 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.98 -39.63 92.83 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 121.032 -1.042 . . . . 0.0 113.73 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -71.31 -23.5 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.344 -1.472 . . . . 0.0 113.003 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -60.43 -52.51 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 118.982 -2.324 . . . . 0.0 110.841 168.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -26.29 66.34 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.459 1.504 . . . . 0.0 114.869 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.44 -42.61 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.784 -1.197 . . . . 0.0 111.426 167.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.09 73.25 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.816 -2.428 . . . . 0.0 113.332 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -60.68 -26.72 67.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mm -60.71 -46.82 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 125.208 1.403 . . . . 0.0 113.601 166.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' B' ' 36' ' ' PHE . 1.5 mm? -55.73 -42.93 76.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.48 -1.387 . . . . 0.0 113.118 172.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.94 -36.43 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 124.642 1.177 . . . . 0.0 112.351 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -51.21 -45.51 61.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.267 -2.146 . . . . 0.0 113.798 166.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -84.78 7.89 19.1 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 52.97 35.82 20.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.419 2.688 . . . . 0.0 114.89 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.34 50.95 0.77 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.395 1.878 . . . . 0.0 110.228 173.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -16.51 63.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -70.88 -15.56 62.63 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.203 -1.561 . . . . 0.0 115.102 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.47 -52.78 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.639 -1.913 . . . . 0.0 110.133 166.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -53.99 -39.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.805 2.442 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.28 -18.57 1.61 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 129.985 3.314 . . . . 0.0 117.613 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -117.51 110.06 17.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.877 -1.764 . . . . 0.0 110.166 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -34.15 -62.31 0.33 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 130.357 3.463 . . . . 0.0 113.991 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.11 96.12 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.56 -33.01 74.65 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.499 -2.001 . . . . 0.0 114.074 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.14 -51.13 65.35 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.89 1.676 . . . . 0.0 111.84 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.42 -40.69 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 131.591 3.956 . . . . 0.0 113.511 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -50.6 70.68 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.513 1.149 . . . . 0.0 109.975 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.442 ' CZ ' HD23 ' B' ' 18' ' ' LEU . 8.6 t80 -58.04 -37.19 73.91 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.051 2.14 . . . . 0.0 114.451 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.86 -40.65 80.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.489 -2.007 . . . . 0.0 113.155 173.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -73.68 -18.81 60.97 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.953 -1.092 . . . . 0.0 113.836 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -72.79 -54.87 7.71 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.349 1.06 . . . . 0.0 113.03 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -12.3 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 120.058 -1.651 . . . . 0.0 112.828 -170.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.47 32.11 6.8 Favored Glycine 0 N--CA 1.43 -1.739 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.327 26.5 t -71.58 102.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.142 1.449 . . . . 0.0 110.342 167.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -106.71 130.02 54.51 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.458 1.503 . . . . 0.0 109.249 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.45 -89.9 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -79.83 27.45 0.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.293 -2.129 . . . . 0.0 113.601 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.21 -4.62 80.4 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.117 -1.614 . . . . 0.0 113.423 -154.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -101.77 151.28 22.24 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.682 1.193 . . . . 0.0 110.659 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -73.82 143.43 45.94 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.955 0.883 . . . . 0.0 110.677 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.97 126.42 37.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.342 -1.474 . . . . 0.0 113.304 -160.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -94.9 158.29 15.55 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.063 1.745 . . . . 0.0 112.602 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.64 -37.32 70.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.0 -46.09 68.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.522 -1.361 . . . . 0.0 113.256 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -71.14 -17.12 62.57 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.709 -1.245 . . . . 0.0 113.79 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.28 -47.42 67.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.773 1.749 . . . . 0.0 111.498 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -70.89 -23.2 62.24 Favored 'General case' 0 N--CA 1.429 -1.519 0 O-C-N 119.659 -1.901 . . . . 0.0 111.289 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.23 -40.3 59.2 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 118.973 -2.329 . . . . 0.0 116.143 166.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.306 22.5 pt -56.56 -43.75 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.452 -2.03 . . . . 0.0 115.322 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.96 -50.12 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -73.35 -55.56 6.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.563 -1.961 . . . . 0.0 116.031 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.13 18.27 2.63 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -165.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.48 150.12 12.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.912 1.685 . . . . 0.0 112.6 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 48.3 p -82.08 170.06 15.95 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.973 -1.704 . . . . 0.0 110.75 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -56.85 -46.44 81.76 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.982 -1.074 . . . . 0.0 112.167 169.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -34.52 78.48 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.02 -39.12 89.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.839 -1.163 . . . . 0.0 112.448 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.93 -46.03 54.82 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.043 -1.661 . . . . 0.0 111.129 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -33.33 65.97 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.406 1.082 . . . . 0.0 113.154 168.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -60.71 -44.92 95.99 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.431 -0.793 . . . . 0.0 112.439 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.04 -41.95 76.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.549 -1.345 . . . . 0.0 111.689 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.52 -44.21 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.539 1.935 . . . . 0.0 114.631 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.41 -33.98 77.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.76 -1.838 . . . . 0.0 115.138 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -92.17 -28.34 17.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.062 -1.649 . . . . 0.0 113.633 -174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.63 79.98 1.94 Allowed 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.831 1.652 . . . . 0.0 109.627 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -59.07 -72.29 0.1 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.096 1.358 . . . . 0.0 113.969 -170.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.6 -30.38 56.94 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.349 2.259 . . . . 0.0 110.675 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.9 -62.36 4.56 Favored Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 126.109 1.814 . . . . 0.0 112.279 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.317 0.7 OUTLIER -67.1 -41.4 86.34 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.282 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -36.14 -63.99 0.35 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 117.943 2.571 . . . . 0.0 117.943 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.89 -57.75 7.53 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-O 121.931 0.74 . . . . 0.0 112.93 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.7 m -64.98 -24.95 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.411 -2.817 . . . . 0.0 116.237 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -77.15 -21.73 53.65 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.474 -1.392 . . . . 0.0 112.763 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.07 -41.68 97.08 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.177 -1.577 . . . . 0.0 113.18 163.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.4 -49.1 58.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.866 1.666 . . . . 0.0 108.048 -173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.85 -41.93 92.51 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.58 -1.325 . . . . 0.0 113.19 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.63 -36.71 84.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.935 -1.728 . . . . 0.0 115.4 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -83.21 -18.06 40.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.1 -1.625 . . . . 0.0 114.659 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -89.51 -14.2 35.75 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 122.769 1.271 . . . . 0.0 108.875 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.429 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 170.175 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.7 tt -42.11 -53.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 -161.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -40.96 98.76 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 125.872 1.669 . . . . 0.0 113.814 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.6 m -55.03 -39.7 69.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.989 -2.32 . . . . 0.0 115.9 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.47 -48.85 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.751 -1.843 . . . . 0.0 111.474 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -42.38 -58.61 2.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 130.693 3.597 . . . . 0.0 115.248 170.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.53 -33.82 73.35 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.298 25.0 mt -66.34 -33.63 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 119.164 -2.21 . . . . 0.0 112.804 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.99 -43.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.498 -2.626 . . . . 0.0 114.951 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -67.39 -43.13 82.1 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 112.107 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -53.24 -46.05 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.023 2.129 . . . . 0.0 115.581 168.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.09 95.59 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 121.041 -1.037 . . . . 0.0 112.271 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -14.7 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.21 -52.54 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.974 -1.704 . . . . 0.0 111.465 167.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.58 -38.9 75.64 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.772 -1.205 . . . . 0.0 111.406 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -72.44 -30.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.998 1.319 . . . . 0.0 111.766 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -60.87 -39.24 88.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.253 1.421 . . . . 0.0 112.458 170.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 3.82 51.1 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.961 2.104 . . . . 0.0 116.137 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 t 59.0 34.02 23.35 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.167 -2.208 . . . . 0.0 116.528 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -101.47 40.76 1.26 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 128.696 2.798 . . . . 0.0 111.572 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.42 0.0 OUTLIER -62.42 -23.3 66.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 176.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -33.87 -54.36 0.47 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 119.373 3.101 . . . . 0.0 119.373 159.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.1 -38.12 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.069 -1.644 . . . . 0.0 111.279 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -69.68 -36.58 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.046 1.338 . . . . 0.0 110.919 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 29.4 tt0 -61.71 -3.24 1.02 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.989 2.916 . . . . 0.0 118.003 -169.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -147.5 133.69 19.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.193 -2.192 . . . . 0.0 110.389 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -51.73 15.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.1 -14.73 60.6 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 118.78 -2.45 . . . . 0.0 116.68 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -80.01 -41.22 26.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -60.85 -53.03 62.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.452 1.101 . . . . 0.0 113.95 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.88 -46.04 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.313 2.245 . . . . 0.0 115.29 173.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.14 64.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.468 -2.02 . . . . 0.0 114.268 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.78 -43.52 62.7 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.257 1.423 . . . . 0.0 109.097 173.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.84 -50.98 67.29 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.137 1.375 . . . . 0.0 113.724 172.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.96 -38.29 90.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.131 -1.605 . . . . 0.0 115.32 173.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -50.24 -58.66 5.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 pt -75.69 -19.55 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.48 46.98 4.46 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.13 127.44 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 119.145 1.473 . . . . 0.0 109.031 166.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.0 p -108.43 153.66 22.98 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -78.75 -102.01 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.813 -1.179 . . . . 0.0 113.107 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.03 57.98 1.53 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.296 -1.502 . . . . 0.0 108.334 -169.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.21 2.22 39.28 Favored Glycine 0 N--CA 1.429 -1.789 0 N-CA-C 117.349 1.7 . . . . 0.0 117.349 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -124.72 159.07 31.72 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 119.481 1.64 . . . . 0.0 108.139 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -71.07 152.9 43.03 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 123.688 0.795 . . . . 0.0 110.863 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.55 129.59 45.72 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.103 -0.998 . . . . 0.0 109.522 -158.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -100.85 176.31 5.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 125.497 1.519 . . . . 0.0 112.467 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -79.14 -42.26 26.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.887 -1.758 . . . . 0.0 112.797 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -64.25 -49.97 69.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.905 -1.122 . . . . 0.0 111.813 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.417 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 48.3 m -61.84 -23.23 66.13 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.06 -47.96 59.78 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.722 1.249 . . . . 0.0 109.378 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -32.05 73.13 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.57 -1.331 . . . . 0.0 112.174 -174.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.262 0.1 OUTLIER -63.39 -40.34 96.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 168.746 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.345 11.8 pt -58.72 -49.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.63 -25.18 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 m -80.39 -61.84 1.86 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 172.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.267 13.3 pt-20 -82.73 10.82 6.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.871 2.578 . . . . 0.0 114.96 -156.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.5 mt -44.58 146.05 0.79 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.61 1.964 . . . . 0.0 113.901 170.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 p -82.61 175.22 10.34 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.2 -40.61 71.05 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.789 -1.819 . . . . 0.0 108.764 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.64 -30.01 69.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.05 1.34 . . . . 0.0 114.482 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -70.57 -37.8 74.0 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 122.818 1.294 . . . . 0.0 110.701 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.83 -37.8 23.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.805 -1.809 . . . . 0.0 107.386 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -34.07 76.6 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.051 1.34 . . . . 0.0 109.574 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.52 -37.34 82.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 119.222 0.919 . . . . 0.0 112.219 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.13 -25.23 42.96 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.794 -1.191 . . . . 0.0 111.43 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.01 -43.42 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.083 -1.636 . . . . 0.0 111.028 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -65.51 -36.74 84.72 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.601 -1.312 . . . . 0.0 113.567 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -80.26 -30.12 38.42 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.837 -1.164 . . . . 0.0 113.141 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.46 78.85 1.75 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 121.7 2.046 . . . . 0.0 106.079 -165.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -57.19 -69.52 0.16 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.111 -0.993 . . . . 0.0 112.914 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.99 -46.44 84.56 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.946 -1.096 . . . . 0.0 112.891 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.56 -63.56 5.17 Favored Glycine 0 N--CA 1.431 -1.687 0 C-N-CA 125.491 1.52 . . . . 0.0 114.663 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -77.24 -30.11 54.38 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.284 -166.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.16 -52.97 48.58 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 120.568 1.531 . . . . 0.0 114.224 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.95 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 123.374 0.511 . . . . 0.0 113.72 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.96 -24.39 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.721 -2.046 . . . . 0.0 114.74 -169.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -74.19 -28.79 61.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.348 -1.47 . . . . 0.0 114.722 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -58.2 -40.9 82.78 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.652 2.478 . . . . 0.0 116.031 164.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.02 -58.66 4.14 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.46 -38.52 74.6 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.633 -1.292 . . . . 0.0 114.309 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.91 -58.74 4.4 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 119.257 0.935 . . . . 0.0 113.455 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.93 -28.7 70.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 23.2 m-30 -76.5 -1.23 26.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.245 -1.534 . . . . 0.0 112.307 -172.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.251 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.437 0 C-N-CA 125.074 1.349 . . . . 0.0 110.129 171.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.412 HG23 ' H ' ' B' ' 5' ' ' ILE . 13.7 tt -69.64 -36.57 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.714 2.406 . . . . 0.0 111.577 -161.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -40.86 73.35 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.229 -1.35 . . . . 0.0 113.775 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -75.47 -41.5 55.41 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 123.175 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.51 -41.61 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 120.203 -1.561 . . . . 0.0 114.286 170.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.81 -50.11 74.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.445 2.298 . . . . 0.0 112.746 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -70.32 -36.69 74.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -73.3 -25.16 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 118.963 -2.336 . . . . 0.0 114.309 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.2 mt -53.88 -59.84 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.92 -2.363 . . . . 0.0 112.759 168.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -60.75 -38.18 84.31 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.47 -43.59 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.996 1.718 . . . . 0.0 113.807 169.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.37 -34.88 65.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.835 -2.416 . . . . 0.0 112.822 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.309 52.2 p -62.17 -24.08 66.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 167.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.94 -49.61 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.286 1.435 . . . . 0.0 112.874 167.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.79 -41.84 87.62 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -37.34 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.55 -2.594 . . . . 0.0 114.466 169.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -50.23 -41.65 50.4 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.121 -2.237 . . . . 0.0 115.395 168.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -91.83 11.11 25.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.11 -1.619 . . . . 0.0 113.582 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.274 2.3 t 52.64 49.43 20.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 127.058 2.143 . . . . 0.0 115.039 -174.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -125.2 40.58 3.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.544 1.938 . . . . 0.0 108.937 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -15.84 62.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.549 -1.345 . . . . 0.0 113.303 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.15 -36.44 1.18 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 131.587 3.955 . . . . 0.0 116.947 162.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mt -68.01 -39.96 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-O 122.797 1.284 . . . . 0.0 111.432 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.51 -34.63 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.255 1.822 . . . . 0.0 113.495 -165.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 12.3 pt-20 -54.75 -20.26 8.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.554 3.539 . . . . 0.0 120.554 -172.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -117.51 133.46 55.94 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.442 -1.411 . . . . 0.0 107.911 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -49.61 -52.42 30.5 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 123.491 1.615 . . . . 0.0 113.396 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.03 90.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -169.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -56.33 -37.73 70.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.78 -51.4 65.0 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.607 1.163 . . . . 0.0 112.932 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.83 -36.1 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 129.085 2.954 . . . . 0.0 111.542 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.29 69.52 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.093 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.68 -41.52 66.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 165.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.04 -32.28 69.6 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.138 -2.226 . . . . 0.0 114.97 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.85 -38.67 61.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.061 -2.274 . . . . 0.0 111.788 171.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -64.21 -42.4 96.62 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.726 2.411 . . . . 0.0 113.779 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 pt -90.71 -23.27 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 111.955 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.58 53.86 4.19 Favored Glycine 0 N--CA 1.43 -1.705 0 CA-C-O 116.834 -2.092 . . . . 0.0 116.829 -173.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.82 125.71 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 1 CA-C-N 124.379 4.09 . . . . 0.0 105.763 164.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -107.14 158.12 17.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.581 -1.324 . . . . 0.0 110.586 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -73.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.469 -1.394 . . . . 0.0 110.984 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -94.89 48.68 1.2 Allowed 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.67 -1.894 . . . . 0.0 110.012 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.92 12.53 75.11 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 117.009 1.563 . . . . 0.0 117.009 -167.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -127.35 152.14 47.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.452 -1.616 . . . . 0.0 110.331 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -66.26 144.26 56.71 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 111.614 -168.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 128.98 34.91 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.18 1.467 . . . . 0.0 114.629 -168.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -98.21 158.71 15.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.687 1.595 . . . . 0.0 109.491 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -72.59 -36.02 68.05 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.778 -1.201 . . . . 0.0 113.712 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -72.28 -41.35 66.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.278 1.431 . . . . 0.0 113.569 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -78.68 -20.49 50.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.363 -1.461 . . . . 0.0 112.176 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.87 -47.78 81.88 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 124.236 1.969 . . . . 0.0 110.862 164.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.57 -28.41 64.87 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.714 -1.241 . . . . 0.0 112.617 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.31 14.7 ptpt -58.74 -51.72 68.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 159.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.266 14.0 pt -60.42 -42.0 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.993 -1.692 . . . . 0.0 114.128 -171.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 -31.45 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -74.38 -55.74 5.65 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.92 0.79 12.32 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -158.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.81 132.55 52.65 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.366 1.466 . . . . 0.0 113.679 172.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.5 p -79.87 171.96 14.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.936 -1.103 . . . . 0.0 110.11 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -58.2 -39.41 78.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.849 -1.157 . . . . 0.0 112.636 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.45 -37.84 88.92 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -71.11 -35.19 71.68 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.416 -2.052 . . . . 0.0 112.527 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.69 -41.34 68.77 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.791 -1.818 . . . . 0.0 110.806 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -54.68 -34.38 62.21 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 165.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.5 m -63.08 -48.7 77.53 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.633 0.73 . . . . 0.0 111.676 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.86 -43.65 92.29 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.681 -1.887 . . . . 0.0 114.021 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.19 -33.71 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.301 1.84 . . . . 0.0 114.921 172.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.57 -33.75 73.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.269 -1.519 . . . . 0.0 113.718 172.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -100.85 -29.49 12.21 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.62 -1.3 . . . . 0.0 112.608 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.33 80.15 1.92 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.93 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.9 -70.01 0.28 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.973 0.909 . . . . 0.0 112.391 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.71 -55.02 38.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.252 -1.53 . . . . 0.0 112.159 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.57 -67.21 0.74 Allowed Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 121.63 3.412 . . . . 0.0 121.63 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -31.78 44.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.692 -1.476 . . . . 0.0 109.612 -169.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -58.7 -48.26 81.75 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 120.04 1.291 . . . . 0.0 112.093 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -70.85 0.92 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 171.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.266 0.0 OUTLIER -66.99 -19.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 119.101 -2.411 . . . . 0.0 116.961 -172.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.18 -23.49 61.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 120.721 1.6 . . . . 0.0 113.839 170.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -61.4 -50.31 73.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.432 -2.043 . . . . 0.0 112.208 165.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -62.33 -54.64 37.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.481 1.512 . . . . 0.0 110.31 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -48.59 -42.49 34.06 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.758 1.623 . . . . 0.0 114.444 173.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.53 -41.99 65.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.959 -1.088 . . . . 0.0 110.505 -172.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -81.27 -18.07 47.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.443 -1.41 . . . . 0.0 113.532 -173.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.4 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 23.1 m-85 -89.96 -6.79 55.3 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 109.553 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.299 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 tt -37.34 -37.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 C-N-CA 129.978 3.311 . . . . 0.0 118.185 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -67.46 -43.94 79.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 100.0 m -70.46 -43.3 70.13 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.53 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.31 -39.91 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 121.448 1.931 . . . . 0.0 108.267 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.33 -37.58 88.0 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 120.746 3.609 . . . . 0.0 120.746 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.65 -31.94 70.33 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.746 1.612 . . . . 0.0 110.895 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.46 -24.02 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 120.392 -1.442 . . . . 0.0 114.813 171.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.49 -42.68 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-N 119.897 1.226 . . . . 0.0 112.535 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.8 p -64.29 -52.99 55.84 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.949 -1.094 . . . . 0.0 111.844 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -45.67 -50.37 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.729 2.412 . . . . 0.0 115.641 170.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.65 78.79 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.733 -2.479 . . . . 0.0 113.805 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 p -69.69 -18.94 63.59 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.42 -53.37 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.999 1.319 . . . . 0.0 110.944 168.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.39 -43.71 83.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.074 0.95 . . . . 0.0 111.863 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.6 mt -68.28 -32.16 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 121.359 -0.838 . . . . 0.0 113.142 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.45 78.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.021 -1.674 . . . . 0.0 113.106 169.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.51 7.84 36.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.539 1.536 . . . . 0.0 113.402 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 62.04 28.25 17.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -97.92 44.15 1.05 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 128.196 2.598 . . . . 0.0 112.421 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -65.7 -18.22 65.17 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -52.73 -30.34 31.98 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 168.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 mt -72.85 -49.15 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 125.316 1.447 . . . . 0.0 110.717 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.22 -43.93 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 125.958 1.703 . . . . 0.0 113.507 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.9 tm-20 -51.11 -17.4 0.64 Allowed 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 129.585 3.154 . . . . 0.0 118.782 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.78 123.11 39.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.215 -2.178 . . . . 0.0 110.307 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -40.4 -46.91 2.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 170.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -27.12 22.14 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 118.901 -2.374 . . . . 0.0 111.751 -167.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.71 -35.27 70.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.165 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -67.17 -50.42 61.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.611 1.164 . . . . 0.0 110.893 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -54.82 -41.48 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.95 2.1 . . . . 0.0 113.542 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.5 84.03 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 113.89 -3.124 . . . . 0.0 115.045 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -54.99 -37.57 66.73 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 128.01 2.524 . . . . 0.0 114.563 166.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.6 mt -54.29 -43.98 71.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.449 -2.657 . . . . 0.0 114.47 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -75.22 -14.79 60.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.39 -50.6 17.91 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.767 1.227 . . . . 0.0 113.673 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -12.04 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.264 -1.523 . . . . 0.0 112.76 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.9 30.68 7.38 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 126.787 2.137 . . . . 0.0 115.586 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.82 113.15 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 118.448 1.124 . . . . 0.0 110.078 166.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -108.7 160.76 15.69 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.343 1.857 . . . . 0.0 108.3 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.267 9.3 t60 -83.47 -97.59 0.05 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.341 -1.474 . . . . 0.0 112.468 170.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.14 51.51 2.06 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.705 -1.872 . . . . 0.0 110.508 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.77 3.11 54.07 Favored Glycine 0 N--CA 1.431 -1.687 0 O-C-N 119.822 -1.799 . . . . 0.0 117.53 -172.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -114.62 150.98 34.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.825 1.65 . . . . 0.0 109.22 -176.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.43 129.72 41.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.751 1.621 . . . . 0.0 113.08 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.98 126.5 31.12 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.297 1.039 . . . . 0.0 113.048 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.11 161.8 13.37 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.875 1.27 . . . . 0.0 112.839 -167.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.47 -39.96 73.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.997 -1.689 . . . . 0.0 113.157 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -77.18 -36.59 54.92 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 121.203 -0.935 . . . . 0.0 112.707 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -88.08 -13.93 40.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 123.814 0.845 . . . . 0.0 111.602 -174.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.01 -51.55 66.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.256 -1.528 . . . . 0.0 107.954 161.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -63.33 -30.53 71.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.126 -1.609 . . . . 0.0 114.381 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.11 -44.25 89.37 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.696 -1.877 . . . . 0.0 113.826 170.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.424 46.3 pt -53.62 -49.96 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 m -83.13 -32.31 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.903 1.811 . . . . 0.0 114.102 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -88.42 -53.57 4.61 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 9.9 pt-20 -88.1 17.65 4.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.028 2.131 . . . . 0.0 113.612 -168.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.16 152.32 4.41 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 169.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -82.98 168.75 16.71 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 112.069 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.37 -39.53 90.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.364 -1.46 . . . . 0.0 111.74 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.21 -37.5 87.48 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.93 -36.98 85.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.012 -1.68 . . . . 0.0 112.971 173.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -72.93 -44.86 60.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.41 1.484 . . . . 0.0 109.997 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -35.19 71.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.801 0.84 . . . . 0.0 113.196 169.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -63.8 -51.44 64.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.727 -1.233 . . . . 0.0 113.403 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.3 -48.41 79.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.647 -1.283 . . . . 0.0 112.122 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.59 -42.71 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.682 2.393 . . . . 0.0 113.132 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -58.61 -25.09 62.29 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.979 -1.7 . . . . 0.0 114.055 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -111.71 -39.14 4.67 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 122.101 2.228 . . . . 0.0 110.865 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -113.33 56.37 0.69 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.324 1.45 . . . . 0.0 109.978 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -47.39 -58.58 4.0 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.64 -44.07 52.24 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.621 -1.925 . . . . 0.0 111.756 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.66 -51.86 18.37 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 124.313 0.959 . . . . 0.0 111.374 -169.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.389 0.0 OUTLIER -73.33 -46.19 50.89 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 116.52 -1.705 . . . . 0.0 110.007 -175.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -45.51 -48.9 14.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 122.685 2.493 . . . . 0.0 116.741 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.94 2.66 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.515 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -65.68 -17.96 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 120.162 -1.787 . . . . 0.0 115.521 -171.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.22 -41.03 67.35 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.446 -1.409 . . . . 0.0 114.078 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -51.01 -41.54 59.84 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 165.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.9 -44.91 68.76 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.237 1.415 . . . . 0.0 108.799 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.71 -53.71 54.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.156 -1.59 . . . . 0.0 110.219 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -53.87 -42.99 69.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 ptp -82.69 -26.18 32.3 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.665 -173.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.1 m-30 -83.25 -17.16 43.64 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.733 -1.229 . . . . 0.0 110.756 -175.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.349 5.9 t . . . . . 0 N--CA 1.43 -1.447 0 C-N-CA 124.559 1.144 . . . . 0.0 111.475 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 p30 . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.39 -40.95 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.02 -39.31 66.03 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.005 2.122 . . . . 0.0 111.579 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -59.31 4.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.629 2.371 . . . . 0.0 111.802 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.45 -35.13 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.736 2.415 . . . . 0.0 112.058 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -59.4 -60.35 3.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 130.708 3.603 . . . . 0.0 111.551 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.36 -27.02 64.97 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.477 -1.389 . . . . 0.0 113.732 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.8 -39.03 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 113.011 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -53.38 -47.69 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 130.681 3.592 . . . . 0.0 114.342 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -72.23 -41.91 66.32 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.743 -1.223 . . . . 0.0 112.522 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 t -54.59 -42.0 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 O-C-N 119.715 -1.866 . . . . 0.0 113.75 167.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.43 63.25 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.08 -1.637 . . . . 0.0 115.069 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.4 p -82.72 -10.37 58.94 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.089 -2.882 . . . . 0.0 112.76 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 9.9 mm -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 CA-C-N 120.16 1.346 . . . . 0.0 109.384 163.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.26 -33.92 75.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.67 -1.269 . . . . 0.0 114.264 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 29.1 mt -77.69 -25.82 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.109 -1.619 . . . . 0.0 112.066 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -39.54 91.21 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.127 1.771 . . . . 0.0 110.2 170.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.6 8.74 23.84 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.38 -2.075 . . . . 0.0 114.037 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.331 8.1 t 62.47 32.26 16.74 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 175.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -111.99 42.11 1.82 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.284 2.233 . . . . 0.0 111.32 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -60.67 -20.82 61.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 175.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.64 -43.24 0.87 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 155.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.61 -42.24 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.105 -1.622 . . . . 0.0 111.679 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.3 -32.24 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.733 1.613 . . . . 0.0 113.0 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.07 -20.49 1.45 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 128.641 2.777 . . . . 0.0 117.926 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -133.56 137.05 45.33 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.922 -2.361 . . . . 0.0 112.543 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -53.8 12.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.19 1.796 . . . . 0.0 113.074 173.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.57 61.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.078 -2.889 . . . . 0.0 116.393 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.62 -43.43 47.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.077 -1.639 . . . . 0.0 110.171 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.08 -61.59 2.06 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.696 1.999 . . . . 0.0 114.67 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.04 -39.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.574 3.149 . . . . 0.0 114.609 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.11 91.88 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.008 -1.057 . . . . 0.0 112.966 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -33.17 54.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.746 1.618 . . . . 0.0 109.713 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.18 -43.61 78.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.958 -1.089 . . . . 0.0 113.094 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -76.39 -17.58 59.29 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.764 -1.835 . . . . 0.0 115.653 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.13 -66.75 0.5 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.467 -1.396 . . . . 0.0 111.544 165.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.279 0.2 OUTLIER -81.36 -7.82 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -170.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 53.38 3.37 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.81 68.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 120.336 2.068 . . . . 0.0 108.515 169.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.27 44.2 p -96.53 149.32 21.89 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.769 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.281 10.3 t60 -87.29 -80.02 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 117.335 -1.746 . . . . 0.0 108.75 -152.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.33 44.49 1.16 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.868 1.318 . . . . 0.0 109.539 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.03 1.5 48.83 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-O 116.405 -2.331 . . . . 0.0 116.167 -165.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -126.54 147.33 49.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 121.477 2.638 . . . . 0.0 105.479 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -56.69 135.37 55.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.235 1.017 . . . . 0.0 112.643 -166.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -91.09 131.01 36.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -162.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.67 164.38 11.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.642 -1.286 . . . . 0.0 111.506 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.09 -29.96 69.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.257 -2.152 . . . . 0.0 116.292 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -80.67 -19.22 45.69 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 125.901 2.762 . . . . 0.0 114.566 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -88.58 -32.87 17.91 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.898 -1.955 . . . . 0.0 107.759 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.19 -51.34 70.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 167.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -69.69 -28.25 65.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.695 -1.878 . . . . 0.0 113.204 -172.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -62.01 -45.31 94.15 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 165.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.284 25.4 pt -60.75 -42.95 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 121.113 1.779 . . . . 0.0 115.588 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.66 -44.7 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.467 1.127 . . . . 0.0 112.412 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -68.85 -60.12 2.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.367 -1.458 . . . . 0.0 113.869 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.78 8.79 13.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 115.643 -2.423 . . . . 0.0 115.328 -155.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.3 mt -38.04 141.66 0.2 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 129.461 3.104 . . . . 0.0 114.593 159.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.9 p -83.3 175.84 9.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.231 -1.543 . . . . 0.0 110.875 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.89 -41.66 96.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.358 -1.464 . . . . 0.0 111.565 166.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -57.99 -37.44 74.25 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.59 -29.1 66.55 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.263 1.506 . . . . 0.0 113.111 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -85.87 -35.3 20.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.224 1.41 . . . . 0.0 110.914 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -60.74 -41.21 94.94 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.608 -1.308 . . . . 0.0 111.785 167.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 96.5 m -55.35 -44.64 76.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.536 1.134 . . . . 0.0 113.109 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.91 -31.39 56.66 Favored 'General case' 0 N--CA 1.432 -1.369 0 O-C-N 120.72 -1.237 . . . . 0.0 111.806 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.05 -39.71 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.397 -2.065 . . . . 0.0 114.295 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -66.32 -43.82 85.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.608 -1.308 . . . . 0.0 113.227 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -87.96 -35.88 17.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.904 -1.123 . . . . 0.0 112.802 -168.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -123.64 60.69 1.08 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.124 1.44 . . . . 0.0 107.311 -163.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -54.77 -71.46 0.08 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.12 -2.238 . . . . 0.0 116.536 -157.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.92 -35.49 74.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.249 -1.532 . . . . 0.0 112.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.26 -54.95 17.73 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.783 1.659 . . . . 0.0 113.735 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -75.77 -38.45 58.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.962 -1.316 . . . . 0.0 110.23 -174.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -55.5 -46.44 76.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.131 -2.231 . . . . 0.0 115.085 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -65.64 3.25 Favored Glycine 0 N--CA 1.429 -1.777 0 O-C-N 120.7 -1.25 . . . . 0.0 114.608 166.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -66.1 -23.32 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.205 -1.762 . . . . 0.0 115.081 -170.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -81.66 -12.55 58.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.47 -1.394 . . . . 0.0 113.137 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.55 -44.81 81.34 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 118.925 -2.36 . . . . 0.0 110.61 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.06 -53.88 38.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.921 2.488 . . . . 0.0 108.818 -174.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.91 -34.22 74.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.294 1.838 . . . . 0.0 111.49 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -78.15 -35.51 48.79 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 119.394 0.997 . . . . 0.0 110.501 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 13.2 ptp -80.62 -21.77 41.21 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 123.331 1.538 . . . . 0.0 112.768 -172.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -88.18 6.14 38.04 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.513 -1.367 . . . . 0.0 113.075 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.43 -1.444 0 O-C-N 120.858 -1.152 . . . . 0.0 108.498 168.669 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 . . . . . 0 N--CA 1.43 -1.464 0 CA-C-O 120.956 0.407 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.17 -38.78 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.52 -46.03 63.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.36 1.864 . . . . 0.0 113.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.2 m -80.0 -37.3 34.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.909 -1.119 . . . . 0.0 112.238 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.51 -46.62 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-O 117.826 -1.083 . . . . 0.0 111.186 167.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -51.45 -41.41 60.85 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 118.808 2.892 . . . . 0.0 118.808 167.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.91 -35.9 64.69 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 121.622 2.01 . . . . 0.0 115.406 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.13 -33.8 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 171.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.43 -53.48 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 118.05 -2.906 . . . . 0.0 115.12 167.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 p -63.42 -49.53 73.37 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.311 -0.868 . . . . 0.0 111.48 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.03 -40.55 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.46 1.504 . . . . 0.0 111.574 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.84 69.48 Favored 'General case' 0 N--CA 1.43 -1.435 2 O-C-N 113.478 -5.764 . . . . 0.0 110.055 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.303 94.8 p -67.57 -11.08 57.26 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 175.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -70.25 -48.86 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 125.636 1.574 . . . . 0.0 109.292 160.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.85 -35.1 74.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.788 -1.82 . . . . 0.0 109.671 172.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.76 -32.56 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 122.016 2.189 . . . . 0.0 113.891 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -54.75 -43.37 72.66 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.132 1.787 . . . . 0.0 112.785 173.054 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.438 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.365 3.8 t 75.22 49.8 0.08 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 124.362 2.03 . . . . 0.0 112.277 -176.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -111.46 37.6 2.84 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 128.971 2.908 . . . . 0.0 106.236 164.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.21 -8.41 53.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.96 -44.56 1.72 Allowed 'General case' 0 N--CA 1.429 -1.507 1 C-N-CA 133.27 4.628 . . . . 0.0 117.011 156.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -66.66 -51.91 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.613 -1.929 . . . . 0.0 112.247 168.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -51.13 -39.11 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 23.6 tt0 -54.11 -25.21 20.84 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.39 3.076 . . . . 0.0 117.301 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -113.2 127.24 56.12 Favored 'General case' 0 N--CA 1.429 -1.523 0 O-C-N 119.456 -2.027 . . . . 0.0 112.76 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -44.14 -51.9 7.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.387 2.275 . . . . 0.0 114.618 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.48 27.19 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.663 -1.273 . . . . 0.0 113.308 -168.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.61 -26.6 64.52 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 120.091 -1.631 . . . . 0.0 110.738 173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.79 -53.15 23.36 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.045 1.748 . . . . 0.0 113.958 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.82 -38.89 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 128.334 2.654 . . . . 0.0 115.978 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.99 95.55 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.885 -1.76 . . . . 0.0 110.89 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.5 -31.2 69.31 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 120.491 -1.381 . . . . 0.0 113.816 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.78 -35.18 75.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 123.272 2.76 . . . . 0.0 114.514 171.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -75.84 -22.78 55.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.906 -1.746 . . . . 0.0 113.104 171.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.83 -50.7 16.22 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -83.95 -30.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.288 -2.133 . . . . 0.0 112.973 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.28 45.18 2.62 Favored Glycine 0 N--CA 1.431 -1.647 0 C-N-CA 125.546 1.545 . . . . 0.0 115.961 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.63 109.69 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.793 1.282 . . . . 0.0 108.741 164.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -100.78 152.72 20.16 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.914 -1.742 . . . . 0.0 107.441 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -82.62 -90.37 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.892 -1.755 . . . . 0.0 109.433 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.24 45.58 1.28 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.165 -1.584 . . . . 0.0 111.194 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.97 13.3 82.74 Favored Glycine 0 N--CA 1.43 -1.704 0 C-N-CA 117.378 -2.344 . . . . 0.0 114.823 -175.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -131.0 153.82 48.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 120.678 2.239 . . . . 0.0 111.058 172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -62.89 148.07 48.36 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 123.853 3.024 . . . . 0.0 115.161 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 125.32 36.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.375 -164.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -101.12 172.21 7.15 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.312 -166.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.19 -46.41 50.74 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -61.13 -44.55 97.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.354 1.062 . . . . 0.0 110.952 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -79.61 -20.71 46.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.76 -54.69 39.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 124.596 1.159 . . . . 0.0 109.956 162.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -62.37 -27.15 68.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -173.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.329 14.7 ptpt -66.13 -48.9 69.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.217 -0.927 . . . . 0.0 113.182 171.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.35 25.3 pt -58.55 -47.01 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.17 -34.99 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m -73.21 -57.81 3.76 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.291 3.0 pt-20 -81.25 9.16 7.41 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.544 -2.597 . . . . 0.0 117.326 -166.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -46.58 139.25 5.25 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.949 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.7 p -77.23 164.02 25.99 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.099 -1.626 . . . . 0.0 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -55.54 -38.64 69.55 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.413 -1.429 . . . . 0.0 113.069 174.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.29 -26.56 63.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.43 -37.2 71.48 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.987 -1.696 . . . . 0.0 108.507 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -72.65 -48.23 41.02 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 121.935 0.874 . . . . 0.0 110.485 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -60.71 -24.94 66.05 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -65.93 -45.86 80.32 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.061 -1.649 . . . . 0.0 110.682 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.21 -26.41 65.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.327 -1.483 . . . . 0.0 114.312 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.3 mm -71.96 -39.45 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 117.64 -1.624 . . . . 0.0 108.05 171.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.87 -31.59 56.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 114.018 -3.073 . . . . 0.0 119.078 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -75.13 -39.44 60.52 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.489 -2.007 . . . . 0.0 114.216 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -123.88 73.35 1.21 Allowed 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.817 -1.802 . . . . 0.0 110.35 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -55.64 -72.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -64.92 -53.25 49.41 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.174 -1.579 . . . . 0.0 110.968 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.18 -64.89 3.99 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-O 118.107 -1.385 . . . . 0.0 116.556 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -73.68 -16.31 61.21 Favored 'General case' 0 N--CA 1.43 -1.473 1 CA-C-N 124.534 4.167 . . . . 0.0 114.567 -171.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.21 -55.89 28.22 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 116.174 -2.211 . . . . 0.0 112.238 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.38 7.65 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 119.918 -1.739 . . . . 0.0 114.099 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.75 -16.8 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 O-C-N 116.432 -3.981 . . . . 0.0 112.667 -171.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -76.14 -28.34 57.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 121.23 1.832 . . . . 0.0 113.325 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -50.24 -45.92 54.4 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.662 1.574 . . . . 0.0 113.128 166.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.41 -61.31 1.97 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.56 1.944 . . . . 0.0 107.455 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -50.03 -49.08 52.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 124.691 3.405 . . . . 0.0 117.597 173.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.63 -47.77 78.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 120.505 1.502 . . . . 0.0 114.114 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 ptp -74.81 -20.24 59.86 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.486 -1.384 . . . . 0.0 114.658 -176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 15.1 m-85 -85.33 -8.9 58.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.148 -1.595 . . . . 0.0 109.906 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.428 0 CA-C-N 121.963 2.165 . . . . 0.0 108.167 166.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 tt -56.36 -39.71 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 124.604 1.162 . . . . 0.0 111.796 170.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -58.14 -33.82 69.59 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.837 1.255 . . . . 0.0 113.976 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -46.25 90.7 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.243 1.496 . . . . 0.0 113.013 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.58 -42.3 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.304 -1.498 . . . . 0.0 111.588 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -51.04 -53.52 32.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.726 3.21 . . . . 0.0 113.793 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.85 -49.88 67.49 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.436 3.017 . . . . 0.0 114.581 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.268 30.5 mt -75.87 -19.54 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 112.046 -2.343 . . . . 0.0 112.343 -169.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.64 -58.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.155 2.582 . . . . 0.0 111.121 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -68.09 -35.67 78.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.4 -41.81 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-O 124.801 2.239 . . . . 0.0 116.581 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -65.44 -27.9 68.85 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.189 -2.819 . . . . 0.0 117.21 171.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.295 13.3 p -80.08 -16.33 55.25 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.457 -2.027 . . . . 0.0 108.405 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 13.1 mm -58.77 -49.73 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-O 124.148 1.928 . . . . 0.0 113.333 165.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.81 -29.63 68.84 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 128.216 3.865 . . . . 0.0 118.568 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.284 13.5 mt -68.42 -39.09 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 1 O-C-N 115.898 -4.251 . . . . 0.0 114.118 167.795 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.9 68.3 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.835 -1.791 . . . . 0.0 114.393 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -81.52 -2.22 49.02 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.914 -1.741 . . . . 0.0 115.314 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.0 t 81.0 31.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -122.04 55.34 1.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-O 123.618 1.675 . . . . 0.0 107.569 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.274 0.0 OUTLIER -65.7 -17.57 64.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.805 170.022 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.92 -33.35 36.85 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.75 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 117.122 -3.486 . . . . 0.0 113.678 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.26 -37.74 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.964 1.706 . . . . 0.0 113.388 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -56.94 -14.32 3.45 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.182 3.03 . . . . 0.0 119.182 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.07 154.94 42.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.536 -1.978 . . . . 0.0 109.576 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -65.53 -49.74 67.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.22 36.68 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.869 -1.769 . . . . 0.0 112.539 -158.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.91 -33.8 70.97 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.39 -58.71 7.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.967 2.107 . . . . 0.0 112.71 169.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt -50.99 -43.95 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 130.664 3.585 . . . . 0.0 113.781 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.87 77.72 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.827 -1.171 . . . . 0.0 113.809 171.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.97 -27.88 54.92 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 112.782 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.76 -39.26 73.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.476 -0.765 . . . . 0.0 110.881 166.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -72.22 -30.67 65.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.218 -1.551 . . . . 0.0 112.372 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.4 -63.22 1.19 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 120.253 1.388 . . . . 0.0 112.24 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.79 -18.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.602 -169.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.47 50.94 3.43 Favored Glycine 0 N--CA 1.43 -1.747 0 O-C-N 120.949 -1.094 . . . . 0.0 112.633 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 t -79.73 84.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-O 124.356 2.027 . . . . 0.0 109.91 160.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -97.99 119.79 37.23 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.064 -1.647 . . . . 0.0 106.949 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.12 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.485 -1.384 . . . . 0.0 112.549 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.31 39.85 0.54 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 117.761 -3.087 . . . . 0.0 114.001 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.71 7.64 88.09 Favored Glycine 0 N--CA 1.43 -1.726 0 O-C-N 119.789 -1.819 . . . . 0.0 114.479 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -129.32 144.11 51.11 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.381 -1.658 . . . . 0.0 110.364 -168.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.315 61.8 mttp -60.87 144.92 51.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.1 124.68 41.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -164.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -94.59 164.26 13.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.051 1.341 . . . . 0.0 109.585 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.54 -39.95 77.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.32 -1.487 . . . . 0.0 113.289 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.09 -43.33 74.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.669 1.188 . . . . 0.0 112.797 171.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -70.51 -27.72 64.4 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.333 -1.479 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.29 -52.25 62.77 Favored 'General case' 0 N--CA 1.43 -1.472 1 C-N-CA 111.097 -4.241 . . . . 0.0 117.856 168.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . 0.263 33.5 ttt-85 -54.3 -23.34 14.76 Favored 'General case' 0 N--CA 1.43 -1.467 2 C-N-CA 109.871 -4.731 . . . . 0.0 121.889 179.849 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -78.17 -39.58 40.4 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.342 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.42 -35.7 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.231 1.832 . . . . 0.0 109.121 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.455 ' CG2' ' H ' ' B' ' 59' ' ' SER . 27.0 m -76.93 -39.11 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 113.703 -3.199 . . . . 0.0 114.492 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.455 ' H ' ' CG2' ' B' ' 58' ' ' VAL . 25.2 m -74.45 -35.63 63.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 113.97 -3.092 . . . . 0.0 113.749 -172.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.7 -5.68 55.67 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -165.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 129.05 22.37 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.103 1.361 . . . . 0.0 112.397 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -74.06 175.04 7.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.161 0.984 . . . . 0.0 110.836 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.2 -40.53 90.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.569 -1.957 . . . . 0.0 109.625 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.43 -42.59 96.4 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 175.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.16 -36.6 82.34 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.944 -1.098 . . . . 0.0 112.344 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.39 -37.97 31.23 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.934 -1.729 . . . . 0.0 110.012 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 120.233 1.379 . . . . 0.0 109.623 170.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.2 m -60.97 -45.48 94.58 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 124.202 1.954 . . . . 0.0 113.113 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.24 -33.91 74.29 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 112.989 -1.914 . . . . 0.0 115.558 169.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.79 -40.61 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 121.235 1.834 . . . . 0.0 110.498 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.2 -42.69 95.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.264 -2.148 . . . . 0.0 114.439 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.96 -50.28 8.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.817 0.818 . . . . 0.0 109.205 -177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -107.94 79.71 1.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.954 1.835 . . . . 0.0 110.86 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.69 -64.07 1.08 Allowed 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.307 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -73.78 -45.65 50.31 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.685 -1.259 . . . . 0.0 110.768 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.48 -61.34 6.01 Favored Glycine 0 N--CA 1.429 -1.783 0 C-N-CA 128.408 2.908 . . . . 0.0 109.956 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -39.26 25.66 Favored 'General case' 0 N--CA 1.428 -1.529 1 C-N-CA 110.166 -4.614 . . . . 0.0 117.33 -172.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.95 -41.01 77.5 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.441 1.473 . . . . 0.0 114.001 -171.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.26 -60.37 7.23 Favored Glycine 0 N--CA 1.431 -1.636 0 O-C-N 120.124 -1.61 . . . . 0.0 114.277 170.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.4 m -63.38 -26.92 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.233 -1.745 . . . . 0.0 114.029 -172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -74.73 -24.61 58.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.169 2.188 . . . . 0.0 114.083 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -60.33 -46.71 88.93 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 116.09 -2.244 . . . . 0.0 112.157 160.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -66.47 -55.42 15.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.058 0.943 . . . . 0.0 111.691 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -46.31 -52.88 11.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.956 1.702 . . . . 0.0 113.913 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.4 -48.98 77.33 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.501 1.521 . . . . 0.0 113.113 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -72.52 -26.37 61.73 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -82.81 -3.92 57.33 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.717 -1.239 . . . . 0.0 113.539 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.497 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 160.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 120.998 0.428 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 tt -41.32 -49.5 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 129.315 3.046 . . . . 0.0 117.541 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.45 -37.87 8.34 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 128.309 2.644 . . . . 0.0 115.242 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.6 m -89.22 -38.27 14.37 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.446 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.91 -49.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-O 123.055 1.407 . . . . 0.0 110.869 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -46.39 -58.09 4.05 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 128.592 2.757 . . . . 0.0 114.222 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.4 -20.52 60.72 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -76.53 -35.06 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.197 -2.189 . . . . 0.0 110.541 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -57.54 -52.64 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.717 2.007 . . . . 0.0 112.843 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.292 5.9 p -55.04 -50.35 69.3 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.425 -1.422 . . . . 0.0 114.394 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.56 -53.34 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.253 2.221 . . . . 0.0 115.914 162.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.63 74.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 111.011 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.27 52.5 p -71.33 -17.44 62.44 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 168.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.88 -46.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 119.053 -2.28 . . . . 0.0 110.632 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -30.92 71.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.594 -1.316 . . . . 0.0 112.048 176.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.254 91.7 mt -76.47 -28.32 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 120.14 -1.6 . . . . 0.0 112.735 173.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -60.93 -45.75 93.45 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 125.592 1.557 . . . . 0.0 111.105 167.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -90.08 4.76 49.36 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 66.97 51.74 0.94 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 123.164 1.459 . . . . 0.0 114.054 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.5 44.95 2.86 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.005 2.522 . . . . 0.0 112.604 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.458 0.0 OUTLIER -62.39 -24.39 67.35 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 169.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -49.66 -7.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 120.168 3.396 . . . . 0.0 120.168 158.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.72 -44.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 O-C-N 120.373 -1.454 . . . . 0.0 109.957 164.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.92 -31.22 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 125.865 1.666 . . . . 0.0 111.025 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 22.8 pt-20 -64.49 -14.97 59.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -121.95 128.41 51.48 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.516 1.126 . . . . 0.0 111.197 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -59.83 3.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.7 1.6 . . . . 0.0 114.479 172.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.15 40.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.57 -1.956 . . . . 0.0 116.14 -170.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -45.98 -40.05 9.84 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.085 1.754 . . . . 0.0 115.154 167.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -68.16 -48.88 64.11 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.64 1.576 . . . . 0.0 113.567 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.47 -40.13 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 128.307 2.643 . . . . 0.0 114.022 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.97 94.4 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.324 -2.11 . . . . 0.0 113.087 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.265 7.8 t80 -58.75 -41.78 87.31 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.76 2.424 . . . . 0.0 111.826 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.91 -51.1 70.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.486 -1.383 . . . . 0.0 113.238 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -20.17 59.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.91 -1.744 . . . . 0.0 115.475 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.19 -56.77 17.54 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.119 -1.613 . . . . 0.0 113.393 163.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.0 pt -87.64 -11.99 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.72 36.07 7.0 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.31 128.14 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 CA-C-N 120.56 2.18 . . . . 0.0 109.46 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -123.76 151.18 43.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.769 1.227 . . . . 0.0 110.192 -169.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.304 17.5 t60 -79.68 -88.09 0.07 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.7 -1.25 . . . . 0.0 114.251 169.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -99.15 57.22 1.06 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.425 -2.047 . . . . 0.0 108.476 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.75 0.55 41.72 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -110.85 162.82 14.42 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.251 -2.323 . . . . 0.0 108.473 -171.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.92 140.96 55.13 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 108.555 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.81 138.62 31.41 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.903 -1.748 . . . . 0.0 107.909 -158.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.11 166.95 10.14 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -166.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -76.04 -47.92 22.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 121.09 1.768 . . . . 0.0 114.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -65.58 -42.93 91.18 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -85.98 -12.21 51.0 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.916 -1.74 . . . . 0.0 114.978 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -55.49 -54.62 41.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.508 -1.995 . . . . 0.0 112.754 156.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -58.63 -35.51 72.62 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 120.795 -1.191 . . . . 0.0 113.347 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -61.59 -45.68 93.09 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.326 -1.484 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.325 39.7 pt -59.3 -44.57 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 120.067 -1.646 . . . . 0.0 113.312 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.94 -36.76 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -90.7 -43.35 10.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.256 7.0 pt-20 -81.22 9.63 6.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 122.153 2.251 . . . . 0.0 115.355 -167.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.36 151.33 10.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.763 2.025 . . . . 0.0 112.054 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 p -93.36 169.51 10.32 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 109.136 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -55.8 -35.7 66.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 172.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.97 -44.61 60.9 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 175.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -53.85 -35.31 61.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 120.255 1.389 . . . . 0.0 114.169 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -77.06 -55.96 5.0 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.817 1.647 . . . . 0.0 109.798 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.62 -43.83 0.92 Allowed 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 161.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 m -59.57 -40.51 87.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.658 -1.276 . . . . 0.0 113.432 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.5 -32.1 42.38 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.946 -1.721 . . . . 0.0 112.652 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.37 -41.64 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.3 -2.125 . . . . 0.0 113.04 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -62.5 -44.99 95.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.138 1.532 . . . . 0.0 115.138 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.35 -24.44 20.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.55 -1.344 . . . . 0.0 112.491 -172.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -129.97 71.32 1.45 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.325 -2.11 . . . . 0.0 107.226 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -61.38 -71.18 0.15 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -167.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.64 -34.29 77.52 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.828 1.251 . . . . 0.0 111.451 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.48 -66.14 2.58 Favored Glycine 0 N--CA 1.429 -1.787 0 C-N-CA 125.805 1.669 . . . . 0.0 112.267 -170.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.276 0.8 OUTLIER -71.44 -41.2 69.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 117.01 -1.471 . . . . 0.0 110.584 -173.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -48.1 -51.62 23.82 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 121.766 2.075 . . . . 0.0 116.021 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -64.37 4.02 Favored Glycine 0 N--CA 1.43 -1.757 0 O-C-N 119.976 -1.703 . . . . 0.0 114.425 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -16.98 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.492 -2.181 . . . . 0.0 114.633 -176.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -81.68 -15.1 55.56 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.228 -2.17 . . . . 0.0 112.918 176.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -69.77 -43.71 71.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 115.987 -2.285 . . . . 0.0 111.499 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -64.33 -61.45 2.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.902 2.081 . . . . 0.0 108.136 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.77 -35.24 61.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -64.87 0.76 Allowed 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 120.491 1.496 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 ptp -55.36 -22.67 20.49 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.4 m-30 -81.07 -8.15 59.71 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.721 -1.237 . . . . 0.0 112.355 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.431 -1.412 0 CA-C-O 123.278 1.513 . . . . 0.0 109.327 173.689 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 122.33 1.062 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.3 -43.27 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.071 2.548 . . . . 0.0 114.04 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -50.15 -45.38 53.17 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.004 2.122 . . . . 0.0 114.872 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -78.14 -42.66 31.07 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.549 0.739 . . . . 0.0 110.181 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.7 -42.06 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 119.31 -2.119 . . . . 0.0 115.079 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.361 15.5 ptt180 -72.54 -39.64 67.36 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.051 1.74 . . . . 0.0 115.523 -176.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.259 9.5 pt-20 -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.723 0.773 . . . . 0.0 111.962 167.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 mt -73.05 -31.53 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 O-C-N 118.543 -2.598 . . . . 0.0 113.38 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mt -50.67 -51.77 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.2 -2.812 . . . . 0.0 113.486 166.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -80.96 -23.77 38.57 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.926 -2.359 . . . . 0.0 110.428 -173.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.26 -37.17 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 126.748 2.019 . . . . 0.0 111.245 170.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -7.84 55.57 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.041 -2.912 . . . . 0.0 111.713 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.276 80.5 p -87.27 -25.92 23.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.062 169.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 mm -49.42 -52.53 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 122.545 1.164 . . . . 0.0 112.405 157.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.71 -46.93 88.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.71 -1.244 . . . . 0.0 114.174 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.66 -25.75 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 118.48 -2.638 . . . . 0.0 116.208 169.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -44.08 94.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.018 -2.301 . . . . 0.0 111.381 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.99 -1.5 39.94 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.713 2.005 . . . . 0.0 114.056 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 55.98 46.74 21.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.644 2.378 . . . . 0.0 115.375 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.62 56.83 0.67 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.914 1.685 . . . . 0.0 109.744 169.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.342 0.0 OUTLIER -72.38 -11.46 60.7 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -49.87 -35.03 21.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.375 2.27 . . . . 0.0 115.696 166.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -76.74 -39.07 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 O-C-N 120.582 -1.324 . . . . 0.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.2 -43.29 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.68 1.592 . . . . 0.0 111.701 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 21.5 tt0 -55.19 -24.62 27.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.803 3.241 . . . . 0.0 116.445 175.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.8 113.92 20.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.281 -1.512 . . . . 0.0 111.923 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -42.52 -53.73 4.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 128.921 2.888 . . . . 0.0 113.11 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.22 -16.45 60.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -85.12 -23.3 28.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.416 -2.053 . . . . 0.0 109.469 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -74.4 -49.39 22.8 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.989 1.716 . . . . 0.0 110.855 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.94 -41.01 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 130.111 3.364 . . . . 0.0 112.265 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.15 61.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.204 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.21 -33.83 67.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -41.39 91.88 Favored 'General case' 0 CA--C 1.488 -1.411 0 O-C-N 120.059 -1.65 . . . . 0.0 112.246 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.05 -31.28 69.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.874 -1.766 . . . . 0.0 113.603 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.66 -51.09 53.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.011 1.324 . . . . 0.0 112.76 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 22.2 pt -78.36 -23.68 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.79 31.39 11.27 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 116.609 -2.217 . . . . 0.0 115.772 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.21 124.87 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.963 3.381 . . . . 0.0 107.409 159.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.1 p -113.43 165.78 12.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.34 9.5 t60 -79.54 -98.86 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.868 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.3 60.56 0.83 Allowed 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.594 -1.941 . . . . 0.0 109.499 -176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.69 -5.99 59.67 Favored Glycine 0 N--CA 1.431 -1.66 0 O-C-N 120.452 -1.405 . . . . 0.0 114.348 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -103.99 144.57 31.37 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.461 1.905 . . . . 0.0 110.323 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.8 132.89 50.74 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 112.367 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.832 1.301 . . . . 0.0 111.873 -162.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -97.46 164.98 12.22 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.924 1.29 . . . . 0.0 111.909 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.33 -41.76 98.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.964 -1.71 . . . . 0.0 115.01 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -71.07 -41.77 70.27 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.032 -1.667 . . . . 0.0 113.372 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 41.3 m -77.19 -23.63 51.48 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.851 1.26 . . . . 0.0 113.557 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.25 -49.5 73.88 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.436 1.495 . . . . 0.0 110.715 165.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -66.22 -31.05 71.65 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -173.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -60.84 -53.1 61.51 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.815 -1.178 . . . . 0.0 113.363 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.333 31.3 pt -52.07 -47.38 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.899 -1.126 . . . . 0.0 113.967 -178.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.78 -48.97 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 65.4 m -74.06 -48.29 30.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.081 -1.637 . . . . 0.0 114.288 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.54 6.48 12.36 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -164.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.75 147.12 9.28 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.243 1.417 . . . . 0.0 112.934 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 70.8 p -83.3 171.88 13.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.788 -1.195 . . . . 0.0 110.258 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.61 -44.2 96.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.653 -1.279 . . . . 0.0 110.852 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.45 -26.23 65.4 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.64 -37.64 70.84 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.784 -1.822 . . . . 0.0 112.041 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -76.42 -41.95 45.91 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.438 -1.414 . . . . 0.0 110.304 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.26 62.17 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.442 1.497 . . . . 0.0 113.162 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.6 m -58.96 -40.88 86.06 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 121.758 0.789 . . . . 0.0 112.603 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.84 -44.16 67.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.424 -1.423 . . . . 0.0 111.858 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.39 -44.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.18 -1.575 . . . . 0.0 113.917 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.88 -42.95 94.87 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.929 2.091 . . . . 0.0 115.354 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -100.57 -42.4 6.57 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.741 -1.225 . . . . 0.0 113.151 -171.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -103.22 47.11 0.89 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.32 -2.112 . . . . 0.0 108.798 -169.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -44.41 -68.39 0.2 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 127.361 2.265 . . . . 0.0 114.816 -165.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.65 -58.94 6.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.174 2.19 . . . . 0.0 115.454 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.7 -40.97 51.89 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.861 -1.15 . . . . 0.0 114.493 -168.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.316 0.3 OUTLIER -73.06 -40.5 65.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.167 -1.396 . . . . 0.0 110.6 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.56 -54.72 3.81 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 122.748 2.522 . . . . 0.0 115.632 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.99 -64.73 3.82 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.893 -1.129 . . . . 0.0 115.214 171.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -68.61 -22.88 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.734 -2.627 . . . . 0.0 114.765 -171.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -75.28 -19.42 59.7 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.296 -2.128 . . . . 0.0 113.27 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -61.23 -44.33 97.44 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.794 -1.816 . . . . 0.0 111.357 162.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.53 -46.59 66.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.77 1.628 . . . . 0.0 109.804 -175.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.75 -25.97 61.38 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.886 -1.759 . . . . 0.0 113.011 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -82.99 -37.66 23.7 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.479 1.036 . . . . 0.0 110.237 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -75.82 -29.48 58.68 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.526 -1.359 . . . . 0.0 113.377 -170.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.8 m-85 -87.03 -1.63 58.02 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.905 -1.747 . . . . 0.0 111.14 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.287 6.5 t . . . . . 0 N--CA 1.431 -1.408 0 O-C-N 120.718 -1.239 . . . . 0.0 110.557 172.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 . . . . . 0 N--CA 1.43 -1.45 0 CA-C-O 122.881 1.324 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.65 -45.8 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.353 2.661 . . . . 0.0 115.195 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -46.8 69.92 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.877 2.471 . . . . 0.0 112.493 174.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -72.08 -25.62 61.84 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.961 -1.712 . . . . 0.0 113.122 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.53 -32.47 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.269 -2.145 . . . . 0.0 111.725 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -73.01 -47.81 41.79 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.802 2.441 . . . . 0.0 113.167 -172.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.41 -45.72 92.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.082 -1.636 . . . . 0.0 114.298 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.9 mt -66.94 -27.32 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.709 -1.869 . . . . 0.0 113.813 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -56.72 -52.41 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 119.817 -1.802 . . . . 0.0 111.601 167.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -59.69 -43.94 93.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.166 -1.584 . . . . 0.0 114.397 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.16 -44.35 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.875 2.47 . . . . 0.0 114.089 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.26 74.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.129 -2.232 . . . . 0.0 112.566 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 p -62.56 -29.88 70.9 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.53 -52.98 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.382 1.473 . . . . 0.0 112.222 168.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.32 -42.87 92.42 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.334 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.39 -33.86 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.035 -1.666 . . . . 0.0 114.037 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -53.96 -37.32 63.81 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.767 -1.833 . . . . 0.0 114.016 167.021 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -95.69 9.15 41.33 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.509 1.924 . . . . 0.0 114.052 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 59.62 36.44 22.61 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -108.66 54.05 0.67 Allowed 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.098 -2.251 . . . . 0.0 112.111 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.279 0.0 OUTLIER -71.18 -13.41 61.92 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.139 1.904 . . . . 0.0 116.139 178.369 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -44.44 -42.48 7.05 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.189 2.596 . . . . 0.0 116.598 164.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 mt -72.94 -42.54 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.681 -1.262 . . . . 0.0 110.594 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.26 -44.4 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 126.418 1.887 . . . . 0.0 112.849 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 5.5 pt-20 -58.29 -11.93 3.21 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 120.889 3.663 . . . . 0.0 120.889 -170.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -129.09 120.26 25.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.496 -1.377 . . . . 0.0 110.41 175.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HG3' ' H ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -46.78 -52.17 14.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.886 2.074 . . . . 0.0 114.792 177.411 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' H ' ' HG3' ' A' ' 30' ' ' ARG . . . -61.39 -46.59 89.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.91 -1.744 . . . . 0.0 114.983 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.97 -32.91 73.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -65.31 -48.85 71.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.169 2.187 . . . . 0.0 112.59 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -51.19 -42.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 128.425 2.69 . . . . 0.0 114.319 169.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.06 71.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.916 1.286 . . . . 0.0 109.344 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.04 -40.39 70.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.369 2.268 . . . . 0.0 115.809 168.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.95 -36.65 72.85 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.391 -2.068 . . . . 0.0 113.475 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.49 -1.381 . . . . 0.0 113.856 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.37 -54.56 9.08 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.293 1.037 . . . . 0.0 113.489 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -11.76 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 121.25 -0.906 . . . . 0.0 112.568 -171.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.26 25.28 12.73 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 170.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.55 112.15 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 119.903 1.852 . . . . 0.0 111.455 171.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -102.25 156.54 17.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.824 -1.172 . . . . 0.0 108.295 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.264 23.0 t60 -80.03 -96.07 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.57 51.92 1.19 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.39 1.567 . . . . 0.0 110.43 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.18 -6.23 80.25 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 126.594 2.045 . . . . 0.0 114.186 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -114.77 157.28 23.44 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.524 1.53 . . . . 0.0 113.492 -169.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -65.58 135.56 55.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.855 1.262 . . . . 0.0 111.687 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.24 129.76 34.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.406 1.574 . . . . 0.0 113.737 -165.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -96.66 155.3 16.83 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.855 2.062 . . . . 0.0 111.598 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.11 -39.11 86.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.457 -1.402 . . . . 0.0 114.328 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -69.18 -45.86 68.93 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.406 -1.434 . . . . 0.0 113.657 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m -76.38 -18.78 58.69 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.246 1.418 . . . . 0.0 113.386 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.03 -49.11 73.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.464 1.506 . . . . 0.0 111.446 165.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.73 -22.49 60.87 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.925 -1.734 . . . . 0.0 112.137 -170.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -66.47 -52.91 41.13 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 120.346 1.43 . . . . 0.0 114.225 163.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 41.3 pt -50.79 -47.26 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 126.22 1.808 . . . . 0.0 114.106 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.31 -49.21 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.444 -1.41 . . . . 0.0 114.505 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -84.03 -33.37 24.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -85.77 5.42 32.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 121.912 2.142 . . . . 0.0 116.108 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -58.86 148.26 30.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.928 -1.732 . . . . 0.0 113.249 -166.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.9 p -75.3 168.16 20.52 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.664 -1.898 . . . . 0.0 109.378 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.25 -43.75 95.84 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.218 -1.551 . . . . 0.0 111.45 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -61.84 -37.28 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.99 -41.8 95.08 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.904 1.282 . . . . 0.0 112.149 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -74.27 -41.09 61.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.493 -2.004 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -61.87 -31.18 71.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.07 1.348 . . . . 0.0 112.232 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.8 m -62.06 -44.53 96.49 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-O 121.97 0.891 . . . . 0.0 112.796 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.39 -45.35 84.37 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 111.357 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.57 -39.34 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.439 -1.413 . . . . 0.0 114.363 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -61.07 -37.94 84.44 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.763 -1.836 . . . . 0.0 115.516 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -103.47 -28.07 12.01 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -118.5 49.42 1.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.084 -1.635 . . . . 0.0 109.82 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -39.43 -69.4 0.13 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -174.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.86 -30.81 59.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.621 1.568 . . . . 0.0 112.336 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.84 -57.65 7.67 Favored Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 126.294 1.902 . . . . 0.0 111.084 -171.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.356 0.3 OUTLIER -70.52 -48.53 55.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 116.157 -1.878 . . . . 0.0 109.507 -178.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -42.42 -50.93 5.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 123.813 3.006 . . . . 0.0 118.002 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.8 -53.59 11.36 Favored Glycine 0 N--CA 1.43 -1.727 0 O-C-N 120.391 -1.443 . . . . 0.0 114.555 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.5 m -72.7 -19.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 119.16 -2.376 . . . . 0.0 112.497 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -74.74 -26.57 59.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.473 -1.392 . . . . 0.0 112.587 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -64.82 -33.9 77.1 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.812 -1.805 . . . . 0.0 111.522 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.65 -64.23 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.72 -22.2 4.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.1 -48.72 17.0 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.77 -1.206 . . . . 0.0 111.104 174.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.5 ptp -77.77 -18.23 56.67 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.051 -1.655 . . . . 0.0 113.669 -171.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -88.11 -5.53 58.4 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.393 1.477 . . . . 0.0 111.815 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.431 -1.423 0 O-C-N 121.067 -1.021 . . . . 0.0 111.077 174.82 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 123.019 1.39 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -46.53 -47.47 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.49 -42.63 96.73 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 125.589 1.556 . . . . 0.0 111.698 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -63.95 -42.16 97.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.44 -1.413 . . . . 0.0 114.218 170.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.12 -44.39 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.114 -2.242 . . . . 0.0 112.152 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -52.78 -55.26 24.18 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 130.975 3.71 . . . . 0.0 112.535 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.93 -34.32 77.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.593 -1.942 . . . . 0.0 114.817 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -70.29 -38.62 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 119.957 -1.714 . . . . 0.0 111.405 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -51.09 -45.8 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 127.513 2.325 . . . . 0.0 115.066 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -72.66 -38.17 67.72 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -55.96 -41.65 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 125.301 1.44 . . . . 0.0 114.659 161.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.92 85.16 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.669 -1.895 . . . . 0.0 112.392 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.6 p -70.56 -13.53 62.14 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.798 -1.814 . . . . 0.0 115.522 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -50.39 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.485 -1.384 . . . . 0.0 111.281 163.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mp -64.0 -36.19 83.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.127 -1.608 . . . . 0.0 112.74 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.47 -28.43 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.458 -1.401 . . . . 0.0 112.931 175.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -38.92 90.08 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.925 1.29 . . . . 0.0 112.157 167.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -92.18 8.29 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.209 -1.557 . . . . 0.0 115.112 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 66.98 34.12 5.38 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.546 1.538 . . . . 0.0 113.803 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -114.12 41.56 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.253 1.821 . . . . 0.0 112.344 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.435 0.0 OUTLIER -59.32 -24.46 63.34 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 170.635 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -35.53 -42.59 0.23 Allowed 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 157.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -74.57 -45.73 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.417 -1.427 . . . . 0.0 111.184 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.1 -33.59 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 127.242 2.217 . . . . 0.0 112.92 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 8.6 pt-20 -70.62 -14.33 62.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -119.56 117.83 29.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.344 1.057 . . . . 0.0 109.932 173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -50.62 -43.13 56.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.281 1.433 . . . . 0.0 112.316 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.6 63.46 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -79.27 -38.94 34.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.696 -1.877 . . . . 0.0 109.07 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -55.99 -53.52 55.86 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.407 1.483 . . . . 0.0 112.636 171.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -52.58 -44.97 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 127.736 2.414 . . . . 0.0 114.159 173.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.13 -30.33 70.31 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -79.47 -37.44 36.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.964 1.306 . . . . 0.0 108.978 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.49 -50.18 73.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.978 1.311 . . . . 0.0 111.867 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -59.29 -43.52 92.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.96 -60.17 3.18 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.33 1.052 . . . . 0.0 113.029 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.52 45.76 5.42 Favored Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.565 -1.959 . . . . 0.0 116.666 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.33 131.39 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 118.921 1.361 . . . . 0.0 110.001 163.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.5 p -131.32 145.67 51.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.796 -1.19 . . . . 0.0 113.29 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.304 33.2 t60 -70.47 -84.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.526 -1.984 . . . . 0.0 114.208 167.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -96.21 42.54 1.09 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.284 -1.51 . . . . 0.0 111.057 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 23.76 72.82 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 119.793 -1.817 . . . . 0.0 115.263 -169.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -133.64 167.36 20.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.46 143.04 53.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.187 -1.571 . . . . 0.0 112.818 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.96 125.34 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.084 0.945 . . . . 0.0 109.565 -168.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -101.66 167.72 9.93 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.192 1.397 . . . . 0.0 113.491 -167.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.93 -48.12 82.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.917 2.087 . . . . 0.0 113.778 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -70.2 -58.43 3.79 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.639 1.576 . . . . 0.0 112.774 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -59.89 -28.25 67.4 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.9 -2.375 . . . . 0.0 117.035 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -52.94 -58.29 7.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-O 124.268 1.985 . . . . 0.0 113.305 162.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -63.72 -14.73 54.95 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.007 -1.683 . . . . 0.0 114.442 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER -81.93 -50.96 8.57 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 116.635 -2.026 . . . . 0.0 109.031 170.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.288 28.9 pt -53.79 -50.54 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 120.227 -1.546 . . . . 0.0 114.633 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.24 -34.19 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -77.09 -50.73 12.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.27 6.2 pt-20 -87.12 10.67 15.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -161.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.33 142.82 7.03 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.3 -1.5 . . . . 0.0 113.393 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -84.65 175.36 9.27 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -175.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.6 -44.46 93.95 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.616 -1.303 . . . . 0.0 110.201 172.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.19 -46.72 79.29 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -61.97 -30.55 71.0 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.06 -37.1 34.61 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.573 -1.329 . . . . 0.0 109.021 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -64.39 -39.27 93.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.126 -1.608 . . . . 0.0 111.005 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -53.2 -47.72 68.68 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.295 1.438 . . . . 0.0 113.139 171.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.06 -35.98 72.12 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.335 -2.103 . . . . 0.0 113.037 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -41.81 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.882 -1.761 . . . . 0.0 114.12 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.68 -38.33 76.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.87 -20.9 20.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -138.51 64.63 1.49 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.523 -1.986 . . . . 0.0 107.148 -168.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.29 -65.81 0.59 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.558 -1.964 . . . . 0.0 114.663 -161.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -56.14 -57.08 13.72 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.05 1.74 . . . . 0.0 114.414 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.91 -56.73 22.46 Favored Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 125.849 1.69 . . . . 0.0 114.091 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . 0.428 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.3 8.2 t80 -76.94 -27.07 54.7 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 118.175 0.988 . . . . 0.0 111.761 -172.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -52.71 -60.22 3.52 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 122.598 2.454 . . . . 0.0 114.245 169.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -59.76 9.0 Favored Glycine 0 N--CA 1.431 -1.688 0 O-C-N 121.213 -0.929 . . . . 0.0 114.537 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' B' ' 77' ' ' PHE . 4.7 m -68.25 -21.41 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.357 -2.26 . . . . 0.0 114.901 -173.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.51 -14.13 57.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.402 -2.061 . . . . 0.0 113.444 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -68.15 -37.47 81.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.591 -2.568 . . . . 0.0 111.912 161.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.08 -64.4 0.88 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.128 2.171 . . . . 0.0 108.337 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.3 mt -49.61 -47.28 49.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.955 -1.716 . . . . 0.0 112.708 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.04 -37.97 84.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.291 17.3 ptp -74.96 -29.74 61.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 124.149 1.928 . . . . 0.0 111.062 -172.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.7 m-85 -83.36 -0.15 48.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.715 -1.241 . . . . 0.0 112.93 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.397 4.8 t . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 122.573 1.178 . . . . 0.0 110.981 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 123.158 1.456 . . . . 0.0 113.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.34 -45.39 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 130.588 3.555 . . . . 0.0 115.606 -170.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -64.92 -35.7 81.99 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -66.99 -39.6 87.2 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.565 1.146 . . . . 0.0 110.197 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.99 -46.09 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.497 -1.377 . . . . 0.0 112.775 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -49.96 -47.04 52.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.94 2.096 . . . . 0.0 114.784 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.05 -37.51 87.82 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 123.503 1.621 . . . . 0.0 113.751 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.37 -21.83 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 118.963 -2.335 . . . . 0.0 112.499 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.67 -46.91 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 128.178 2.591 . . . . 0.0 112.11 168.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' ILE . 17.1 p -66.62 -55.17 16.53 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.608 -1.308 . . . . 0.0 111.128 -178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -42.2 -48.08 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 165.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.56 56.95 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 116.623 -3.798 . . . . 0.0 111.42 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -82.04 -11.23 58.92 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.038 -1.664 . . . . 0.0 112.302 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 13' ' ' THR . 4.9 mm -68.24 -49.35 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 123.805 1.764 . . . . 0.0 107.868 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 5.8 mt -57.76 -42.3 83.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.541 -1.663 . . . . 0.0 112.534 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mt -71.66 -26.37 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.077 -2.264 . . . . 0.0 112.552 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -41.49 86.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.888 1.222 . . . . 0.0 110.616 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.41 -10.44 43.86 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t 70.9 46.39 0.49 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 126.584 1.953 . . . . 0.0 111.074 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -108.49 51.16 0.75 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.107 2.163 . . . . 0.0 106.753 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -73.98 -16.45 61.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.085 -1.635 . . . . 0.0 114.818 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -35.83 -49.64 0.62 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.289 3.036 . . . . 0.0 117.937 160.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.95 -45.19 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 124.183 0.993 . . . . 0.0 109.87 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.22 -39.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.716 1.606 . . . . 0.0 113.296 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.6 -17.75 63.19 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.8 3.24 . . . . 0.0 118.247 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -126.23 127.73 46.1 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.544 -1.972 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -46.52 -60.9 2.07 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.633 2.373 . . . . 0.0 114.942 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.3 -25.08 59.36 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.678 -1.264 . . . . 0.0 112.68 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.5 -26.85 55.71 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.981 -1.074 . . . . 0.0 110.291 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.25 -50.15 23.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.148 1.779 . . . . 0.0 112.316 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -55.9 -35.91 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.273 1.829 . . . . 0.0 114.976 172.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.21 90.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.806 1.289 . . . . 0.0 111.996 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 8.4 t80 -61.53 -32.73 72.79 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.136 2.174 . . . . 0.0 113.041 171.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.3 -34.95 75.48 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.792 -1.817 . . . . 0.0 112.332 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -73.73 -22.7 59.81 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.175 -1.578 . . . . 0.0 111.73 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -74.55 -63.69 1.19 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.393 1.877 . . . . 0.0 114.816 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -18.03 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.486 -1.384 . . . . 0.0 109.942 -175.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.97 26.41 11.53 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 157.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.68 120.93 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-O 122.254 1.026 . . . . 0.0 109.461 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.8 p -108.0 155.16 20.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.921 1.288 . . . . 0.0 110.213 -168.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.269 21.6 t60 -84.43 -89.82 0.1 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.06 -1.025 . . . . 0.0 111.774 165.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 40.9 mt-10 -91.66 42.31 1.1 Allowed 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 118.973 -2.329 . . . . 0.0 111.354 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.4 -3.55 86.08 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.585 -1.322 . . . . 0.0 112.55 -174.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -117.93 163.64 16.25 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.41 146.19 52.24 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.6 1.19 . . . . 0.0 112.785 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 128.64 34.66 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 123.254 1.502 . . . . 0.0 113.044 -171.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -91.89 155.62 18.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.631 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.69 -33.09 70.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -76.48 -46.79 25.3 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 117.337 -3.352 . . . . 0.0 108.936 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -68.7 -19.28 64.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.647 2.476 . . . . 0.0 116.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -68.9 -44.45 73.14 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.994 1.378 . . . . 0.0 112.105 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -66.03 -24.25 66.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.519 -1.363 . . . . 0.0 111.536 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.315 28.0 pttt -71.54 -44.8 63.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 169.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.368 9.6 pt -58.18 -45.49 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 m -79.85 -38.46 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -92.31 -40.68 10.8 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.1 2.01 14.08 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.889 2.132 . . . . 0.0 115.919 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.32 137.59 6.22 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.107 2.163 . . . . 0.0 115.619 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.1 p -76.99 171.63 14.49 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 122.257 1.027 . . . . 0.0 111.541 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -74.87 -27.95 60.46 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.059 -1.651 . . . . 0.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.14 -41.27 81.9 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.846 167.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.12 -30.13 68.33 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 123.582 2.901 . . . . 0.0 113.318 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.35 -48.51 67.28 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.746 -1.221 . . . . 0.0 110.73 168.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.16 -27.52 65.74 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 120.986 1.721 . . . . 0.0 111.092 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -72.37 -41.93 65.81 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.281 -1.512 . . . . 0.0 112.669 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.03 -32.67 70.93 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 121.609 2.004 . . . . 0.0 111.109 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.29 -44.56 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.836 1.654 . . . . 0.0 113.016 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.25 -48.72 78.13 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.139 -1.6 . . . . 0.0 115.091 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -73.59 -35.41 65.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -174.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.01 77.28 1.75 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.776 -1.828 . . . . 0.0 114.309 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -53.83 -70.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -71.29 -41.9 69.38 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.918 -1.114 . . . . 0.0 112.922 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.51 -62.08 6.67 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 117.727 1.851 . . . . 0.0 117.727 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.22 -27.86 62.8 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.333 2.566 . . . . 0.0 110.791 -172.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.07 -58.51 7.04 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.156 -2.215 . . . . 0.0 114.085 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.08 -66.82 2.31 Favored Glycine 0 N--CA 1.431 -1.695 0 N-CA-C 115.196 0.838 . . . . 0.0 115.196 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 0.0 OUTLIER -64.96 -28.15 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.689 -2.654 . . . . 0.0 116.9 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.65 -15.86 60.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.374 2.352 . . . . 0.0 112.973 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -67.88 -43.14 80.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.478 -2.639 . . . . 0.0 113.956 167.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.17 -58.85 6.62 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 109.684 -3.417 . . . . 0.0 112.134 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.67 -43.63 80.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.083 -2.26 . . . . 0.0 115.192 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.62 -43.81 88.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 113.025 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.2 ptp -79.87 -30.39 40.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.062 1.301 . . . . 0.0 114.133 -169.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -75.74 5.72 5.86 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.35 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.45 0 O-C-N 120.097 -1.627 . . . . 0.0 108.12 171.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 120.445 0.165 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tt -56.51 -37.18 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -59.49 -47.64 84.72 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.444 1.897 . . . . 0.0 112.428 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -67.27 -42.16 84.31 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.521 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.75 -50.17 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 124.515 1.126 . . . . 0.0 113.056 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.25 8.0 ttt180 -53.4 -43.33 67.81 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.881 2.472 . . . . 0.0 116.724 174.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.49 -43.09 95.23 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.945 -1.722 . . . . 0.0 112.959 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 mt -70.72 -30.25 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.581 -1.324 . . . . 0.0 112.306 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -57.96 -52.92 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 126.696 1.998 . . . . 0.0 112.251 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -69.61 -41.0 76.28 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.05 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.258 3.6 t -49.78 -41.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.504 1.921 . . . . 0.0 115.287 167.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -23.11 33.85 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.297 -2.127 . . . . 0.0 111.444 -172.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.7 p -72.24 -23.11 61.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.808 1.243 . . . . 0.0 114.025 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.52 -47.63 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 124.733 1.213 . . . . 0.0 109.857 166.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.42 -32.66 73.55 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.279 27.0 mt -70.01 -35.65 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 120.644 -1.285 . . . . 0.0 113.769 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -42.63 77.09 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.866 -1.771 . . . . 0.0 114.945 168.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -88.26 7.75 30.63 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t 64.69 42.48 4.68 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.557 -1.339 . . . . 0.0 114.089 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -126.5 45.05 2.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.398 1.571 . . . . 0.0 110.317 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.385 0.0 OUTLIER -65.36 -17.5 64.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.041 175.256 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.83 -15.65 43.65 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.69 -58.48 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.527 1.131 . . . . 0.0 108.824 164.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -55.15 -38.44 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 128.057 2.543 . . . . 0.0 113.604 -173.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.74 -11.91 14.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.646 3.179 . . . . 0.0 117.226 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -127.49 117.21 21.66 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.229 -1.545 . . . . 0.0 110.787 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -39.66 -49.21 2.22 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.082 2.553 . . . . 0.0 114.751 171.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.18 -32.8 24.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.968 -1.708 . . . . 0.0 111.745 -166.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -74.18 -29.13 61.62 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.716 0.77 . . . . 0.0 112.124 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -60.83 -54.05 49.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.473 1.509 . . . . 0.0 112.94 170.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.15 -39.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.724 2.81 . . . . 0.0 114.749 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.58 94.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.748 -1.845 . . . . 0.0 112.217 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.257 8.4 t80 -66.67 -34.41 77.8 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.914 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.24 -34.87 75.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.543 -1.973 . . . . 0.0 112.734 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.21 -40.72 74.39 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.358 -1.464 . . . . 0.0 109.72 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.42 -52.58 37.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.848 2.059 . . . . 0.0 114.912 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -86.3 -24.4 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.406 -1.434 . . . . 0.0 112.641 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 51.04 2.72 Favored Glycine 0 N--CA 1.431 -1.694 0 O-C-N 121.346 -0.846 . . . . 0.0 113.755 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.98 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 162.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.4 p -123.27 148.21 46.15 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.156 -1.383 . . . . 0.0 110.168 -169.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -75.08 -104.35 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.187 -0.946 . . . . 0.0 111.188 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.72 45.43 0.59 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.067 -2.27 . . . . 0.0 112.366 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.53 8.43 87.75 Favored Glycine 0 N--CA 1.43 -1.734 0 O-C-N 119.974 -1.704 . . . . 0.0 113.751 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -105.71 167.81 9.52 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.797 1.239 . . . . 0.0 113.038 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -76.93 120.91 22.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.778 -1.827 . . . . 0.0 110.373 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 121.94 21.97 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -173.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.29 165.51 12.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.794 -1.191 . . . . 0.0 110.313 -172.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.52 -40.95 73.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.209 -1.557 . . . . 0.0 114.013 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -64.82 -48.67 73.53 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.245 -0.909 . . . . 0.0 110.517 172.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 m -74.72 -22.09 59.02 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.85 -49.1 78.99 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.759 -2.463 . . . . 0.0 114.553 162.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -64.96 -31.95 73.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.216 -1.553 . . . . 0.0 113.114 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.363 32.4 pttt -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 168.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.281 18.3 pt -59.25 -50.74 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.983 -1.698 . . . . 0.0 113.614 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.63 -41.01 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -173.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -68.0 -58.44 4.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.302 7.5 pt-20 -79.54 11.84 2.85 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -162.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.89 135.65 41.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.845 -1.784 . . . . 0.0 111.916 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -76.13 173.89 10.75 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.476 -1.39 . . . . 0.0 111.063 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.932 -1.73 . . . . 0.0 110.929 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -84.21 -27.09 28.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.46 -33.78 54.58 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.204 -1.56 . . . . 0.0 112.705 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -67.94 -54.1 21.26 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.368 1.467 . . . . 0.0 109.933 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.81 -42.44 0.59 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.793 2.037 . . . . 0.0 114.88 163.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 45.3 m -69.82 -37.07 76.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 123.544 1.64 . . . . 0.0 113.012 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.38 -34.1 74.03 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.901 -1.124 . . . . 0.0 113.923 172.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.96 -43.17 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.866 -1.146 . . . . 0.0 111.91 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -55.81 -58.52 7.52 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.159 1.384 . . . . 0.0 113.123 172.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -16.59 34.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.82 52.64 1.98 Allowed 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 118.811 -2.43 . . . . 0.0 114.079 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -39.77 -69.23 0.13 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.078 3.362 . . . . 0.0 120.078 -176.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -56.2 -51.98 66.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.663 1.585 . . . . 0.0 113.027 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.47 -53.23 10.44 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.262 1.41 . . . . 0.0 111.644 -169.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.258 1.0 OUTLIER -74.59 -38.4 62.64 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 115.801 -2.047 . . . . 0.0 109.166 -171.038 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -57.45 -46.69 83.32 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 124.523 3.329 . . . . 0.0 114.907 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -58.36 11.89 Favored Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 121.685 2.039 . . . . 0.0 115.071 172.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.74 -23.58 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.987 -1.89 . . . . 0.0 114.095 -173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -76.98 -20.56 55.94 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.541 -1.974 . . . . 0.0 113.84 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -57.83 -50.92 71.66 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 122.595 2.452 . . . . 0.0 112.437 154.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . 0.448 ' HD1' ' H ' ' B' ' 83' ' ' TYR . 5.6 m-85 -64.32 -61.91 1.94 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -43.03 -54.82 4.1 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.82 -49.6 72.82 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.7 ptp -65.39 -33.81 76.84 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.95 0.06 33.02 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -172.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 122.589 1.185 . . . . 0.0 110.179 173.303 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -52.16 -51.23 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.687 2.395 . . . . 0.0 115.968 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -65.97 -31.16 71.91 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 m -66.1 -36.55 83.47 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.869 -1.144 . . . . 0.0 111.443 172.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.5 -38.29 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 121.032 -1.042 . . . . 0.0 109.41 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -68.5 -49.81 56.85 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.349 2.26 . . . . 0.0 111.419 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.61 -51.48 55.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.709 -2.041 . . . . 0.0 113.304 171.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -74.55 -26.59 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.028 -1.67 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.41 -52.22 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 118.651 -2.53 . . . . 0.0 114.391 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.252 16.0 p -55.71 -47.25 77.17 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 175.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.34 -43.46 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 126.196 1.798 . . . . 0.0 115.152 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.79 -38.38 64.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 118.391 -2.693 . . . . 0.0 112.751 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.5 p -63.46 -24.48 67.85 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 171.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.22 -50.69 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.379 0 CA-C-O 124.05 1.881 . . . . 0.0 113.505 164.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.43 -44.34 95.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 113.185 -1.825 . . . . 0.0 109.618 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.69 -38.1 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 118.219 -2.8 . . . . 0.0 113.299 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -36.98 5.76 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.342 2.792 . . . . 0.0 116.784 167.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -94.18 4.95 53.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.652 2.381 . . . . 0.0 115.978 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t 57.42 41.31 26.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.049 2.139 . . . . 0.0 114.904 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -104.82 51.67 0.76 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.412 1.885 . . . . 0.0 112.304 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -15.98 55.3 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.042 -1.661 . . . . 0.0 111.42 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.42 -20.08 6.82 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 158.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -83.55 -46.0 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.961 2.164 . . . . 0.0 106.493 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.97 -34.34 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 126.03 1.732 . . . . 0.0 111.968 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.6 pt-20 -58.95 -23.8 61.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.66 119.22 37.34 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.296 1.038 . . . . 0.0 112.658 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -44.83 -57.33 3.81 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.464 2.706 . . . . 0.0 114.713 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.61 67.24 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.824 -1.173 . . . . 0.0 114.112 -172.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -58.96 -32.94 70.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.86 -50.09 58.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.815 1.246 . . . . 0.0 113.35 170.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.51 -35.79 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 127.118 2.167 . . . . 0.0 114.029 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.39 65.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.765 1.745 . . . . 0.0 108.631 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -55.43 -42.71 74.57 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 113.064 -1.88 . . . . 0.0 115.356 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.86 -37.4 71.25 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.884 -1.135 . . . . 0.0 113.583 171.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -74.39 -32.66 62.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.629 -1.919 . . . . 0.0 114.217 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -63.95 -48.91 74.66 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.122 -1.611 . . . . 0.0 112.5 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 pt -87.5 -19.96 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.758 -1.214 . . . . 0.0 113.842 -176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.66 47.49 7.24 Favored Glycine 0 N--CA 1.431 -1.698 0 CA-C-O 117.653 -1.637 . . . . 0.0 116.876 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.25 128.21 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.619 3.71 . . . . 0.0 108.279 164.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -110.59 146.31 36.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.04 0.936 . . . . 0.0 111.924 -167.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -87.89 -81.04 0.25 Allowed 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.57 -1.331 . . . . 0.0 109.301 169.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -89.17 37.68 0.86 Allowed 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.475 -1.39 . . . . 0.0 114.448 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.59 -1.83 60.43 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 121.349 -0.844 . . . . 0.0 113.001 -166.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.253 48.4 mtt85 -119.96 164.97 15.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.395 -2.827 . . . . 0.0 111.624 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -78.29 147.65 34.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.321 -1.487 . . . . 0.0 110.289 -167.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.6 124.68 39.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.978 1.847 . . . . 0.0 113.076 -152.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -99.28 169.29 9.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.971 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -71.56 -43.82 65.65 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.089 -1.632 . . . . 0.0 114.694 -174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -65.45 -40.2 92.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 123.989 1.852 . . . . 0.0 115.82 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -77.59 -29.68 52.12 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.29 -50.82 72.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.291 1.043 . . . . 0.0 111.591 161.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -65.16 -28.84 69.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.159 -2.838 . . . . 0.0 116.15 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 28.7 pttt -69.96 -36.13 75.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 170.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 pt -64.44 -42.48 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.471 -1.393 . . . . 0.0 113.765 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -86.6 -40.27 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -79.71 -60.52 2.32 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.372 -1.455 . . . . 0.0 114.922 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -86.82 13.11 9.46 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 -164.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -45.98 158.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.2 p -83.87 170.91 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.67 -1.894 . . . . 0.0 107.937 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.36 -46.3 84.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.445 -1.409 . . . . 0.0 111.411 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -60.33 -35.55 75.91 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.68 -40.43 94.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.296 -1.503 . . . . 0.0 114.602 170.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -73.98 -43.87 56.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.372 1.469 . . . . 0.0 110.876 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -70.69 -9.69 57.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.686 1.594 . . . . 0.0 112.75 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 m -79.42 -61.66 1.93 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 174.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.21 -35.27 48.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.505 3.15 . . . . 0.0 119.505 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.83 -38.88 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 168.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.78 -38.71 80.2 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.053 -2.279 . . . . 0.0 116.253 170.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -87.58 -38.14 16.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.093 -1.63 . . . . 0.0 112.738 -172.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -113.0 65.34 0.64 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.226 1.41 . . . . 0.0 107.762 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.34 -71.21 0.07 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -75.35 -40.6 58.04 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 123.946 0.899 . . . . 0.0 112.655 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.44 94.27 Favored Glycine 0 N--CA 1.43 -1.719 0 O-C-N 120.2 -1.563 . . . . 0.0 116.918 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.408 0.1 OUTLIER -77.92 -30.71 50.67 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.591 -176.69 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.66 -58.5 3.39 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 122.801 2.546 . . . . 0.0 114.715 169.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.73 -57.56 7.09 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 122.653 1.141 . . . . 0.0 115.285 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -71.15 -22.64 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.741 -2.623 . . . . 0.0 114.455 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -69.47 -41.3 76.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.474 -2.016 . . . . 0.0 112.699 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.259 19.4 mmt180 -49.5 -41.97 42.27 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.495 1.952 . . . . 0.0 113.917 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -69.68 -55.51 9.77 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 128.171 2.588 . . . . 0.0 105.809 -172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.32 -36.9 79.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.867 -1.771 . . . . 0.0 115.017 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -59.27 4.47 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.106 -1.622 . . . . 0.0 109.919 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.254 7.5 ptp -57.31 -32.85 67.08 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.5 m-85 -78.35 -12.46 60.0 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.658 -1.277 . . . . 0.0 112.832 -174.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.43 -1.439 0 CA-C-O 122.407 1.099 . . . . 0.0 110.844 179.503 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 . . . . . 0 N--CA 1.43 -1.47 0 CA-C-O 123.175 1.464 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 tt -44.28 -55.25 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.152 3.019 . . . . 0.0 119.152 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -67.52 -31.43 71.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.504 1.121 . . . . 0.0 112.426 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 83.2 m -63.73 -47.83 79.5 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.026 -1.671 . . . . 0.0 114.285 167.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.82 -39.08 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 126.7 2.0 . . . . 0.0 110.596 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -57.28 -57.24 13.5 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 130.821 3.648 . . . . 0.0 112.688 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -69.55 -26.14 64.36 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.752 -2.468 . . . . 0.0 115.102 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -74.32 -26.03 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.944 -1.722 . . . . 0.0 111.342 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.04 -49.85 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.455 -2.028 . . . . 0.0 111.509 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . 0.31 2.1 p -69.7 -36.0 75.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 123.754 0.822 . . . . 0.0 112.829 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.15 -42.92 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.016 1.326 . . . . 0.0 114.531 165.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.5 63.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.004 -1.06 . . . . 0.0 108.896 -171.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -76.02 -14.17 60.22 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.23 -51.95 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 121.053 1.751 . . . . 0.0 112.238 160.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -28.88 69.1 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.994 -1.691 . . . . 0.0 112.892 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -76.96 -36.18 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.351 -2.093 . . . . 0.0 108.603 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -57.89 -42.48 84.73 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.617 1.567 . . . . 0.0 113.121 170.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.31 3.84 48.2 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 119.924 -1.735 . . . . 0.0 115.182 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t 69.42 37.58 1.98 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.869 -1.769 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -114.96 43.65 1.94 Allowed 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.398 2.279 . . . . 0.0 112.668 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.407 0.0 OUTLIER -57.38 -21.49 36.35 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 170.335 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -40.92 -38.4 0.95 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.62 3.193 . . . . 0.0 119.62 159.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -73.55 -40.23 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.614 -1.929 . . . . 0.0 110.393 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.74 -36.71 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 126.655 1.982 . . . . 0.0 112.329 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.89 -21.45 66.47 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.269 2.628 . . . . 0.0 116.027 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -112.32 126.11 54.9 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.001 -1.687 . . . . 0.0 111.687 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -51.48 -57.59 8.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.791 2.036 . . . . 0.0 113.987 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.48 -35.02 58.65 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 119.239 -2.163 . . . . 0.0 114.716 -170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -55.56 -41.92 73.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 168.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.62 -46.31 83.13 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.538 1.535 . . . . 0.0 112.383 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -57.38 -41.53 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.108 1.763 . . . . 0.0 113.984 170.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.57 91.67 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.408 -2.057 . . . . 0.0 114.536 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.304 20.5 t80 -57.31 -42.75 82.42 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.459 2.303 . . . . 0.0 112.487 165.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.91 -35.1 78.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.587 -1.946 . . . . 0.0 112.006 174.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -73.59 -29.54 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.679 -1.888 . . . . 0.0 114.26 170.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.37 -61.79 2.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 167.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -82.01 -14.63 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.296 -1.503 . . . . 0.0 112.319 -168.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.99 45.03 6.46 Favored Glycine 0 N--CA 1.431 -1.661 0 O-C-N 120.885 -1.134 . . . . 0.0 115.807 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -78.41 108.35 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 161.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -110.43 119.05 37.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.698 -1.252 . . . . 0.0 109.89 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.497 ' CD2' ' HG3' ' B' ' 45' ' ' GLU . 35.7 t60 -66.96 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.497 ' HG3' ' CD2' ' B' ' 44' ' ' HIS . 92.3 mt-10 -91.48 51.01 1.81 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.017 -2.927 . . . . 0.0 109.396 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 11.16 74.37 Favored Glycine 0 N--CA 1.43 -1.742 0 CA-C-O 116.297 -2.39 . . . . 0.0 114.274 -174.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -133.49 161.96 33.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.238 2.519 . . . . 0.0 106.59 -174.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.57 157.84 22.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.26 -1.525 . . . . 0.0 111.32 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.01 132.98 33.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.578 1.656 . . . . 0.0 111.563 -166.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -93.29 163.75 13.49 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.342 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -62.86 -47.58 82.73 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.618 1.567 . . . . 0.0 113.171 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -72.06 -42.14 66.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.646 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -74.45 -30.61 61.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 125.621 3.828 . . . . 0.0 112.68 -176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -46.65 -52.82 12.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 159.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -65.25 -29.9 70.73 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.63 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 33.2 pttt -67.75 -24.36 65.34 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 165.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.311 41.1 pt -68.53 -53.39 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 CA-C-N 123.679 2.945 . . . . 0.0 115.124 166.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.0 m -70.07 -35.87 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -75.07 -57.4 3.92 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 116.882 -3.637 . . . . 0.0 114.983 -171.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -78.67 13.41 1.66 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.665 -3.147 . . . . 0.0 118.184 -169.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.97 146.77 45.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.422 -2.049 . . . . 0.0 111.614 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -88.84 172.88 8.87 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 118.882 -2.386 . . . . 0.0 107.996 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -54.03 -46.33 71.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.325 -2.109 . . . . 0.0 114.145 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -67.76 -32.59 73.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -69.76 -35.03 74.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.175 -1.578 . . . . 0.0 112.278 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.81 -46.31 58.62 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.044 1.338 . . . . 0.0 109.485 175.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -56.18 -28.56 58.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 49.9 m -67.98 -34.85 77.33 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.706 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.39 -41.57 69.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.004 -1.685 . . . . 0.0 113.648 167.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.1 -46.01 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 118.753 -2.467 . . . . 0.0 115.945 171.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.58 -48.6 66.11 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -92.88 -18.7 22.49 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.934 1.243 . . . . 0.0 113.425 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.2 74.77 1.6 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.611 -1.306 . . . . 0.0 107.683 -170.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -69.82 0.25 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.576 1.15 . . . . 0.0 112.557 -172.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.42 -42.85 98.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.77 -1.832 . . . . 0.0 114.703 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.62 -56.9 12.63 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 117.005 -1.997 . . . . 0.0 113.333 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.289 0.8 OUTLIER -77.77 -37.32 49.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.115 2.458 . . . . 0.0 112.322 -171.476 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . 0.28 61.3 mt-10 -39.85 -59.95 1.09 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 163.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.84 -63.07 4.46 Favored Glycine 0 N--CA 1.43 -1.712 0 O-C-N 118.2 -2.813 . . . . 0.0 116.007 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.17 -24.77 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.02 -1.871 . . . . 0.0 114.292 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -81.01 -14.41 57.94 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.24 -2.163 . . . . 0.0 113.299 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -61.45 -55.54 30.17 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.007 -2.308 . . . . 0.0 111.439 158.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.56 -50.37 60.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.661 2.784 . . . . 0.0 116.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.42 -47.11 83.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.771 -3.081 . . . . 0.0 111.294 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -67.63 -37.84 83.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.001 -1.687 . . . . 0.0 113.49 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -78.15 -16.95 57.46 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.521 -1.987 . . . . 0.0 113.133 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -93.39 1.22 56.97 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.486 -2.009 . . . . 0.0 112.576 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.3 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 168.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.429 -1.477 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -47.07 -47.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.28 -18.95 65.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.321 1.849 . . . . 0.0 115.197 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.5 m -93.96 -34.78 12.93 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 110.029 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.12 -42.76 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 118.456 -2.653 . . . . 0.0 110.694 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -44.45 -61.68 1.45 Allowed 'General case' 0 N--CA 1.43 -1.457 1 C-N-CA 132.648 4.379 . . . . 0.0 112.803 173.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.1 -24.0 67.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 173.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -35.65 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 119.335 -2.103 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.71 -39.92 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 128.59 2.756 . . . . 0.0 114.492 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.52 -41.52 38.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.34 -43.62 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.645 1.978 . . . . 0.0 115.632 164.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.75 87.22 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.579 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.0 p -69.19 -16.08 63.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.44 -49.27 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 120.996 1.725 . . . . 0.0 110.793 170.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 -36.94 81.79 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.624 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -75.65 -26.85 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.594 -1.942 . . . . 0.0 112.073 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.94 98.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.322 1.449 . . . . 0.0 113.088 169.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -90.25 2.2 55.69 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 67.47 47.09 1.28 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.982 1.713 . . . . 0.0 113.948 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -123.22 34.7 5.05 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.158 2.183 . . . . 0.0 111.84 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.328 0.0 OUTLIER -57.68 -24.9 59.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 176.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -47.8 -32.32 5.9 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.32 -43.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 119.975 -1.703 . . . . 0.0 111.78 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -67.04 -36.63 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.332 2.253 . . . . 0.0 112.925 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 tm-20 -60.98 -20.98 63.07 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 129.088 2.955 . . . . 0.0 116.746 -168.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -130.73 128.12 40.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.202 1.001 . . . . 0.0 112.348 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -53.63 -45.51 70.19 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.38 63.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.448 -2.658 . . . . 0.0 116.991 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -78.54 -39.62 37.35 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.645 -1.285 . . . . 0.0 108.449 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.2 -54.7 43.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 126.361 1.865 . . . . 0.0 112.866 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.97 -41.8 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.393 2.277 . . . . 0.0 114.457 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.22 69.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -35.88 33.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 126.531 1.932 . . . . 0.0 109.596 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.99 -48.13 79.16 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.111 -1.618 . . . . 0.0 112.307 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -65.05 -16.42 63.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.405 -2.06 . . . . 0.0 116.52 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.47 -60.77 2.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.749 1.613 . . . . 0.0 113.351 167.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.51 -4.73 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -166.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.68 39.8 6.52 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 121.262 -0.899 . . . . 0.0 113.371 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -82.84 119.8 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 CA-C-N 119.996 1.898 . . . . 0.0 108.102 167.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -113.79 149.57 34.73 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.37 -1.456 . . . . 0.0 110.211 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -78.94 -87.07 0.06 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.51 -1.994 . . . . 0.0 113.978 166.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -91.6 50.96 1.79 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.035 -1.666 . . . . 0.0 110.369 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.98 19.04 28.8 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 -169.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -133.59 161.79 33.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -76.62 141.85 40.89 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.667 1.223 . . . . 0.0 111.461 -167.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -97.93 126.81 43.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.978 1.311 . . . . 0.0 108.94 -156.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -97.06 153.7 17.78 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.018 1.327 . . . . 0.0 111.036 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.27 -37.88 87.18 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -68.96 -54.15 16.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.008 1.323 . . . . 0.0 113.404 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -78.95 -10.56 59.86 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.178 -2.826 . . . . 0.0 115.083 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.31 -55.14 38.63 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.265 1.507 . . . . 0.0 111.125 159.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -61.33 -31.95 71.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.234 -0.916 . . . . 0.0 112.994 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.312 8.4 pttp -63.0 -49.83 73.12 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 119.651 1.114 . . . . 0.0 113.546 168.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.332 24.4 pt -53.79 -51.07 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 121.75 2.068 . . . . 0.0 114.716 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.05 -31.48 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 t -82.73 -43.53 16.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -86.82 3.94 43.17 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -159.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.7 mt -51.68 145.68 8.91 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 125.774 1.63 . . . . 0.0 113.024 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -87.41 177.07 7.22 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.71 -46.01 76.9 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.304 -2.122 . . . . 0.0 110.363 173.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.08 -39.51 63.38 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 170.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -68.37 -33.97 75.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.859 -1.776 . . . . 0.0 114.588 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.16 -31.61 30.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.528 -1.982 . . . . 0.0 110.549 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.99 85.53 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.575 -1.328 . . . . 0.0 110.034 171.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.8 m -59.0 -38.62 79.61 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.492 1.917 . . . . 0.0 113.995 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.02 -43.63 57.27 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 119.922 -1.736 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.4 -42.52 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.337 1.455 . . . . 0.0 113.533 172.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.71 -48.17 82.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.936 1.695 . . . . 0.0 114.634 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -86.97 -28.01 22.94 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.902 -1.749 . . . . 0.0 115.357 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -121.84 66.92 0.91 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -58.04 -68.09 0.28 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.392 1.477 . . . . 0.0 112.832 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.0 -36.18 79.56 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.086 2.154 . . . . 0.0 112.701 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -59.31 9.32 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 124.617 1.103 . . . . 0.0 115.382 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -84.24 -24.86 29.82 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 119.375 1.588 . . . . 0.0 110.358 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.69 -54.62 44.04 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.803 -2.435 . . . . 0.0 111.909 168.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.32 -70.12 1.09 Allowed Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.442 -1.411 . . . . 0.0 116.305 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.99 -26.13 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.303 -2.292 . . . . 0.0 115.75 -169.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -80.87 -15.72 55.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 119.239 0.927 . . . . 0.0 113.087 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -63.27 -46.89 84.71 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 115.291 -2.564 . . . . 0.0 111.727 161.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -61.49 -57.25 12.92 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.951 1.701 . . . . 0.0 109.031 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -30.85 64.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.443 -2.036 . . . . 0.0 116.219 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.38 -45.88 36.39 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.795 -1.816 . . . . 0.0 110.885 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -81.56 -18.46 44.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.027 -2.295 . . . . 0.0 113.114 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 14.4 m-30 -87.58 -3.32 58.99 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.055 1.342 . . . . 0.0 110.996 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.378 7.0 t . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 122.796 1.284 . . . . 0.0 112.186 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 5' ' ' ILE . 6.7 tt -89.04 -34.63 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.552 2.341 . . . . 0.0 110.065 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.62 -34.44 65.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.621 1.568 . . . . 0.0 112.422 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.2 m -69.01 -47.66 64.92 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.568 -2.582 . . . . 0.0 112.439 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.56 -35.63 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.731 -1.856 . . . . 0.0 114.879 166.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -69.69 -51.5 33.96 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.555 2.342 . . . . 0.0 111.448 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.16 -49.98 50.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.245 1.418 . . . . 0.0 114.47 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.5 -25.55 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 119.396 -2.065 . . . . 0.0 114.097 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.42 -55.13 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.975 -2.328 . . . . 0.0 112.052 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.0 -37.04 85.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.414 1.486 . . . . 0.0 113.833 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.46 -42.99 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 125.32 1.448 . . . . 0.0 112.823 171.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.65 70.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.088 -2.257 . . . . 0.0 113.063 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 99.2 p -67.87 -22.93 65.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.101 -2.249 . . . . 0.0 114.835 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -51.82 -54.06 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.061 1.345 . . . . 0.0 112.327 159.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.7 -42.99 84.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.48 -34.54 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.758 -1.839 . . . . 0.0 113.456 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -48.71 65.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.67 -1.894 . . . . 0.0 114.113 167.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -81.78 1.75 33.19 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.488 -1.383 . . . . 0.0 114.452 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t 57.7 41.79 24.76 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 126.742 2.017 . . . . 0.0 114.845 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.72 48.02 0.85 Allowed 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.158 2.583 . . . . 0.0 109.85 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.251 0.1 OUTLIER -71.57 -16.67 62.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.789 -1.819 . . . . 0.0 114.765 -178.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -54.56 -29.61 51.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.1 mt -71.79 -40.77 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.712 -1.867 . . . . 0.0 110.481 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.99 -42.61 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.279 1.832 . . . . 0.0 111.267 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.402 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 13.5 tm-20 -50.77 -19.77 1.06 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -130.44 122.82 28.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.339 -1.476 . . . . 0.0 109.079 173.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -56.36 -41.85 76.83 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.578 1.151 . . . . 0.0 113.388 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.86 -30.64 69.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.397 -2.064 . . . . 0.0 116.109 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -77.07 -33.43 57.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.08 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.13 -48.96 77.81 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.401 1.88 . . . . 0.0 112.799 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.42 -36.22 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.199 2.2 . . . . 0.0 112.83 171.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.45 69.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.99 1.316 . . . . 0.0 108.002 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 5.0 t80 -54.21 -42.98 70.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.038 2.135 . . . . 0.0 115.762 167.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.71 -38.21 80.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.894 -2.379 . . . . 0.0 113.929 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.24 -26.95 65.04 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.428 -2.045 . . . . 0.0 113.412 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.98 -57.75 5.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.026 1.33 . . . . 0.0 112.969 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.89 -19.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.802 -1.186 . . . . 0.0 112.838 -170.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.31 7.72 Favored Glycine 0 N--CA 1.429 -1.798 0 N-CA-C 115.87 1.108 . . . . 0.0 115.87 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.324 21.9 t -70.22 116.79 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 120.575 -1.544 . . . . 0.0 110.531 160.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -121.21 154.16 36.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.392 1.077 . . . . 0.0 110.541 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.29 9.3 t60 -86.86 -95.32 0.09 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.108 -0.995 . . . . 0.0 113.259 172.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.3 53.19 2.25 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.785 -1.822 . . . . 0.0 111.954 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 7.78 66.2 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 118.42 -2.675 . . . . 0.0 115.049 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -122.44 155.44 36.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.735 1.614 . . . . 0.0 111.281 -170.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -65.7 132.67 49.35 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.706 1.603 . . . . 0.0 111.377 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.91 130.23 34.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 123.092 1.425 . . . . 0.0 112.016 -162.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -96.12 158.3 15.5 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.116 1.366 . . . . 0.0 112.227 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -65.98 -40.12 90.96 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.665 -1.272 . . . . 0.0 113.794 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -76.38 -46.49 27.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.271 1.428 . . . . 0.0 113.166 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.7 m -79.39 -9.55 59.62 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.502 -1.374 . . . . 0.0 113.752 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -64.34 -51.66 62.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.574 -1.329 . . . . 0.0 109.771 159.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -66.41 -25.22 66.66 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.982 -1.699 . . . . 0.0 112.346 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.4 ' HZ1' ' CD ' ' B' ' 60' ' ' GLU 0.32 3.1 pttp -64.13 -52.07 60.9 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 167.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.296 23.6 pt -46.33 -44.11 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 121.73 2.059 . . . . 0.0 115.264 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.91 -40.94 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -74.95 -46.47 35.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.4 ' CD ' ' HZ1' ' B' ' 56' ' ' LYS . 12.6 pt-20 -75.64 9.1 2.44 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.347 1.859 . . . . 0.0 115.737 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 140.96 58.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.324 -1.485 . . . . 0.0 111.936 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 81.8 p -86.72 171.25 11.07 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.806 -1.184 . . . . 0.0 109.89 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.73 -38.62 91.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.415 -1.428 . . . . 0.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.43 -35.58 77.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 171.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -66.93 -37.93 85.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.968 -1.708 . . . . 0.0 111.862 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -77.56 -36.73 51.85 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.315 -1.491 . . . . 0.0 110.762 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -43.15 67.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.935 1.294 . . . . 0.0 111.799 162.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -64.34 -44.59 91.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -47.27 87.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.78 -1.2 . . . . 0.0 112.974 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.6 mt -55.8 -39.35 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.752 1.221 . . . . 0.0 112.941 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.0 -35.59 80.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.027 -1.671 . . . . 0.0 114.815 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -86.55 -40.99 14.69 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.105 -1.622 . . . . 0.0 111.758 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.22 70.26 0.88 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.898 1.679 . . . . 0.0 109.061 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -56.34 -69.69 0.14 Allowed 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.791 1.636 . . . . 0.0 112.287 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -58.08 -51.51 69.41 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.074 1.749 . . . . 0.0 112.862 177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.99 -53.03 24.87 Favored Glycine 0 N--CA 1.431 -1.691 0 O-C-N 120.87 -1.144 . . . . 0.0 115.645 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.28 5.5 t80 -73.02 -33.2 65.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 119.934 1.867 . . . . 0.0 110.456 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.66 -53.87 45.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 121.198 1.817 . . . . 0.0 114.061 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.81 10.49 Favored Glycine 0 N--CA 1.431 -1.658 0 O-C-N 119.596 -1.94 . . . . 0.0 116.067 171.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.08 -17.79 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 118.372 -2.84 . . . . 0.0 114.036 -170.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -87.28 -10.85 51.31 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.222 -1.549 . . . . 0.0 111.985 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -62.82 -46.15 89.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.892 -2.38 . . . . 0.0 110.043 157.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -69.17 -54.37 15.21 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.913 1.685 . . . . 0.0 110.484 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.0 mt -59.91 -42.63 94.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.153 -1.592 . . . . 0.0 111.398 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.24 -40.67 90.38 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.119 -1.613 . . . . 0.0 115.056 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.2 ptp -75.51 -14.78 60.43 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.38 -1.45 . . . . 0.0 114.436 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 21.8 m-85 -94.11 -4.46 49.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.089 1.356 . . . . 0.0 110.985 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.456 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 166.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 . . . . . 0 N--CA 1.429 -1.485 0 CA-C-O 123.399 1.571 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -58.89 -39.57 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 C-N-CA 127.166 2.186 . . . . 0.0 113.419 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -46.33 84.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.838 1.655 . . . . 0.0 111.734 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -67.83 -42.27 81.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.3 83.1 t -46.7 -47.41 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 162.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -67.43 -40.17 85.45 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -74.77 -26.26 59.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 118.091 -2.881 . . . . 0.0 114.882 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.65 -33.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.965 -1.709 . . . . 0.0 111.54 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.7 mt -57.36 -44.72 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 121.018 1.735 . . . . 0.0 113.957 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.281 7.0 p -65.6 -44.32 86.97 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.304 -0.873 . . . . 0.0 111.421 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 t -55.85 -42.1 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 125.984 1.713 . . . . 0.0 114.654 170.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.4 -29.57 37.74 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 117.477 -1.689 . . . . 0.0 107.148 -168.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.5 p -72.09 -13.91 61.71 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.594 -1.942 . . . . 0.0 114.486 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mm -60.58 -51.55 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 CA-C-N 121.065 1.757 . . . . 0.0 111.87 160.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.89 -33.02 74.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.557 -1.339 . . . . 0.0 112.628 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.282 37.1 mt -72.0 -31.93 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.614 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -57.83 -43.48 85.84 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.613 -1.304 . . . . 0.0 113.592 168.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.92 2.09 56.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.505 1.522 . . . . 0.0 114.094 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.373 1.7 t 54.18 51.33 14.66 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 118.939 2.94 . . . . 0.0 118.939 -171.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -115.41 51.33 0.93 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 168.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -18.27 64.78 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.744 2.018 . . . . 0.0 115.131 174.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -48.15 -32.0 6.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 162.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.22 -48.31 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.53 -2.606 . . . . 0.0 111.006 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.56 -43.93 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 C-N-CA 125.874 1.67 . . . . 0.0 111.28 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.16 -24.75 2.98 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -111.92 126.39 55.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.86 -1.775 . . . . 0.0 110.496 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -41.98 -53.27 3.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.169 2.588 . . . . 0.0 114.297 172.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.47 32.5 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.026 -2.296 . . . . 0.0 114.418 -172.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -68.85 -35.09 76.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 119.5 1.046 . . . . 0.0 112.34 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -58.61 -55.81 30.25 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.96 -29.51 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 O-C-N 119.104 -2.247 . . . . 0.0 116.179 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.56 61.68 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.273 -2.142 . . . . 0.0 112.979 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.303 2.0 t80 -71.38 -38.74 71.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.308 1.443 . . . . 0.0 111.548 170.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.3 -44.41 84.07 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.891 1.276 . . . . 0.0 112.516 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.33 -23.37 66.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.14 1.376 . . . . 0.0 113.907 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.0 -64.33 1.21 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 119.71 1.141 . . . . 0.0 112.767 172.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.281 0.1 OUTLIER -72.58 -17.02 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-N 121.43 1.923 . . . . 0.0 113.675 -173.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 38.1 5.54 Favored Glycine 0 N--CA 1.43 -1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 114.87 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.5 t -74.93 114.58 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.6 p -96.57 156.2 16.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.341 1.057 . . . . 0.0 109.85 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.286 25.6 t60 -77.82 -99.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 157.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -88.25 49.34 1.78 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.321 -2.112 . . . . 0.0 111.361 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.54 6.95 72.48 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -117.59 162.73 17.54 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.528 -0.983 . . . . 0.0 109.167 -170.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.91 140.13 53.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.955 -1.091 . . . . 0.0 111.441 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.28 127.24 40.03 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 -164.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -97.43 -173.07 2.55 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.071 -1.018 . . . . 0.0 111.674 -171.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -90.29 -43.72 10.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.307 -2.121 . . . . 0.0 111.193 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -60.67 -50.18 74.52 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-O 122.653 1.216 . . . . 0.0 114.136 175.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -83.38 -7.58 59.54 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.105 1.362 . . . . 0.0 113.893 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -71.84 -46.26 58.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.638 -1.914 . . . . 0.0 107.704 166.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -70.88 -16.84 62.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.577 -1.952 . . . . 0.0 110.982 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 12.3 ptpt -66.1 -48.12 71.95 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 162.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 36.5 pt -57.32 -44.73 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 124.639 1.175 . . . . 0.0 113.942 -174.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.78 -48.17 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 C-N-CA 124.445 1.098 . . . . 0.0 113.757 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -76.47 -54.07 7.23 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.895 -1.753 . . . . 0.0 113.576 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.322 5.9 pt-20 -82.75 12.93 4.2 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -165.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.1 mt -53.04 155.8 2.36 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.62 -1.3 . . . . 0.0 113.995 170.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.9 p -85.46 170.09 13.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.778 . . . . 0.0 110.945 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.66 -27.8 64.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.387 -2.071 . . . . 0.0 114.603 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.87 -34.42 76.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.076 -2.265 . . . . 0.0 114.561 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -65.09 -42.06 94.4 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.435 1.494 . . . . 0.0 112.345 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.05 -34.88 57.13 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.486 -1.384 . . . . 0.0 110.593 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -62.55 -31.82 72.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.305 -2.122 . . . . 0.0 112.401 166.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 m -67.63 -35.75 79.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 119.874 1.215 . . . . 0.0 114.133 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.63 -45.53 89.82 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.13 -1.606 . . . . 0.0 112.99 165.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.24 -38.33 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.153 1.381 . . . . 0.0 112.72 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.24 -44.48 71.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.114 -1.616 . . . . 0.0 114.382 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.84 -19.69 24.34 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 113.167 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.99 83.69 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.941 -1.724 . . . . 0.0 112.719 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.93 -59.2 2.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.758 -1.839 . . . . 0.0 114.514 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.53 -37.8 71.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.47 -1.394 . . . . 0.0 110.971 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.44 -55.36 15.57 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 125.286 1.422 . . . . 0.0 115.109 -174.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.332 0.0 OUTLIER -74.19 -44.37 53.6 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.381 -1.658 . . . . 0.0 109.181 -177.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.69 -42.06 92.12 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 120.782 1.628 . . . . 0.0 113.98 -170.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.02 -63.52 5.12 Favored Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 167.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -65.55 -23.14 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 118.817 -2.578 . . . . 0.0 115.676 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -76.28 -27.11 56.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.675 -2.516 . . . . 0.0 113.087 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.91 -43.29 96.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.022 1.283 . . . . 0.0 109.622 168.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.86 -59.69 4.99 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.624 1.969 . . . . 0.0 109.298 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.77 -40.68 76.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.167 -1.583 . . . . 0.0 113.836 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.15 -46.05 89.05 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.089 -2.257 . . . . 0.0 116.445 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -71.66 -20.23 61.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.63 -1.919 . . . . 0.0 113.511 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.51 -15.65 56.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.3 2.9 t . . . . . 0 N--CA 1.431 -1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 111.651 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 tt -52.91 -53.06 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -27.5 67.73 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.139 1.775 . . . . 0.0 113.608 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 120.028 1.285 . . . . 0.0 112.654 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.88 -50.31 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 122.722 2.51 . . . . 0.0 109.927 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' B' ' 73' ' ' PHE . 18.7 ttt-85 -39.02 -58.22 1.15 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.487 3.115 . . . . 0.0 116.771 171.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.28 -20.91 59.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.125 -2.234 . . . . 0.0 116.883 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 mt -80.4 -23.73 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.558 -1.964 . . . . 0.0 111.346 174.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.75 -48.26 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 119.366 -2.084 . . . . 0.0 113.261 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.9 p -58.54 -50.55 73.38 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.37 -37.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 119.442 3.127 . . . . 0.0 119.442 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.33 -36.33 81.23 Favored 'General case' 0 N--CA 1.431 -1.399 1 O-C-N 112.287 -6.508 . . . . 0.0 112.362 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -66.1 -23.48 66.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.65 -49.93 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.42 -2.05 . . . . 0.0 109.684 170.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.25 -38.98 88.63 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.932 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -66.4 -40.04 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 119.43 -2.044 . . . . 0.0 115.393 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -38.95 18.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 166.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -93.29 2.87 56.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.322 -2.111 . . . . 0.0 114.318 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t 71.75 44.35 0.5 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.21 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.14 50.86 1.5 Allowed 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.037 0.935 . . . . 0.0 109.86 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.341 0.1 OUTLIER -66.28 -10.93 47.21 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.31 -41.83 60.77 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.69 2.396 . . . . 0.0 117.206 165.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.64 -40.27 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.07 -2.268 . . . . 0.0 110.774 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.3 -40.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.651 1.98 . . . . 0.0 113.464 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.9 pt-20 -67.95 -13.59 62.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -164.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -124.58 127.93 48.13 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.623 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -47.84 -40.08 20.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 171.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.7 74.09 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.327 -2.108 . . . . 0.0 115.31 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -65.16 -32.27 73.88 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 122.265 1.031 . . . . 0.0 113.458 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.45 -53.5 34.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 113.902 173.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -52.25 -38.87 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 128.332 2.653 . . . . 0.0 115.315 166.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.55 93.63 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.131 -0.981 . . . . 0.0 110.617 173.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -41.14 96.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.149 1.38 . . . . 0.0 114.025 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.87 -42.78 68.97 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 112.922 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -72.56 -19.48 61.49 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.297 -1.502 . . . . 0.0 114.528 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -54.41 8.32 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.262 -2.149 . . . . 0.0 111.376 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 pt -80.07 -24.68 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-O 121.83 0.824 . . . . 0.0 112.02 -169.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.05 36.29 5.79 Favored Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.13 117.13 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-O 123.634 1.683 . . . . 0.0 110.067 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.0 p -99.56 152.67 19.77 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.844 2.058 . . . . 0.0 106.925 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.16 -99.88 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.833 -1.167 . . . . 0.0 112.769 159.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -85.0 46.1 1.24 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.971 -2.331 . . . . 0.0 111.935 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.74 -0.94 80.49 Favored Glycine 0 N--CA 1.43 -1.762 0 O-C-N 119.422 -2.048 . . . . 0.0 114.225 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -106.15 157.23 17.71 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.006 1.722 . . . . 0.0 110.08 -167.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.24 134.67 45.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.544 -0.722 . . . . 0.0 109.935 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 129.57 42.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -167.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -100.67 170.74 8.15 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.852 1.261 . . . . 0.0 109.205 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -73.33 -36.85 66.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.11 -0.994 . . . . 0.0 113.549 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -74.87 -42.48 57.81 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 123.587 1.66 . . . . 0.0 112.641 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -60.48 -36.17 77.66 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.542 -1.974 . . . . 0.0 114.885 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -56.28 -48.93 75.62 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-O 123.973 1.844 . . . . 0.0 113.356 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -75.44 -10.9 59.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.57 1.652 . . . . 0.0 112.906 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -82.74 -46.26 13.38 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 113.717 -3.193 . . . . 0.0 115.133 170.013 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.326 28.0 pt -53.12 -47.31 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.773 -2.454 . . . . 0.0 116.445 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 m -74.83 -34.32 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.75 -54.91 6.21 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -78.15 8.67 4.55 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -163.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.02 149.44 19.04 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.844 -1.785 . . . . 0.0 115.707 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -80.9 173.92 12.13 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.604 1.192 . . . . 0.0 111.277 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -67.79 -44.36 77.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.089 -1.632 . . . . 0.0 110.873 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.39 -39.49 76.19 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.236 1.814 . . . . 0.0 112.259 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -61.81 -39.95 93.53 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 122.502 1.144 . . . . 0.0 113.582 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -77.74 -37.74 48.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.132 -0.98 . . . . 0.0 111.325 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -64.51 -34.15 77.55 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.204 -1.56 . . . . 0.0 109.094 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.9 m -63.42 -45.49 90.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 122.153 2.252 . . . . 0.0 110.66 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.89 -37.66 87.79 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 123.767 0.827 . . . . 0.0 113.204 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.65 -43.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 118.894 0.77 . . . . 0.0 112.184 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.1 -47.9 72.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -69.28 -42.58 75.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 122.923 1.344 . . . . 0.0 113.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 9' ' ' ARG . 71.5 m-85 -115.74 60.58 0.71 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.08 -2.263 . . . . 0.0 110.687 -169.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -48.25 -71.77 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -63.28 -41.63 99.02 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 123.177 1.465 . . . . 0.0 113.487 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -55.19 20.42 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.266 1.412 . . . . 0.0 115.095 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.3 -19.36 50.65 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 119.79 1.795 . . . . 0.0 111.094 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.32 -58.02 10.35 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.704 1.593 . . . . 0.0 112.181 164.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.46 -67.21 2.33 Favored Glycine 0 N--CA 1.431 -1.695 0 CA-C-O 122.883 1.268 . . . . 0.0 115.005 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.22 -19.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 118.426 -2.808 . . . . 0.0 115.272 -165.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.44 -16.38 54.52 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.747 1.158 . . . . 0.0 111.698 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -60.38 -50.64 72.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 122.942 2.61 . . . . 0.0 113.434 157.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.04 -60.41 3.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.516 1.527 . . . . 0.0 109.48 -174.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.98 -49.53 20.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.303 1.441 . . . . 0.0 114.669 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.87 -50.45 70.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 124.151 0.907 . . . . 0.0 111.422 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 15.0 ptp -67.91 -24.81 65.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.757 -1.214 . . . . 0.0 114.21 -172.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.8 m-30 -78.93 -9.64 59.57 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.964 0.905 . . . . 0.0 113.226 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.433 0.2 OUTLIER . . . . . 0 N--CA 1.431 -1.406 0 CA-C-O 122.901 1.334 . . . . 0.0 111.594 177.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 6' ' ' ASP . 19.1 tt -65.27 -47.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 125.914 1.686 . . . . 0.0 112.502 -174.315 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.414 ' H ' HG22 ' A' ' 5' ' ' ILE . 72.3 m-20 -47.29 -45.89 24.46 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 170.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.9 m -79.63 -28.76 40.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.179 0.99 . . . . 0.0 111.748 177.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -64.92 -46.82 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.626 -1.921 . . . . 0.0 108.698 174.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -50.36 -45.74 55.34 Favored 'General case' 0 N--CA 1.43 -1.473 1 O-C-N 115.483 -4.511 . . . . 0.0 121.401 169.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -78.81 -20.61 49.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.657 -1.277 . . . . 0.0 110.811 -175.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.284 29.1 mt -79.24 -30.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.598 172.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.69 -45.87 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.42 2.288 . . . . 0.0 114.345 174.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 p -71.04 -35.76 72.1 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.0 111.263 -177.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.08 -38.62 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.185 1.394 . . . . 0.0 112.799 170.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.12 75.39 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.595 -1.941 . . . . 0.0 112.824 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -65.55 -21.25 66.59 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.214 -1.554 . . . . 0.0 114.932 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.53 -50.08 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.71 1.604 . . . . 0.0 112.987 167.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -41.63 74.97 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.476 -1.39 . . . . 0.0 114.416 173.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 24' ' ' GLU . 32.5 mt -69.61 -31.74 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.024 0.93 . . . . 0.0 111.258 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.256 0.8 OUTLIER -55.46 -42.18 73.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.974 -2.329 . . . . 0.0 113.225 168.535 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -90.97 1.19 57.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.52 -2.612 . . . . 0.0 115.083 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.258 7.7 t 59.16 49.11 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -113.73 45.68 1.41 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.365 2.266 . . . . 0.0 110.321 170.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.416 ' HB3' HG12 ' A' ' 19' ' ' ILE 0.278 1.0 OUTLIER -74.27 -14.1 60.86 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 124.374 2.035 . . . . 0.0 114.422 -173.674 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -54.16 -35.04 61.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 166.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.31 -40.4 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 124.386 2.041 . . . . 0.0 111.508 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.24 -33.04 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.114 2.566 . . . . 0.0 111.049 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 10.6 tm-20 -69.47 -14.18 62.74 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -124.05 121.0 34.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.001 -1.687 . . . . 0.0 110.886 176.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -30.4 -63.58 0.14 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.001 3.32 . . . . 0.0 116.894 169.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.51 -24.65 56.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.063 -1.648 . . . . 0.0 114.489 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -81.72 -27.69 33.77 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.649 -1.907 . . . . 0.0 108.25 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -64.52 -50.17 68.39 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.194 0.998 . . . . 0.0 112.842 171.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 mt -53.86 -39.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.922 2.489 . . . . 0.0 114.424 171.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.84 84.54 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.402 -1.436 . . . . 0.0 110.707 175.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.331 3.2 t80 -53.09 -47.14 68.77 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.312 1.845 . . . . 0.0 113.278 169.215 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.63 -41.17 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.606 1.562 . . . . 0.0 115.105 173.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -75.18 -22.38 58.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.335 -1.478 . . . . 0.0 114.252 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.49 -57.71 5.4 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 119.567 1.076 . . . . 0.0 108.507 173.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 pt -71.65 -17.97 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 123.846 0.859 . . . . 0.0 112.636 -173.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.5 46.41 5.22 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 125.5 1.524 . . . . 0.0 116.71 172.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.66 101.17 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.272 1.536 . . . . 0.0 109.619 173.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -97.63 120.61 38.32 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.028 0.918 . . . . 0.0 109.413 -177.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -65.3 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.32 -1.487 . . . . 0.0 114.716 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -87.56 42.61 1.05 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.018 -2.301 . . . . 0.0 110.605 -179.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.06 19.14 79.5 Favored Glycine 0 N--CA 1.43 -1.754 0 O-C-N 119.063 -2.273 . . . . 0.0 114.788 -166.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -118.77 148.31 42.95 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.523 -1.575 . . . . 0.0 107.349 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.54 128.8 36.68 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.438 -0.789 . . . . 0.0 111.197 170.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.87 128.5 34.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.802 1.287 . . . . 0.0 111.856 -150.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.95 153.23 18.99 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.406 -1.434 . . . . 0.0 110.886 -170.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.674 -1.891 . . . . 0.0 114.93 -176.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -71.39 -34.64 70.58 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.982 1.713 . . . . 0.0 113.52 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.1 m -84.22 -23.73 30.35 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.664 -1.272 . . . . 0.0 112.35 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.49 -52.49 61.08 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.957 1.703 . . . . 0.0 110.029 167.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -61.09 -30.37 70.31 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.918 -1.114 . . . . 0.0 112.589 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.339 12.3 ptpt -71.17 -41.37 70.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 169.219 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.342 13.8 pt -57.12 -45.04 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.889 -1.757 . . . . 0.0 114.498 173.356 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.08 -43.37 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -74.82 -50.1 18.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.041 -1.662 . . . . 0.0 115.102 -173.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.264 10.3 pt-20 -87.59 12.74 11.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 -168.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 mt -44.12 145.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.727 2.811 . . . . 0.0 115.087 178.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.8 p -84.57 164.52 18.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 109.433 -175.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.01 -39.53 74.9 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.205 -1.559 . . . . 0.0 111.95 173.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -68.38 -29.49 68.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.573 2.349 . . . . 0.0 114.138 176.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.87 -38.68 76.48 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.445 -2.035 . . . . 0.0 111.502 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.72 -54.15 7.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.699 2.0 . . . . 0.0 109.66 -177.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -44.59 -32.79 1.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.926 1.29 . . . . 0.0 114.327 164.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 m -77.41 -37.92 50.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.092 -2.255 . . . . 0.0 110.421 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.0 -30.31 50.04 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.681 -1.262 . . . . 0.0 110.041 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.81 -41.3 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.25 -0.907 . . . . 0.0 113.431 171.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -69.61 -39.22 77.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 175.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.2 -32.37 18.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.846 -1.784 . . . . 0.0 113.181 -172.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -122.2 63.09 0.94 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.663 1.585 . . . . 0.0 109.3 -172.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -57.01 -71.12 0.1 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -166.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.09 -42.3 89.52 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.117 1.767 . . . . 0.0 111.753 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -63.08 5.48 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 126.029 1.776 . . . . 0.0 115.137 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.292 3.0 t80 -72.68 -41.07 65.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 117.648 -1.168 . . . . 0.0 110.08 -171.759 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -46.72 -47.28 20.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.082 2.219 . . . . 0.0 115.999 171.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.55 -63.79 3.54 Favored Glycine 0 N--CA 1.429 -1.826 0 C-N-CA 124.045 0.831 . . . . 0.0 114.881 172.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.77 -22.61 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 118.709 -2.642 . . . . 0.0 113.688 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.43 -35.84 65.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.979 -1.701 . . . . 0.0 112.969 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -49.42 -44.21 45.16 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.723 2.056 . . . . 0.0 114.256 164.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -68.1 -52.01 39.9 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.205 1.002 . . . . 0.0 108.754 -176.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.74 -30.1 70.72 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.171 -2.83 . . . . 0.0 116.297 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.78 -64.37 0.87 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.617 -1.302 . . . . 0.0 108.614 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 ptp -57.29 -23.98 51.95 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.01 3.337 . . . . 0.0 120.01 -177.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.3 m-30 -89.07 3.53 51.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.203 1.365 . . . . 0.0 111.325 -174.294 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.429 -1.488 0 O-C-N 121.444 -0.785 . . . . 0.0 110.699 169.335 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.4 tt -41.13 -49.86 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.767 2.827 . . . . 0.0 115.358 170.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -56.65 -34.93 67.8 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.459 2.304 . . . . 0.0 113.567 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.53 -31.26 32.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 111.086 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.46 -42.73 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.489 -2.007 . . . . 0.0 111.698 170.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -52.85 -55.61 21.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 131.391 3.876 . . . . 0.0 114.099 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -67.47 -27.55 67.11 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.09 -27.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 120.365 -1.459 . . . . 0.0 113.112 173.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.07 -53.08 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 118.938 -2.351 . . . . 0.0 113.285 170.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -68.74 -39.74 80.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.037 0.935 . . . . 0.0 110.387 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.9 -36.4 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 167.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.32 -26.85 30.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.534 -1.979 . . . . 0.0 111.482 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.354 80.9 p -69.74 -22.73 63.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 168.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.58 -53.59 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-N 120.866 1.667 . . . . 0.0 112.175 162.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' B' ' 36' ' ' PHE . 7.3 mt -64.66 -31.69 73.02 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.833 -175.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.76 -27.41 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.581 1.552 . . . . 0.0 110.451 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -51.01 71.64 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.02 1.328 . . . . 0.0 112.126 163.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.441 -1.412 . . . . 0.0 112.906 177.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.335 1.9 t 91.7 35.64 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.211 2.205 . . . . 0.0 111.286 169.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -118.99 57.02 0.89 Allowed 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 127.856 2.463 . . . . 0.0 110.681 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.56 -16.56 56.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 176.001 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -19.49 -53.32 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 129.39 3.076 . . . . 0.0 119.277 156.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -77.62 -36.26 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 124.671 1.189 . . . . 0.0 112.631 -177.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 t -67.92 -41.31 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 126.426 1.89 . . . . 0.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -54.98 -28.99 55.97 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 129.787 3.235 . . . . 0.0 116.052 -178.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -122.27 118.75 29.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.37 -1.457 . . . . 0.0 111.156 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -46.14 68.93 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.81 -27.86 66.23 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.401 -2.062 . . . . 0.0 115.433 -178.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.33 -31.04 30.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -62.15 -50.09 73.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.277 1.431 . . . . 0.0 112.722 170.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.7 mt -55.44 -39.04 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 128.036 2.534 . . . . 0.0 114.356 172.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.76 73.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.764 -1.21 . . . . 0.0 108.882 176.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' B' ' 18' ' ' LEU . 6.3 t80 -57.35 -40.62 78.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.967 2.507 . . . . 0.0 110.76 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.67 -44.12 76.96 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 121.406 1.912 . . . . 0.0 114.119 172.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -68.66 -34.06 75.06 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.066 -1.646 . . . . 0.0 114.256 172.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.96 -49.46 70.24 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.463 -1.398 . . . . 0.0 114.74 173.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 pt -79.43 -25.44 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.032 -1.668 . . . . 0.0 110.685 -174.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.55 49.36 3.68 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -176.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.87 127.26 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 118.519 1.159 . . . . 0.0 109.848 157.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -118.31 149.48 41.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.48 1.912 . . . . 0.0 107.884 176.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.268 36.4 t60 -77.93 -103.07 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 111.528 174.163 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -87.66 51.51 2.24 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.248 -1.532 . . . . 0.0 109.94 -174.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.04 5.33 58.19 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.448 -1.407 . . . . 0.0 115.192 -169.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -123.95 171.41 9.74 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 119.673 1.737 . . . . 0.0 109.452 -173.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -72.98 136.82 45.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.39 124.28 34.82 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.491 -1.38 . . . . 0.0 111.755 -168.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.78 164.84 11.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.749 1.62 . . . . 0.0 111.726 -167.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.59 -43.29 69.68 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.03 -1.669 . . . . 0.0 112.374 -177.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -73.94 -38.49 64.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.94 -1.1 . . . . 0.0 113.256 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -76.3 -23.09 54.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.499 -1.375 . . . . 0.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -48.2 77.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.975 1.369 . . . . 0.0 110.803 168.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -66.4 -30.06 70.35 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.77 -1.206 . . . . 0.0 114.16 -177.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.335 0.1 OUTLIER -63.24 -52.15 63.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 164.741 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 28.8 pt -53.19 -47.75 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 120.756 1.616 . . . . 0.0 115.088 179.392 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.19 -28.91 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.678 -1.889 . . . . 0.0 115.809 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -90.39 -51.29 5.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.139 -1.6 . . . . 0.0 115.227 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.366 8.0 pt-20 -84.2 10.93 9.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -164.552 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.17 154.92 2.85 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.822 -1.173 . . . . 0.0 113.435 166.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -94.07 173.71 7.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.092 -1.63 . . . . 0.0 109.159 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.15 -44.72 94.77 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.289 -1.507 . . . . 0.0 111.966 172.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -56.23 -45.35 80.01 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 173.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.8 -35.19 79.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.607 1.563 . . . . 0.0 112.693 177.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -75.05 -46.51 34.38 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.467 -1.396 . . . . 0.0 108.736 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -34.69 58.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 167.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 73.0 m -61.77 -40.13 94.1 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -77.38 -39.53 46.96 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.531 -1.356 . . . . 0.0 112.595 175.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 73.8 mt -52.36 -42.07 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.042 1.337 . . . . 0.0 113.157 171.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -66.39 -42.21 88.24 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -87.64 -36.08 17.67 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.029 -1.669 . . . . 0.0 112.072 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.47 60.98 0.75 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.99 1.716 . . . . 0.0 110.072 -171.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -52.45 -64.98 0.64 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.024 1.393 . . . . 0.0 114.177 -173.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -39.05 89.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.143 -1.598 . . . . 0.0 114.358 -179.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.59 15.16 Favored Glycine 0 N--CA 1.43 -1.748 0 O-C-N 121.155 -0.966 . . . . 0.0 114.172 -175.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.47 -24.31 61.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.515 1.158 . . . . 0.0 108.979 -174.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.82 -58.1 9.61 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 118.941 -2.35 . . . . 0.0 112.982 169.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.36 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.672 0 O-C-N 120.64 -1.288 . . . . 0.0 113.517 174.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -66.22 -26.26 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.581 -2.129 . . . . 0.0 115.659 -172.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.54 -11.83 59.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.099 2.682 . . . . 0.0 112.968 177.225 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -64.28 -49.86 70.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.474 -2.641 . . . . 0.0 113.071 158.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.77 -61.57 2.21 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.624 2.37 . . . . 0.0 107.945 -171.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 88.2 mt -47.44 -38.57 13.77 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -74.93 -36.48 62.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.178 -1.577 . . . . 0.0 111.344 -175.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 16.0 ptp -78.18 -28.96 48.3 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.356 -175.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.47 -2.74 57.73 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.803 -1.186 . . . . 0.0 111.371 -175.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.344 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 170.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 tt -58.49 -52.58 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 127.415 2.286 . . . . 0.0 112.453 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.82 -34.88 13.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.782 2.433 . . . . 0.0 114.146 176.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 m -84.27 -47.17 11.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.662 -2.524 . . . . 0.0 110.668 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -37.78 -52.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.61 -1.932 . . . . 0.0 115.773 161.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -51.45 -42.55 61.64 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 129.085 2.954 . . . . 0.0 116.603 176.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.72 -45.37 37.06 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.631 -1.918 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.479 ' H ' HG13 ' A' ' 11' ' ' ILE . 3.7 mt -59.95 -24.8 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 169.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.34 -48.0 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 117.305 -3.372 . . . . 0.0 112.628 172.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -63.92 -54.89 27.64 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.228 -1.545 . . . . 0.0 112.427 175.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.6 -35.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 118.749 2.87 . . . . 0.0 118.749 163.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.57 44.33 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 121.573 -0.704 . . . . 0.0 110.958 178.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.261 85.4 p -71.37 -6.29 38.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.2 -2.188 . . . . 0.0 115.276 172.311 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.83 -55.98 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 118.93 -2.356 . . . . 0.0 107.641 167.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.58 -26.52 61.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 176.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -84.23 -25.92 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.472 -0.767 . . . . 0.0 111.838 174.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -43.27 76.36 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 118.938 -2.351 . . . . 0.0 113.596 163.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -83.66 -27.26 29.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 86.34 50.97 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.336 2.254 . . . . 0.0 110.115 -169.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -129.77 40.95 3.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.091 1.756 . . . . 0.0 107.15 177.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -76.51 -5.17 46.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.706 2.003 . . . . 0.0 113.307 177.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.49 -57.81 9.36 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 131.14 3.776 . . . . 0.0 111.591 164.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 mt -47.09 -51.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 128.097 2.559 . . . . 0.0 114.913 166.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 t -57.45 -50.89 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 126.252 1.821 . . . . 0.0 111.948 -179.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.331 0.0 OUTLIER -38.06 -25.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 122.466 4.247 . . . . 0.0 122.466 175.454 . . . . . . . . 5 4 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -119.42 133.63 55.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.15 -1.593 . . . . 0.0 111.278 172.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 ttp85 -51.54 -50.83 59.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.504 2.721 . . . . 0.0 112.239 173.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.71 73.48 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -175.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -62.23 -38.71 90.23 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.106 1.362 . . . . 0.0 111.672 171.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -59.83 -55.16 37.71 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.552 1.941 . . . . 0.0 111.035 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -53.31 -45.06 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.42 2.688 . . . . 0.0 115.258 172.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -43.41 98.9 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.864 -1.773 . . . . 0.0 114.086 173.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -58.7 -31.49 68.3 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.482 1.913 . . . . 0.0 112.884 169.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.59 -50.93 63.29 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.821 -1.174 . . . . 0.0 111.743 171.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.14 -42.25 76.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 173.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.57 -62.76 1.45 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.051 1.741 . . . . 0.0 113.737 167.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.292 16.3 pt -68.6 -32.68 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-O 122.754 1.264 . . . . 0.0 113.38 -172.308 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 20.56 12.7 Favored Glycine 0 N--CA 1.429 -1.782 0 C-N-CA 127.596 2.522 . . . . 0.0 114.512 170.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.76 97.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 123.904 1.812 . . . . 0.0 113.766 169.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -56.93 164.88 1.41 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 161.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.467 ' C ' ' H ' ' A' ' 46' ' ' GLY 0.379 27.7 t60 -93.71 -120.34 0.09 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 111.772 -2.467 . . . . 0.0 112.333 144.859 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 130.699 3.599 . . . . 0.0 120.612 169.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 44' ' ' HIS . . . 64.8 12.89 55.29 Favored Glycine 0 N--CA 1.43 -1.76 1 C-N-CA 131.377 4.322 . . . . 0.0 113.556 -166.498 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -97.14 143.57 27.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.767 -2.216 . . . . 0.0 115.103 170.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -66.25 125.5 25.78 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.754 0.822 . . . . 0.0 112.284 -172.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 119.3 19.93 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -160.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -86.78 158.79 19.31 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.834 2.054 . . . . 0.0 112.388 -172.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.45 -48.4 70.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.993 -1.692 . . . . 0.0 114.68 -178.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.62 -60.3 4.02 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.05 -1.656 . . . . 0.0 115.423 168.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -64.38 -16.15 61.77 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -55.26 -60.64 3.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 117.642 -3.161 . . . . 0.0 114.125 154.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -57.38 -21.9 39.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -69.07 -56.05 8.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 114.29 162.651 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.337 35.5 pt -47.48 -46.84 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 178.668 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.03 -42.34 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 m -74.92 -68.96 0.5 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -177.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.305 5.9 pt-20 -49.61 11.06 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 121.037 3.718 . . . . 0.0 121.037 -178.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.32 131.37 50.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.423 1.489 . . . . 0.0 111.788 172.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 p -74.92 160.06 31.07 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 122.32 1.057 . . . . 0.0 111.317 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -45.82 -44.09 13.9 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.654 1.582 . . . . 0.0 113.615 167.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.78 -45.86 90.69 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.973 1.709 . . . . 0.0 115.194 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -58.49 -41.08 84.54 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 123.515 0.726 . . . . 0.0 111.618 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -78.74 -39.82 35.13 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.263 1.825 . . . . 0.0 110.96 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -43.28 63.67 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.618 1.167 . . . . 0.0 110.581 165.229 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -65.95 -33.07 74.99 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.21 -31.33 65.77 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.78 -53.41 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 126.297 1.839 . . . . 0.0 111.635 178.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -59.56 -44.07 93.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.383 -2.073 . . . . 0.0 112.909 176.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.73 -45.42 61.82 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.294 -1.321 . . . . 0.0 112.131 -176.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.52 43.26 2.67 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.003 -2.311 . . . . 0.0 116.901 -177.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -27.28 -61.81 0.09 Allowed 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 123.544 4.646 . . . . 0.0 123.544 -176.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.73 -32.05 41.13 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 118.632 -2.542 . . . . 0.0 110.213 -170.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.04 -44.29 7.16 Favored Glycine 0 N--CA 1.43 -1.74 0 N-CA-C 106.031 -2.828 . . . . 0.0 106.031 -162.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.27 39.0 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 -172.171 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -54.93 -46.75 74.98 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 169.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.4 -59.24 4.25 Favored Glycine 0 N--CA 1.43 -1.747 1 C-N-CA 113.877 -4.011 . . . . 0.0 115.08 178.273 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.313 3.5 m -57.35 -21.05 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 174.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -72.12 -28.05 63.02 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 122.437 2.381 . . . . 0.0 113.847 170.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -64.46 -39.76 94.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 115.905 -2.318 . . . . 0.0 110.992 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.92 -19.64 61.23 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -93.88 -6.32 45.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.456 -2.653 . . . . 0.0 109.256 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.16 -75.08 0.37 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.735 166.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.327 14.7 ptp -48.02 -41.39 25.49 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -165.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 6.6 m-85 -74.79 -5.44 43.46 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 173.138 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.306 8.9 t . . . . . 0 N--CA 1.431 -1.414 0 CA-C-N 121.173 1.806 . . . . 0.0 111.364 175.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 tt -59.26 -49.47 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.386 1.874 . . . . 0.0 114.846 -177.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.15 -45.96 92.5 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.2 m -59.79 -42.14 92.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.671 -1.893 . . . . 0.0 114.826 168.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 t -57.02 -40.26 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.996 -1.69 . . . . 0.0 111.375 173.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -62.77 -47.28 84.17 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 129.876 3.27 . . . . 0.0 115.42 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.18 -33.62 73.67 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 123.152 1.453 . . . . 0.0 111.541 177.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.255 61.0 mt -69.71 -41.42 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 113.578 175.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.7 mt -48.37 -53.12 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 127.134 2.173 . . . . 0.0 114.582 168.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -65.64 -33.95 77.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.575 1.55 . . . . 0.0 112.963 -177.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.91 -51.3 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.4 1.88 . . . . 0.0 113.948 164.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.12 95.81 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 117.556 -3.215 . . . . 0.0 115.898 176.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.347 20.6 p -55.22 -22.44 17.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 168.169 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 8.8 mm -60.04 -53.54 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 CA-C-N 120.254 1.388 . . . . 0.0 112.239 163.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.28 -49.96 75.31 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.321 -1.487 . . . . 0.0 113.179 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.4 HG13 ' H ' ' B' ' 19' ' ' ILE . 14.0 mt -53.7 -38.14 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.958 -1.714 . . . . 0.0 115.231 168.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.311 0.0 OUTLIER -54.27 -45.81 72.52 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.598 1.559 . . . . 0.0 112.864 170.729 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -85.12 7.74 20.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.688 1.995 . . . . 0.0 115.67 174.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 62.93 37.22 12.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.925 -1.734 . . . . 0.0 114.545 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -112.63 56.69 0.67 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.208 1.403 . . . . 0.0 109.385 174.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.371 0.0 OUTLIER -73.0 -20.5 61.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.704 -1.247 . . . . 0.0 113.8 171.027 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -49.19 -38.07 24.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.627 2.371 . . . . 0.0 113.145 165.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mt -76.84 -30.32 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 111.889 -3.924 . . . . 0.0 112.364 177.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.36 -28.23 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.287 -167.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.2 pt-20 -69.65 1.94 3.71 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -171.317 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -134.55 135.63 42.44 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.173 -1.58 . . . . 0.0 106.954 177.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -71.38 -48.15 51.82 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.481 -2.012 . . . . 0.0 113.267 -177.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.45 33.0 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.447 -3.283 . . . . 0.0 119.69 175.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.82 -25.05 18.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 121.991 0.901 . . . . 0.0 110.938 169.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -70.28 -55.15 9.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.557 1.143 . . . . 0.0 108.799 173.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.4 mt -50.26 -50.32 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.477 2.711 . . . . 0.0 114.628 169.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.04 19.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 171.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -85.35 -24.82 27.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.984 0.914 . . . . 0.0 113.12 172.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.9 -38.17 67.0 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.956 -2.34 . . . . 0.0 110.015 176.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.27 -58.45 8.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.9 1.28 . . . . 0.0 112.041 168.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -36.35 -47.07 0.58 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.402 HD12 ' CG2' ' B' ' 42' ' ' VAL . 14.4 pt -96.77 -33.13 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.268 -1.52 . . . . 0.0 111.507 -175.424 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 57.35 1.22 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -172.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.402 ' CG2' HD12 ' B' ' 40' ' ' ILE . 2.5 t -97.55 118.36 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 160.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' B' ' 43' ' ' THR . 51.5 p -125.39 158.94 33.05 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.039 2.135 . . . . 0.0 114.596 -171.127 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.402 ' CD2' ' CD ' ' B' ' 45' ' ' GLU . 7.3 t60 -82.2 -92.19 0.06 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.471 -177.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' CD2' ' B' ' 44' ' ' HIS . 7.6 mp0 -92.14 46.13 1.25 Allowed 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 117.32 -1.752 . . . . 0.0 108.382 -166.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.96 6.42 87.31 Favored Glycine 0 N--CA 1.43 -1.739 0 C-N-CA 127.509 2.481 . . . . 0.0 114.304 -167.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -125.28 154.75 41.24 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.259 2.03 . . . . 0.0 108.832 -165.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.12 134.35 53.57 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.548 -1.345 . . . . 0.0 110.792 -168.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 144.08 26.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -153.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -100.27 161.99 13.25 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -173.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -72.66 -49.67 30.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.103 1.32 . . . . 0.0 112.799 173.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.7 -66.76 0.33 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.049 -1.657 . . . . 0.0 114.494 169.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -18.11 0.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.809 2.522 . . . . 0.0 117.809 168.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -82.85 -32.1 27.66 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.573 -3.204 . . . . 0.0 110.84 174.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -79.92 -18.02 51.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.427 1.639 . . . . 0.0 115.427 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -53.3 15.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.734 -1.229 . . . . 0.0 111.927 163.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.264 10.1 pt -54.66 -46.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.44 -31.77 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -172.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -77.5 -71.02 0.44 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 175.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -47.32 -6.39 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 -173.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 mt -40.12 136.08 1.25 Allowed 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.23 -2.169 . . . . 0.0 114.872 165.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . 0.262 23.4 p -82.4 177.86 8.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 122.915 1.34 . . . . 0.0 109.298 -178.282 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.6 -20.89 65.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.475 -2.016 . . . . 0.0 110.35 167.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.43 -49.33 9.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.039 -2.288 . . . . 0.0 108.373 -173.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -44.22 -43.86 7.48 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.533 2.79 . . . . 0.0 118.533 166.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -83.95 -30.42 26.29 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 118.361 -2.712 . . . . 0.0 106.627 -174.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -31.32 68.08 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.455 -2.028 . . . . 0.0 109.251 176.237 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -60.43 -37.98 82.62 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 163.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 mt -85.36 -4.52 59.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.479 -1.388 . . . . 0.0 111.382 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.44 -23.22 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 121.187 -0.946 . . . . 0.0 108.455 173.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.33 -57.11 3.51 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.971 -2.331 . . . . 0.0 106.848 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.63 -22.2 57.04 Favored 'General case' 0 N--CA 1.429 -1.475 1 N-CA-C 125.112 5.227 . . . . 0.0 125.112 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.15 54.55 1.43 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 121.253 1.842 . . . . 0.0 107.703 -170.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -44.87 -68.59 0.19 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.484 2.313 . . . . 0.0 116.49 -166.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.58 -53.5 11.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.515 1.526 . . . . 0.0 109.702 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.82 -68.22 0.8 Allowed Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 127.174 2.321 . . . . 0.0 115.344 178.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.346 1.1 t80 -64.39 -53.8 42.79 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.21 -178.044 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -38.33 -44.33 0.89 Allowed 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.48 3.53 Favored Glycine 0 N--CA 1.429 -1.773 0 CA-C-O 122.367 0.982 . . . . 0.0 113.214 174.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.66 -19.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.181 -2.364 . . . . 0.0 113.912 -174.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -83.19 -19.6 36.23 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.242 2.217 . . . . 0.0 115.617 174.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.94 -33.44 73.73 Favored 'General case' 0 N--CA 1.429 -1.481 1 C-N-CA 108.617 -5.233 . . . . 0.0 116.614 154.217 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.43 -56.44 7.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 125.757 1.911 . . . . 0.0 107.589 -171.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . 0.324 82.7 mt -67.58 -23.35 65.38 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 117.064 -3.522 . . . . 0.0 115.239 177.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.98 -49.86 14.5 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 116.98 -1.888 . . . . 0.0 110.407 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.28 4.8 ptp -54.68 -19.64 6.59 Favored 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 124.236 4.902 . . . . 0.0 124.236 165.492 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 16.1 m-85 -95.79 0.07 51.89 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 120.276 -1.515 . . . . 0.0 110.021 -176.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.335 5.0 t . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 123.269 1.509 . . . . 0.0 112.164 174.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.43 -1.435 0 CA-C-O 120.892 0.377 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -48.75 -47.37 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 C-N-CA 126.307 1.843 . . . . 0.0 115.961 170.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.34 -54.56 44.08 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.716 1.606 . . . . 0.0 112.368 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 83.9 m -67.29 -29.92 69.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.665 -1.272 . . . . 0.0 114.16 175.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 t -61.81 -46.02 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.888 -2.382 . . . . 0.0 111.896 171.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -51.36 -54.59 24.93 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.373 2.669 . . . . 0.0 112.821 178.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -72.03 -19.16 61.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.736 -1.853 . . . . 0.0 115.148 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.6 mt -80.19 -37.23 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.693 -1.879 . . . . 0.0 110.13 173.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mt -52.14 -42.14 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 127.401 2.281 . . . . 0.0 114.96 171.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -68.08 -54.0 21.4 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.815 -1.178 . . . . 0.0 110.026 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 t -49.79 -45.98 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.665 1.986 . . . . 0.0 115.886 169.387 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.63 91.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.77 -1.831 . . . . 0.0 111.503 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -20.74 66.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 172.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -67.66 -46.74 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.187 1.795 . . . . 0.0 110.47 174.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.64 -34.99 75.1 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.075 0.95 . . . . 0.0 112.032 176.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.3 mt -73.02 -27.0 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.683 -1.261 . . . . 0.0 112.96 176.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.184 1.393 . . . . 0.0 111.695 169.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -95.99 8.57 43.34 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.95 -1.719 . . . . 0.0 114.825 177.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 74.6 9.34 4.26 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -93.38 43.81 1.12 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.541 1.936 . . . . 0.0 113.104 -176.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -63.55 -21.25 66.23 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 177.063 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.18 -40.7 7.45 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 168.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.73 -42.19 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 126.147 1.779 . . . . 0.0 110.48 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.25 -37.87 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.318 1.047 . . . . 0.0 111.633 175.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -70.33 -20.52 62.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.939 2.496 . . . . 0.0 114.492 -175.172 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -110.43 105.58 14.61 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.13 1.372 . . . . 0.0 107.651 -179.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -42.2 -56.07 3.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.688 3.195 . . . . 0.0 114.079 177.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.4 -51.43 44.07 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -178.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.03 -34.31 20.95 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.675 1.59 . . . . 0.0 113.384 170.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.68 -51.6 66.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 170.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 128.834 2.853 . . . . 0.0 114.008 175.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.0 86.53 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 125.786 1.634 . . . . 0.0 113.665 169.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.35 -39.55 78.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.364 1.466 . . . . 0.0 110.72 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.44 -49.03 73.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.085 1.354 . . . . 0.0 113.146 171.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -71.28 -31.68 67.78 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.711 -1.868 . . . . 0.0 114.512 176.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.72 -56.61 15.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 167.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER -84.21 -15.91 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 120.66 -1.275 . . . . 0.0 113.534 -175.117 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.11 42.73 4.89 Favored Glycine 0 N--CA 1.431 -1.67 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.9 t -83.87 108.42 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 164.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.0 p -119.13 126.95 52.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -169.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -67.59 -71.1 0.22 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.485 -2.01 . . . . 0.0 114.422 -171.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.96 41.74 1.3 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.337 -1.477 . . . . 0.0 109.682 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.96 23.35 63.54 Favored Glycine 0 N--CA 1.429 -1.79 0 N-CA-C 117.017 1.567 . . . . 0.0 117.017 -170.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -121.76 179.0 4.63 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 119.356 1.578 . . . . 0.0 107.152 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.52 138.35 48.83 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.375 -1.453 . . . . 0.0 111.889 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.67 121.15 40.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.832 1.301 . . . . 0.0 108.871 -167.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.67 168.5 10.63 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.514 1.125 . . . . 0.0 110.782 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -74.47 -40.06 62.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.496 -1.377 . . . . 0.0 111.901 179.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -67.93 -52.37 36.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.224 -0.922 . . . . 0.0 111.885 171.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 5.5 m -67.61 -15.09 63.47 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 177.358 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.92 -50.48 49.01 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.749 1.738 . . . . 0.0 110.06 170.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -64.54 -30.42 71.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.758 -1.839 . . . . 0.0 112.497 -176.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.272 0.0 OUTLIER -65.95 -28.92 69.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 167.116 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.355 22.3 pt -67.21 -53.55 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 119.78 -1.825 . . . . 0.0 112.225 172.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.58 -40.48 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -173.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -75.41 -44.59 43.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -93.21 11.54 27.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 -164.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.65 140.95 10.38 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.832 -1.168 . . . . 0.0 113.923 171.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.0 p -86.88 178.51 6.95 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.593 1.557 . . . . 0.0 109.285 -176.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.24 -46.89 81.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.524 -1.985 . . . . 0.0 111.144 169.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.26 -40.11 11.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.613 2.82 . . . . 0.0 118.613 170.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.34 -37.79 71.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.284 -1.51 . . . . 0.0 113.302 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.77 -28.15 30.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.88 -1.138 . . . . 0.0 111.616 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -44.75 95.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.007 2.123 . . . . 0.0 109.536 171.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.8 m -56.55 -39.49 73.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.796 1.238 . . . . 0.0 114.316 172.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.1 -37.87 64.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.018 -1.676 . . . . 0.0 113.784 174.409 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.44 -38.42 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.472 1.909 . . . . 0.0 113.518 174.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.2 -48.17 82.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.286 -1.509 . . . . 0.0 115.055 172.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -94.99 -20.12 19.63 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -166.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -134.05 64.42 1.6 Allowed 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.398 -2.064 . . . . 0.0 107.109 -170.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -55.27 -71.89 0.08 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.603 1.561 . . . . 0.0 114.868 -163.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.09 -42.63 75.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 112.993 176.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.86 91.46 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 124.773 1.177 . . . . 0.0 114.341 -168.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.36 0.1 OUTLIER -76.32 -43.52 40.89 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.818 177.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -49.0 -47.91 43.92 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.223 2.283 . . . . 0.0 115.854 -178.013 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.56 -59.66 6.99 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 114.386 0.515 . . . . 0.0 114.386 174.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 m -66.77 -26.91 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.888 -1.948 . . . . 0.0 113.438 -172.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -68.11 -42.53 80.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.453 -1.404 . . . . 0.0 113.695 177.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -46.86 -45.24 20.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.194 1.816 . . . . 0.0 115.423 166.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.18 -54.63 30.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.514 1.526 . . . . 0.0 107.945 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.83 -30.86 64.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 174.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -71.37 -65.6 0.73 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.267 1.394 . . . . 0.0 111.634 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.9 ptp -54.58 -28.3 45.1 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -175.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 15.7 m-85 -80.9 -4.72 55.85 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.333 1.053 . . . . 0.0 113.068 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 CA-C-O 122.605 1.193 . . . . 0.0 109.234 173.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -61.29 -41.44 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 127.351 2.26 . . . . 0.0 112.09 -176.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.13 -31.07 69.5 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 123.968 0.907 . . . . 0.0 111.764 -177.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -38.89 92.0 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.379 -1.45 . . . . 0.0 112.827 169.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.2 -35.62 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 120.307 -1.496 . . . . 0.0 109.401 179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -45.75 62.75 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.995 2.918 . . . . 0.0 114.586 -171.738 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -64.09 -37.28 86.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.671 -1.268 . . . . 0.0 113.875 168.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mt -76.8 -24.54 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.269 -2.77 . . . . 0.0 114.119 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.89 -49.63 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.18 -2.2 . . . . 0.0 112.019 173.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.6 p -67.18 -33.26 75.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.182 1.793 . . . . 0.0 113.265 178.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.34 -47.54 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 124.822 1.249 . . . . 0.0 113.934 167.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.35 -33.05 49.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.838 -2.414 . . . . 0.0 113.931 -176.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.9 p -66.76 -22.54 66.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.92 -1.737 . . . . 0.0 114.428 168.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -50.54 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-N 120.058 1.299 . . . . 0.0 113.301 156.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.42 -42.25 91.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.313 -1.492 . . . . 0.0 112.871 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.03 -36.34 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.444 -1.41 . . . . 0.0 113.999 171.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -54.45 -44.52 72.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.949 -1.72 . . . . 0.0 112.825 169.606 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -85.77 11.56 10.84 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.625 1.57 . . . . 0.0 114.272 176.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 54.16 41.22 32.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.161 2.584 . . . . 0.0 115.778 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -111.21 52.78 0.73 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.418 1.487 . . . . 0.0 110.481 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER -75.42 -13.16 60.37 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.24 -25.38 67.03 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.592 -1.317 . . . . 0.0 113.604 166.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.9 -50.34 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.861 -1.775 . . . . 0.0 110.08 169.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.51 -37.6 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.434 1.493 . . . . 0.0 114.166 -174.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.415 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.9 tt0 -53.43 -23.73 10.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 173.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.24 109.61 19.39 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.985 -1.697 . . . . 0.0 110.568 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -36.81 -61.45 0.54 Allowed 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 129.473 3.109 . . . . 0.0 113.939 169.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.83 91.44 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.776 -1.827 . . . . 0.0 115.632 -177.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -61.17 -31.6 71.34 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 119.923 1.238 . . . . 0.0 113.156 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.52 -52.01 55.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.666 1.586 . . . . 0.0 112.675 174.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.8 -38.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.767 3.227 . . . . 0.0 114.18 170.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.75 72.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.458 1.123 . . . . 0.0 108.566 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.333 1.7 t80 -60.85 -33.03 72.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 171.079 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.75 -33.8 76.47 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.164 -2.835 . . . . 0.0 114.327 172.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -72.5 -27.37 62.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.516 -1.365 . . . . 0.0 113.08 171.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.2 -58.09 4.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.823 1.249 . . . . 0.0 113.299 176.205 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.27 -19.13 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.889 -1.757 . . . . 0.0 111.927 -171.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 32.47 7.06 Favored Glycine 0 N--CA 1.429 -1.795 0 O-C-N 120.56 -1.337 . . . . 0.0 115.36 172.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.88 101.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.163 1.459 . . . . 0.0 110.072 166.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -115.39 120.61 40.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.356 1.862 . . . . 0.0 108.353 -173.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -66.32 -78.47 0.05 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -172.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -95.15 39.1 1.12 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.471 -2.018 . . . . 0.0 110.284 175.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 17.05 78.48 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.399 -1.438 . . . . 0.0 114.659 -168.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -119.68 156.61 30.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.644 -1.504 . . . . 0.0 109.697 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -62.38 131.65 49.97 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.68 1.592 . . . . 0.0 113.129 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 120.61 24.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.578 1.656 . . . . 0.0 112.815 -175.232 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -94.5 163.65 13.31 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.067 1.747 . . . . 0.0 112.137 -176.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.59 -34.37 69.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -77.28 -33.88 55.71 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.398 -1.439 . . . . 0.0 111.601 175.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.0 m -74.21 -30.96 62.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.979 1.312 . . . . 0.0 112.922 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -58.35 -48.87 79.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 123.793 1.759 . . . . 0.0 112.417 168.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 -66.37 -33.64 76.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.656 -1.277 . . . . 0.0 112.904 -177.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -65.7 -49.33 68.93 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.243 -1.535 . . . . 0.0 113.974 168.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 33.6 pt -53.34 -45.18 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 120.326 1.421 . . . . 0.0 114.444 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.6 -42.85 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -87.59 -43.91 11.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -174.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.04 7.83 4.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.476 1.943 . . . . 0.0 115.25 -169.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.54 144.61 30.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.056 1.342 . . . . 0.0 113.01 176.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.1 p -86.18 170.1 12.46 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.3 -39.11 85.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.203 -1.561 . . . . 0.0 112.591 172.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.07 -39.18 88.89 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 173.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.35 -44.4 96.58 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.262 -1.524 . . . . 0.0 112.541 174.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -76.01 -39.93 54.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.774 1.229 . . . . 0.0 111.02 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.13 67.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 113.174 163.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 74.8 m -64.91 -40.17 94.67 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.465 -0.772 . . . . 0.0 111.737 -178.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.3 -48.72 72.15 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.977 -1.077 . . . . 0.0 113.42 172.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.22 -48.15 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.151 1.78 . . . . 0.0 114.129 171.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.87 -34.25 76.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -100.61 -41.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -175.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -102.3 56.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 119.466 -2.021 . . . . 0.0 112.058 -171.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -41.03 -72.65 0.06 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -173.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.84 -62.61 1.39 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 113.874 -170.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -48.98 -55.74 11.18 Favored Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 174.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.612 2.206 . . . . 0.0 110.67 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -55.2 -57.73 10.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.088 1.767 . . . . 0.0 111.53 169.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.66 -68.75 1.53 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 121.68 -0.637 . . . . 0.0 114.08 175.198 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 m -63.2 -25.08 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 O-C-N 120.082 -1.834 . . . . 0.0 115.883 -171.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.74 -20.92 59.63 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 173.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -60.5 -45.76 92.59 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.287 -2.133 . . . . 0.0 112.6 164.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.89 -61.8 1.76 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.101 2.16 . . . . 0.0 109.411 -173.409 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.8 mt -52.77 -33.35 48.11 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.224 2.21 . . . . 0.0 115.337 178.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.29 -44.6 44.82 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 121.69 -0.631 . . . . 0.0 111.507 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.4 ptp -69.69 -39.07 77.16 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -171.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 15.5 m-85 -74.65 -5.52 43.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.507 1.523 . . . . 0.0 113.604 -176.421 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.429 -1.487 0 O-C-N 120.312 -1.492 . . . . 0.0 111.064 175.428 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 3.0 ptmm? -124.29 -144.49 0.33 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 119.562 -1.961 . . . . 0.0 105.797 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -86.31 -40.06 15.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.665 -1.897 . . . . 0.0 111.94 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.56 -47.41 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 124.719 1.208 . . . . 0.0 114.029 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.98 -39.86 1.27 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.5 2.72 . . . . 0.0 116.223 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.7 m -86.14 -45.57 11.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.065 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 t -56.16 -39.9 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.369 -2.082 . . . . 0.0 113.926 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -49.53 -60.23 3.04 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 129.469 3.107 . . . . 0.0 112.796 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.5 -12.6 61.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 118.186 2.662 . . . . 0.0 118.186 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.2 mt -90.63 -15.28 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.664 -1.897 . . . . 0.0 110.234 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.21 -52.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.033 -2.917 . . . . 0.0 109.215 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -57.14 -56.96 14.96 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.04 1.336 . . . . 0.0 111.375 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 t -46.1 -53.09 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 128.609 2.764 . . . . 0.0 113.053 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.95 -13.47 59.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 112.7 -3.6 . . . . 0.0 112.964 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 p -78.07 -17.33 57.13 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 119.024 -0.512 . . . . 0.0 112.178 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.7 -50.97 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 125.897 1.679 . . . . 0.0 110.536 165.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.39 -28.52 69.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.47 1.108 . . . . 0.0 112.504 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.397 54.7 mt -74.6 -44.07 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 121.186 -0.946 . . . . 0.0 112.671 170.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -40.07 59.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 126.772 2.029 . . . . 0.0 114.812 168.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -88.5 -2.49 58.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.31 -1.494 . . . . 0.0 114.314 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.262 0.9 OUTLIER 64.83 50.55 1.97 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.069 2.548 . . . . 0.0 115.038 176.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -124.81 44.85 2.67 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 130.882 3.673 . . . . 0.0 110.294 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.381 0.0 OUTLIER -53.07 -28.11 23.35 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -43.84 -39.22 3.73 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 119.518 3.155 . . . . 0.0 119.518 168.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.61 -37.97 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.258 -2.151 . . . . 0.0 113.078 173.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 t -70.07 -27.2 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 125.991 1.717 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -4.17 31.04 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.936 2.494 . . . . 0.0 115.169 -169.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.26 130.07 24.53 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 117.134 -3.478 . . . . 0.0 110.323 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -59.41 -43.24 93.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.57 29.33 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 118.29 -2.756 . . . . 0.0 115.528 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -44.2 -36.16 2.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.31 -42.81 53.7 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.304 1.842 . . . . 0.0 113.034 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.8 mt -55.51 -43.34 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 128.062 2.545 . . . . 0.0 112.807 170.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.84 67.75 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.355 -1.466 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -46.2 -44.6 16.25 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.209 2.204 . . . . 0.0 113.704 166.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.57 -52.46 64.73 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.034 -1.666 . . . . 0.0 114.517 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.63 -37.53 87.69 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.17 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.61 -49.48 77.58 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.776 2.03 . . . . 0.0 115.889 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.282 0.1 OUTLIER -87.16 -11.75 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 120.623 1.556 . . . . 0.0 111.757 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 33.0 6.58 Favored Glycine 0 N--CA 1.43 -1.706 0 N-CA-C 117.964 1.946 . . . . 0.0 117.964 171.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -80.04 120.47 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 120.54 2.17 . . . . 0.0 111.422 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.3 p -100.74 158.49 15.92 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.403 1.081 . . . . 0.0 111.065 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 5.9 t60 -82.81 -101.13 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.945 -1.722 . . . . 0.0 113.41 162.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 87.4 mt-10 -89.89 53.57 2.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.683 -1.886 . . . . 0.0 108.105 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.06 0.34 55.91 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 117.553 1.781 . . . . 0.0 117.553 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -111.99 168.44 9.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.544 1.164 . . . . 0.0 111.082 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -70.14 153.78 42.72 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.476 -1.39 . . . . 0.0 109.898 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.95 113.75 27.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.953 1.359 . . . . 0.0 113.956 -163.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -90.1 157.75 17.62 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.504 -168.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.25 -46.29 87.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -70.75 -43.06 69.6 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.026 -1.671 . . . . 0.0 114.449 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -73.2 -19.26 61.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.334 -1.479 . . . . 0.0 113.337 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.89 -53.13 60.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.653 1.581 . . . . 0.0 112.225 163.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -64.19 -37.1 86.26 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.457 -1.402 . . . . 0.0 113.34 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -62.63 -34.3 76.76 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.319 43.1 pt -65.3 -49.21 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.093 -1.629 . . . . 0.0 114.189 173.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.18 -40.94 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.0 m -83.25 -55.72 4.18 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.126 1.37 . . . . 0.0 113.948 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.606 4.4 pt-20 -74.79 13.21 0.68 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -170.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.58 157.13 4.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.835 1.654 . . . . 0.0 111.433 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -87.86 173.55 8.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.934 -1.729 . . . . 0.0 108.287 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -63.09 -41.5 99.41 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 118.963 -2.336 . . . . 0.0 112.513 170.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -46.09 -56.55 5.45 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.8 -33.81 37.27 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -81.8 -48.74 11.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.934 1.294 . . . . 0.0 108.815 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -48.97 -39.7 27.58 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.7 m -63.44 -34.94 78.85 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.77 -45.03 65.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.307 -2.12 . . . . 0.0 111.49 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.3 mt -56.47 -39.62 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 126.444 1.898 . . . . 0.0 114.061 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.27 -37.25 77.81 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -94.62 -26.33 16.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.914 -1.742 . . . . 0.0 112.912 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.29 60.01 1.32 Allowed 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 -170.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -54.0 -70.9 0.08 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -165.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -73.78 -31.28 63.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.71 1.204 . . . . 0.0 112.276 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.4 25.64 Favored Glycine 0 N--CA 1.431 -1.684 0 O-C-N 120.765 -1.209 . . . . 0.0 112.28 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 0.1 OUTLIER -70.6 -46.11 64.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 115.943 -1.98 . . . . 0.0 110.806 178.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -36.54 -61.22 0.54 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 122.558 2.436 . . . . 0.0 116.484 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.11 9.27 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 121.678 -0.639 . . . . 0.0 113.855 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.78 -19.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 118.868 -2.548 . . . . 0.0 114.377 -169.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -81.22 -18.46 46.02 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 124.972 1.309 . . . . 0.0 112.321 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -66.45 -38.8 88.16 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 115.65 -2.42 . . . . 0.0 111.477 163.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.94 -58.97 3.23 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.409 1.884 . . . . 0.0 107.113 -173.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.79 -36.29 64.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.714 -1.866 . . . . 0.0 115.331 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.33 -65.03 0.75 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 119.519 1.054 . . . . 0.0 111.021 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.272 6.2 ptp -47.87 -33.79 7.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.01 -4.41 56.68 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.486 -1.384 . . . . 0.0 111.325 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.294 0.0 OUTLIER -129.14 40.96 3.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.452 1.596 . . . . 0.0 107.853 171.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.27 97.16 11.04 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.782 -1.823 . . . . 0.0 106.612 158.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.43 -1.429 0 C-N-CA 124.297 1.039 . . . . 0.0 110.801 -171.775 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 . . . . . 0 N--CA 1.43 -1.473 0 CA-C-O 120.862 0.363 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.475 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -136.09 -172.0 3.02 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -69.38 -38.76 78.17 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.775 -1.828 . . . . 0.0 112.858 -171.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.88 -49.21 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 126.908 2.083 . . . . 0.0 114.672 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.04 -37.24 14.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.712 2.405 . . . . 0.0 114.161 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.402 ' OG1' ' CE1' ' B' ' 44' ' ' HIS . 0.2 OUTLIER -73.2 -54.66 7.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.91 1.284 . . . . 0.0 109.005 -176.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -57.54 -33.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.594 1.558 . . . . 0.0 112.174 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -55.85 -66.85 0.35 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.989 2.916 . . . . 0.0 112.084 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.95 -25.14 66.19 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 mt -72.07 -36.57 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 120.639 -1.288 . . . . 0.0 112.904 174.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.6 mt -48.09 -53.69 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 128.112 2.565 . . . . 0.0 114.387 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -67.53 -48.45 66.98 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.672 1.124 . . . . 0.0 111.521 -173.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.8 t -47.29 -33.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.525 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 165.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.68 -11.7 47.58 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 117.842 -3.036 . . . . 0.0 111.979 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 94.3 p -84.08 -26.86 28.67 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.118 -0.989 . . . . 0.0 109.794 172.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 6.8 mm -51.67 -48.7 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-N 120.457 1.481 . . . . 0.0 113.461 159.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.29 -41.14 98.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.5 mt -78.78 -20.42 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.483 -2.636 . . . . 0.0 116.044 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.94 80.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.156 -2.215 . . . . 0.0 111.649 166.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -84.14 3.24 35.84 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 61.82 39.66 13.64 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.665 1.986 . . . . 0.0 115.051 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -111.84 52.84 0.74 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.927 1.346 . . . . 0.0 111.688 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.333 0.0 OUTLIER -67.18 -6.8 19.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.111 2.634 . . . . 0.0 118.111 176.665 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -57.88 -35.61 71.23 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.603 1.961 . . . . 0.0 114.0 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.4 -38.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 125.841 1.657 . . . . 0.0 110.764 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.47 -34.8 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 111.461 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -56.65 -12.83 2.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 130.13 3.372 . . . . 0.0 117.864 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -141.3 139.22 33.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.015 -2.303 . . . . 0.0 108.478 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -55.55 -40.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.82 1.648 . . . . 0.0 114.147 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.08 -56.43 11.57 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.955 -2.341 . . . . 0.0 115.104 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -45.92 -35.42 4.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -72.44 -45.63 58.71 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 126.067 1.747 . . . . 0.0 111.987 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.88 -40.04 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 128.954 2.902 . . . . 0.0 113.829 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -53.11 61.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.724 -1.235 . . . . 0.0 111.332 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -54.79 -33.78 61.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 168.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.973 -2.33 . . . . 0.0 112.331 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.29 -31.17 71.3 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.117 -1.614 . . . . 0.0 113.789 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.37 -67.58 0.31 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.507 -1.371 . . . . 0.0 113.603 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.37 -12.48 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 121.639 0.733 . . . . 0.0 112.543 -167.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.98 40.52 6.17 Favored Glycine 0 N--CA 1.43 -1.725 0 CA-C-O 117.982 -1.455 . . . . 0.0 115.592 169.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.26 109.98 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 121.831 2.815 . . . . 0.0 109.218 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.26 127.78 53.49 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.475 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 4.6 t60 -74.24 -92.57 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -92.81 51.97 1.78 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 118.751 -2.468 . . . . 0.0 108.161 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.71 15.33 68.67 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 125.053 1.311 . . . . 0.0 114.378 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -127.97 161.34 29.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.67 1.188 . . . . 0.0 109.231 -172.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.72 140.97 58.93 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.534 1.159 . . . . 0.0 112.539 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 124.69 35.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-O 122.484 1.135 . . . . 0.0 111.147 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -101.45 170.57 8.12 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 125.655 1.582 . . . . 0.0 110.852 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -42.9 75.85 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.558 -1.339 . . . . 0.0 114.179 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -72.46 -39.0 68.1 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.25 -1.531 . . . . 0.0 114.107 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.6 m -70.55 -23.56 62.64 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.027 1.331 . . . . 0.0 113.137 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -65.35 -45.4 84.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.562 1.649 . . . . 0.0 111.967 168.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -70.27 -33.16 71.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.692 -1.88 . . . . 0.0 112.918 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.264 2.4 ptmm? -56.27 -47.8 77.87 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 165.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.277 26.5 pt -58.45 -44.38 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 124.677 1.191 . . . . 0.0 112.678 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -76.46 -44.13 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -74.26 -54.37 7.85 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -78.55 -0.23 28.83 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -162.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.6 mt -41.01 142.22 0.52 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.898 2.079 . . . . 0.0 114.717 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -86.02 171.72 11.19 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.026 -1.671 . . . . 0.0 108.129 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -67.85 -37.93 82.5 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.697 -1.877 . . . . 0.0 111.848 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -58.5 -40.93 84.16 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.625 2.37 . . . . 0.0 115.428 168.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -65.32 -36.54 84.36 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.564 -1.96 . . . . 0.0 112.762 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -75.3 -46.14 35.29 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.777 1.231 . . . . 0.0 110.224 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -52.58 -37.88 58.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 126.598 1.959 . . . . 0.0 113.988 166.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -58.26 -44.84 88.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.751 -1.218 . . . . 0.0 113.174 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.8 75.98 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.835 -1.79 . . . . 0.0 112.457 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.18 -46.98 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.394 1.478 . . . . 0.0 114.017 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -70.84 -37.22 73.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.57 -35.69 15.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.221 -1.549 . . . . 0.0 112.945 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.55 68.14 0.73 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.66 -1.9 . . . . 0.0 107.193 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -57.89 -71.56 0.1 Allowed 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.02 1.328 . . . . 0.0 114.504 -170.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -58.69 -51.15 71.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.22 -52.51 43.51 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 124.339 0.971 . . . . 0.0 115.43 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -72.7 -20.87 61.15 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 119.653 1.726 . . . . 0.0 110.522 -174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -56.08 -60.31 3.66 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.399 -2.063 . . . . 0.0 112.223 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.57 1.0 Allowed Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -32.16 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.686 -2.067 . . . . 0.0 114.567 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -77.7 -13.09 60.0 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.024 1.738 . . . . 0.0 114.385 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -62.77 -47.74 82.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.589 -2.569 . . . . 0.0 112.534 159.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -64.79 -60.52 2.99 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.037 1.735 . . . . 0.0 109.248 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.0 mt -49.08 -37.32 20.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.801 2.44 . . . . 0.0 115.484 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.33 -37.03 38.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 121.91 -0.494 . . . . 0.0 111.393 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.6 ptp -76.42 -29.75 57.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.244 -1.535 . . . . 0.0 112.402 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.45 -5.63 58.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.929 -1.107 . . . . 0.0 112.031 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.341 1.7 t -135.27 51.39 2.08 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.596 1.665 . . . . 0.0 108.778 172.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -96.05 101.05 12.67 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 154.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 N--CA 1.429 -1.485 0 C-N-CA 124.36 1.064 . . . . 0.0 111.371 -170.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 N--CA 1.429 -1.501 0 CA-C-O 122.317 1.056 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.571 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -121.58 -160.03 0.84 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.077 1.351 . . . . 0.0 107.478 175.157 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -68.21 -48.49 65.06 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.709 -1.869 . . . . 0.0 113.263 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.51 -27.16 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 128.183 2.593 . . . . 0.0 115.335 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 3' ' ' LYS . 1.1 m-20 -63.37 -40.34 96.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 124.111 1.91 . . . . 0.0 109.397 -177.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 m -77.48 -42.23 36.53 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.285 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.78 -42.85 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 O-C-N 119.366 -2.084 . . . . 0.0 113.595 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.74 -51.84 67.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 129.147 2.979 . . . . 0.0 112.118 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 120.074 -1.641 . . . . 0.0 112.574 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mt -69.55 -35.44 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.111 -2.243 . . . . 0.0 112.205 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -50.7 -44.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.202 2.601 . . . . 0.0 115.906 169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -66.32 -47.24 74.18 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.605 -1.31 . . . . 0.0 110.633 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.37 -49.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.195 2.998 . . . . 0.0 114.2 171.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -30.61 69.59 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.287 -2.133 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -76.88 -11.55 59.84 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.121 -2.862 . . . . 0.0 115.001 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 mm -65.71 -49.11 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 124.923 1.289 . . . . 0.0 107.887 166.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 4.8 mt -61.01 -33.64 73.58 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.717 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.7 mt -80.75 -25.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 111.92 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -60.5 -43.78 96.67 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.711 -1.868 . . . . 0.0 112.169 169.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -89.21 -5.92 57.29 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.855 1.662 . . . . 0.0 112.124 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t 59.33 49.49 8.84 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 117.63 2.455 . . . . 0.0 117.63 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -108.4 46.48 0.96 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 128.804 2.842 . . . . 0.0 112.069 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.339 0.0 OUTLIER -64.56 -17.05 63.59 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 -176.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.82 -39.02 11.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 164.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.13 -42.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.931 -1.731 . . . . 0.0 112.798 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -67.55 -33.97 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.401 1.88 . . . . 0.0 113.808 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.272 6.6 pt-20 -59.36 -20.62 56.2 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -168.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -133.42 140.35 47.27 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.337 -2.102 . . . . 0.0 114.124 167.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.253 0.7 OUTLIER -38.26 -52.9 1.49 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 128.628 2.771 . . . . 0.0 114.597 175.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 -22.58 45.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.777 -2.452 . . . . 0.0 115.787 -171.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -73.87 -38.56 64.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.24 -1.537 . . . . 0.0 107.814 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.17 -62.74 1.55 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.814 2.446 . . . . 0.0 115.397 168.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.286 7.6 mt -40.72 -44.64 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 166.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.12 91.13 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 117.959 -2.963 . . . . 0.0 113.078 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CZ ' HD12 ' A' ' 18' ' ' LEU . 25.0 t80 -55.4 -47.22 76.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.994 2.917 . . . . 0.0 111.835 167.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.54 -44.71 62.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.913 1.688 . . . . 0.0 114.803 173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -66.96 -28.65 68.45 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.719 -1.238 . . . . 0.0 113.536 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -72.61 -54.75 8.25 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.487 -1.383 . . . . 0.0 112.304 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.78 -21.07 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.06 45.9 3.22 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 124.501 1.048 . . . . 0.0 115.197 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.67 118.42 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 120.353 -1.675 . . . . 0.0 109.795 170.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -112.51 149.71 32.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.572 1.149 . . . . 0.0 108.218 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 10.6 t60 -76.91 -95.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.947 -1.096 . . . . 0.0 111.625 174.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.38 14.87 1.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.785 -1.822 . . . . 0.0 114.892 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.42 4.23 62.58 Favored Glycine 0 N--CA 1.429 -1.772 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -164.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -96.43 138.74 33.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 100.222 -3.992 . . . . 0.0 100.222 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' HZ3' ' CD ' ' B' ' 75' ' ' GLU . 95.2 mttt -78.36 143.56 36.76 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 128.44 36.32 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.881 1.324 . . . . 0.0 111.986 -151.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -98.66 154.57 17.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.733 1.213 . . . . 0.0 109.754 -172.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.94 -33.71 76.45 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.118 -1.614 . . . . 0.0 114.554 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -70.11 -57.15 5.28 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.12 1.368 . . . . 0.0 113.017 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.1 m -70.4 -10.62 59.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 118.784 -2.447 . . . . 0.0 116.558 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.3 -57.68 10.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.012 1.325 . . . . 0.0 111.561 161.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -65.76 -25.42 67.27 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 121.061 -1.024 . . . . 0.0 112.675 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.306 35.7 pttt -63.46 -48.69 76.65 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 164.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.28 26.3 pt -59.66 -44.34 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 119.609 -1.932 . . . . 0.0 114.009 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.9 -38.83 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -92.05 -26.68 18.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 118.07 2.618 . . . . 0.0 118.07 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -83.04 1.05 42.02 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 124.922 3.51 . . . . 0.0 114.88 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -48.51 141.46 6.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.729 1.612 . . . . 0.0 114.86 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.3 p -81.28 169.08 17.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.315 -0.866 . . . . 0.0 109.187 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.28 -33.94 73.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.182 -2.199 . . . . 0.0 110.647 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -34.86 76.61 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 125.337 1.455 . . . . 0.0 114.674 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -65.14 -39.33 92.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.367 1.556 . . . . 0.0 113.198 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -74.02 -46.55 42.77 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.858 1.263 . . . . 0.0 110.867 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -39.01 65.16 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.864 1.666 . . . . 0.0 113.618 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 m -62.09 -39.86 93.89 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.581 -1.949 . . . . 0.0 114.281 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.5 -40.26 89.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.18 -37.41 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.867 1.267 . . . . 0.0 112.379 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.18 -38.19 72.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -82.77 -40.37 20.57 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 120.182 1.355 . . . . 0.0 113.202 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.267 52.8 m-85 -125.42 66.77 1.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.93 2.492 . . . . 0.0 111.345 -167.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.92 -63.82 1.17 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.429 1.492 . . . . 0.0 114.578 -163.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -71.87 -38.86 69.96 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.848 1.659 . . . . 0.0 111.696 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.01 9.06 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 126.661 2.077 . . . . 0.0 113.459 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.312 1.1 t80 -72.76 -32.67 65.81 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.563 -0.963 . . . . 0.0 111.263 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -48.25 -57.34 6.09 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.697 -2.502 . . . . 0.0 114.602 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.03 -64.42 3.53 Favored Glycine 0 N--CA 1.43 -1.702 0 O-C-N 120.554 -1.341 . . . . 0.0 113.746 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.71 -20.13 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.562 -2.728 . . . . 0.0 113.92 -166.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -87.28 -11.05 50.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.331 -1.481 . . . . 0.0 112.469 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.45 -40.06 95.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.662 -2.524 . . . . 0.0 111.164 159.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -69.29 -53.38 20.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.046 2.138 . . . . 0.0 108.138 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.65 -51.92 67.89 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.43 -1.419 . . . . 0.0 111.827 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -56.01 -36.59 68.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.0 ptp -82.67 -21.98 34.76 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 121.169 -0.957 . . . . 0.0 112.529 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.58 4.78 50.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.505 -1.372 . . . . 0.0 111.661 -174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 t -146.11 69.95 1.22 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.975 1.369 . . . . 0.0 108.77 171.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -112.01 130.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? . . . . . 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 109.759 -165.237 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.439 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 10.4 pttm -118.43 -175.29 2.84 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.613 -1.304 . . . . 0.0 108.51 175.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.66 -47.58 84.71 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 119.602 -1.936 . . . . 0.0 114.698 -172.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.416 HG21 ' HG3' ' B' ' 3' ' ' LYS . 8.4 tt -62.55 -38.49 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 113.034 -1.893 . . . . 0.0 114.491 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.84 -47.21 77.67 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 128.183 2.593 . . . . 0.0 113.776 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -75.14 -41.83 57.45 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.614 1.166 . . . . 0.0 109.959 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 36.9 t -53.38 -40.06 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 119.934 -1.729 . . . . 0.0 114.083 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -54.81 -56.87 14.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 128.851 2.86 . . . . 0.0 113.229 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -50.06 -47.68 53.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.285 1.834 . . . . 0.0 115.177 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mt -79.86 -27.85 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 120.017 -1.677 . . . . 0.0 113.678 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -48.19 -56.93 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 127.112 2.165 . . . . 0.0 113.171 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -69.9 -38.39 76.3 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.669 -1.269 . . . . 0.0 113.178 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -51.36 -46.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 165.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.23 63.33 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 117.519 -3.238 . . . . 0.0 113.788 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 p -72.03 -18.75 61.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.159 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.73 -55.22 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 124.827 1.251 . . . . 0.0 111.201 162.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.15 -39.29 89.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.871 -1.143 . . . . 0.0 111.053 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.54 -33.67 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.023 1.729 . . . . 0.0 110.961 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.15 79.72 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 120.687 1.585 . . . . 0.0 112.284 168.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -86.67 10.19 16.43 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.38 28.66 16.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.65 49.18 1.11 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.031 2.132 . . . . 0.0 110.608 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.318 0.0 OUTLIER -61.41 -16.72 49.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 168.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -51.17 -31.44 20.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.24 -47.69 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.694 1.198 . . . . 0.0 111.224 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.72 -39.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.431 2.692 . . . . 0.0 112.032 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -50.42 -14.14 0.16 Allowed 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 130.419 3.487 . . . . 0.0 119.83 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -144.22 131.28 20.52 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.818 -2.426 . . . . 0.0 110.57 167.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -31.04 -49.57 0.13 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.882 2.873 . . . . 0.0 114.939 164.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.73 42.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.252 -2.155 . . . . 0.0 111.739 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -66.17 -41.67 90.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.155 -2.216 . . . . 0.0 111.959 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.69 -50.5 72.97 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.057 1.743 . . . . 0.0 113.761 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -51.95 -48.39 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.29 2.236 . . . . 0.0 113.345 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.31 95.53 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 114.157 -3.017 . . . . 0.0 115.635 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -56.61 -38.96 72.77 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.075 1.75 . . . . 0.0 113.06 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.9 -41.83 75.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.597 -2.564 . . . . 0.0 113.055 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -72.15 -20.32 61.63 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.853 1.261 . . . . 0.0 111.095 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.353 18.0 mt-10 -71.6 -54.91 8.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 119.192 -1.003 . . . . 0.0 113.053 171.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.98 -17.03 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.024 -1.673 . . . . 0.0 110.306 -166.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 36.82 12.61 Favored Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 115.816 1.087 . . . . 0.0 115.816 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -79.23 118.1 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 CA-C-N 118.773 1.287 . . . . 0.0 110.413 162.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -116.87 147.22 42.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.102 0.961 . . . . 0.0 109.2 -174.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.439 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.261 47.0 t60 -75.63 -90.05 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 173.016 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -93.94 50.89 1.46 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.264 -2.148 . . . . 0.0 111.765 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.7 1.15 44.56 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 125.363 1.459 . . . . 0.0 115.42 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -93.91 138.87 31.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.771 1.628 . . . . 0.0 110.404 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -62.21 121.1 12.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.494 1.118 . . . . 0.0 108.204 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.33 130.74 36.54 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 122.632 1.206 . . . . 0.0 110.602 -146.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -94.79 154.97 17.02 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.364 -0.835 . . . . 0.0 111.486 -170.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.22 -39.84 74.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -74.15 -37.98 63.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.118 -1.614 . . . . 0.0 113.774 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.5 m -81.34 -15.14 56.24 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.048 -1.657 . . . . 0.0 113.124 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.15 -50.65 67.34 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.677 1.591 . . . . 0.0 111.406 162.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -69.38 -23.34 63.72 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.961 -1.712 . . . . 0.0 112.322 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.257 8.8 ptmt -61.48 -55.6 29.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 161.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 26.5 pt -54.85 -41.95 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.88 -41.13 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 N-CA-C 114.428 1.269 . . . . 0.0 114.428 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -85.3 -47.92 9.57 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.401 4.7 pt-20 -78.2 15.49 0.93 Allowed 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 120.905 1.684 . . . . 0.0 114.989 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.67 133.34 56.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.077 0.941 . . . . 0.0 111.375 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -75.29 170.05 16.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.552 -1.343 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -69.35 -37.32 77.59 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 120.265 -1.522 . . . . 0.0 112.131 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.38 -28.51 67.99 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 170.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -65.0 -39.02 92.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.673 -1.892 . . . . 0.0 111.811 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -77.75 -41.03 39.0 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.664 -1.897 . . . . 0.0 110.042 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.68 63.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.504 1.522 . . . . 0.0 112.826 166.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -59.54 -42.51 92.5 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.233 -0.917 . . . . 0.0 113.439 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.04 -37.22 78.48 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.255 -1.528 . . . . 0.0 112.36 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.4 -41.41 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.295 -1.503 . . . . 0.0 112.593 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -68.03 -37.43 81.35 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.337 -1.477 . . . . 0.0 114.428 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -87.1 -28.06 22.75 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.732 -1.855 . . . . 0.0 115.129 -175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -136.7 66.19 1.49 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 120.354 -1.466 . . . . 0.0 110.776 -169.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -51.04 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.488 ' CD ' ' HZ3' ' A' ' 48' ' ' LYS . 3.0 mp0 -75.88 -30.88 58.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.702 -1.874 . . . . 0.0 111.382 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.12 -56.37 8.04 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 125.135 1.35 . . . . 0.0 112.227 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.375 0.2 OUTLIER -70.94 -37.27 72.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 117.77 -1.109 . . . . 0.0 109.477 -176.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -46.73 -57.33 4.96 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.54 -53.78 33.21 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 119.89 -1.756 . . . . 0.0 114.681 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.74 -19.86 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.056 -3.026 . . . . 0.0 111.693 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -75.05 -23.13 58.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.354 -1.466 . . . . 0.0 112.972 172.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -64.3 -38.21 90.23 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 125.246 2.451 . . . . 0.0 112.192 169.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.12 -53.4 25.6 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 111.639 -2.528 . . . . 0.0 108.936 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.67 -20.73 63.76 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.854 -2.404 . . . . 0.0 116.882 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.15 -44.95 18.99 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.126 -2.234 . . . . 0.0 110.327 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.48 -26.07 57.89 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.062 -2.274 . . . . 0.0 112.984 -164.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -91.8 4.92 51.73 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.564 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.385 15.4 t -142.52 49.76 1.5 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.437 2.065 . . . . 0.0 111.189 173.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -98.19 115.02 27.46 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 128.108 2.563 . . . . 0.0 113.018 167.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 N--CA 1.43 -1.453 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.01 -163.542 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 N--CA 1.429 -1.484 0 CA-C-O 121.773 0.797 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 13.4 mptt -113.6 157.9 21.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.191 0.997 . . . . 0.0 109.603 -178.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -69.84 -55.65 9.22 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 121.229 -0.919 . . . . 0.0 112.403 -172.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' CG2' ' H ' ' A' ' 6' ' ' ASP . 18.3 tt -42.82 -57.96 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 127.709 2.404 . . . . 0.0 117.09 -179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' H ' ' CG2' ' A' ' 5' ' ' ILE . 43.5 m-20 -50.52 -40.78 52.49 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.001 1.72 . . . . 0.0 114.384 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -55.64 -48.96 74.11 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.473 1.509 . . . . 0.0 109.621 172.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.03 -63.24 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 125.491 1.517 . . . . 0.0 110.307 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -32.59 -58.9 0.33 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.862 3.665 . . . . 0.0 120.594 164.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.56 -29.37 65.8 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 113.576 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.1 mt -75.56 -34.64 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 120.578 -1.326 . . . . 0.0 111.266 173.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.32 -53.85 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.005 2.122 . . . . 0.0 112.976 168.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -53.96 -46.88 71.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 120.849 1.659 . . . . 0.0 115.405 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.04 -45.23 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 119.958 -1.714 . . . . 0.0 113.318 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.66 87.05 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.667 -1.27 . . . . 0.0 113.254 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -73.06 -13.82 61.28 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' CG2' ' B' ' 17' ' ' ILE . 0.9 OUTLIER -72.18 -40.43 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.982 2.113 . . . . 0.0 110.339 167.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.16 -27.14 68.51 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.229 -2.794 . . . . 0.0 112.514 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.347 48.9 mt -79.56 -45.56 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.492 -1.38 . . . . 0.0 111.452 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -36.22 -52.82 0.81 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 161.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.4 -18.21 57.48 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.319 0.9 OUTLIER 72.97 49.07 0.16 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.484 2.313 . . . . 0.0 115.385 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.63 42.99 3.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.906 3.282 . . . . 0.0 113.039 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -60.25 -16.3 32.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -179.105 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -28.4 -49.19 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.537 2.735 . . . . 0.0 117.816 164.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.53 -43.52 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.709 1.604 . . . . 0.0 112.253 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.48 -35.27 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.777 1.631 . . . . 0.0 113.849 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.9 -29.74 70.41 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -110.35 119.21 38.5 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.221 -1.549 . . . . 0.0 108.698 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -42.93 -54.63 4.12 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.971 2.508 . . . . 0.0 113.24 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.13 56.11 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -86.03 -31.55 21.93 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.523 1.154 . . . . 0.0 108.724 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.83 -55.39 35.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.342 1.457 . . . . 0.0 111.629 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -57.67 -40.11 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.018 2.527 . . . . 0.0 114.075 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.1 72.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.512 -1.368 . . . . 0.0 113.521 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -80.58 -33.36 36.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.392 -1.443 . . . . 0.0 109.578 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.72 -49.33 75.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.578 -1.951 . . . . 0.0 112.851 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.06 -22.25 66.72 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.82 -47.44 12.83 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.059 1.3 . . . . 0.0 113.042 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.252 0.2 OUTLIER -83.59 -5.92 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.116 -1.615 . . . . 0.0 113.32 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 51.08 17.09 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.648 -1.282 . . . . 0.0 115.016 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.3 t -80.44 110.01 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 162.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -112.38 123.65 50.76 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.494 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.266 9.9 t60 -64.74 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 31.2 mt-10 -101.75 57.0 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.561 -1.962 . . . . 0.0 107.594 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.66 9.93 59.81 Favored Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 116.373 1.309 . . . . 0.0 116.373 -167.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -126.77 163.54 23.33 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.751 2.776 . . . . 0.0 107.597 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -82.39 175.59 10.12 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.796 0.839 . . . . 0.0 112.606 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.21 127.56 55.02 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 123.343 1.544 . . . . 0.0 113.839 -161.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -93.09 159.66 15.2 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 111.164 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -66.72 -32.63 74.05 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.0 -1.687 . . . . 0.0 114.863 173.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -72.22 -48.54 42.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 111.984 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 -36.19 80.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.43 -60.7 2.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.293 1.044 . . . . 0.0 112.46 170.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -61.85 -22.45 65.53 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.363 23.9 pttt -59.14 -52.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.953 1.252 . . . . 0.0 114.176 164.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.285 0.0 OUTLIER -61.57 -50.59 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 118.995 -2.315 . . . . 0.0 112.856 -174.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.25 -32.48 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -92.45 -39.11 11.6 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.9 9.49 14.23 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.288 -2.133 . . . . 0.0 114.578 -167.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.11 150.92 5.34 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.653 1.581 . . . . 0.0 113.803 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -88.25 169.43 11.87 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 171.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -67.11 -28.19 67.95 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.764 -2.46 . . . . 0.0 112.08 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.2 -38.68 90.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.304 1.442 . . . . 0.0 113.297 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.15 -36.9 83.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 120.576 -1.327 . . . . 0.0 113.583 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -82.34 -31.06 30.05 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.626 -1.296 . . . . 0.0 111.523 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -37.54 87.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.006 0.923 . . . . 0.0 111.377 166.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -59.71 -43.19 94.25 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 121.213 -0.929 . . . . 0.0 112.276 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.48 -50.9 56.91 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.373 1.069 . . . . 0.0 111.568 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -50.96 -40.95 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 126.211 1.804 . . . . 0.0 113.831 172.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -59.13 -41.79 89.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 126.229 1.812 . . . . 0.0 114.183 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -93.75 -32.44 14.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.784 -1.823 . . . . 0.0 114.755 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -124.56 69.26 1.09 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -168.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -57.39 -70.96 0.11 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.108 1.363 . . . . 0.0 112.373 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.08 -42.14 97.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.663 1.585 . . . . 0.0 112.76 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -60.25 8.34 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 125.885 1.707 . . . . 0.0 114.374 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.274 0.2 OUTLIER -71.32 -44.19 65.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 116.764 -1.589 . . . . 0.0 109.636 -174.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -43.61 -54.42 4.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 121.017 1.735 . . . . 0.0 114.798 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.23 -62.76 5.53 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 116.197 1.239 . . . . 0.0 116.197 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.46 -23.71 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 118.927 -2.513 . . . . 0.0 115.468 -172.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -78.3 -17.34 56.74 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.102 1.361 . . . . 0.0 112.734 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -66.11 -43.35 87.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.052 -1.655 . . . . 0.0 111.983 160.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.33 -54.64 25.94 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.588 1.555 . . . . 0.0 108.364 -171.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -49.54 -59.29 3.89 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.235 -1.54 . . . . 0.0 112.097 174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -42.53 50.21 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -174.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.0 ptp -78.95 -26.29 43.58 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -85.58 -6.93 59.11 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 118.779 -2.45 . . . . 0.0 111.604 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.584 0.2 OUTLIER -110.03 11.97 23.77 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.594 1.958 . . . . 0.0 112.314 169.188 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -74.74 109.4 8.18 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.285 -2.759 . . . . 0.0 110.196 166.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? . . . . . 0 N--CA 1.431 -1.416 0 C-N-CA 126.086 1.755 . . . . 0.0 110.99 -169.789 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.486 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 14.3 mptt -112.88 165.11 12.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 122.913 1.34 . . . . 0.0 109.064 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.52 -44.36 24.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.914 -1.741 . . . . 0.0 112.212 -156.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 tt -61.22 -47.08 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 C-N-CA 126.229 1.812 . . . . 0.0 112.837 -168.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -63.19 -33.73 76.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.3 m -70.28 -48.88 54.74 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.026 -1.046 . . . . 0.0 111.078 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.95 -41.59 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 172.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -64.14 -58.44 6.61 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 130.324 3.449 . . . . 0.0 112.053 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.64 -28.69 70.09 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.84 -28.83 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.167 -2.833 . . . . 0.0 113.366 170.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -57.12 -55.75 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 118.725 -2.485 . . . . 0.0 113.317 173.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.1 p -60.84 -36.3 78.78 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.224 1.81 . . . . 0.0 113.4 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.19 -44.98 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.194 1.798 . . . . 0.0 113.04 172.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.83 65.09 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.953 -2.342 . . . . 0.0 111.903 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p -54.82 -40.56 69.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.432 HG22 ' CE2' ' B' ' 21' ' ' PHE . 0.7 OUTLIER -49.88 -45.0 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 125.262 1.425 . . . . 0.0 113.244 167.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.78 -42.55 93.58 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.088 -1.633 . . . . 0.0 114.33 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.409 HG13 ' H ' ' B' ' 19' ' ' ILE . 3.4 mt -65.31 -38.49 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-O 117.305 -1.331 . . . . 0.0 113.034 173.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -46.35 -57.12 4.91 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 121.842 2.11 . . . . 0.0 113.278 166.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . 0.432 ' CE2' HG22 ' B' ' 17' ' ' ILE . 19.8 m-85 -74.0 -26.51 60.49 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.292 15.5 t 95.79 47.44 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.686 2.794 . . . . 0.0 111.064 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -123.92 51.79 1.51 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 128.637 2.775 . . . . 0.0 106.819 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -15.42 57.76 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.178 -1.576 . . . . 0.0 112.78 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -58.46 -24.44 60.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.198 1.799 . . . . 0.0 115.657 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.12 -48.93 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.128 -1.607 . . . . 0.0 109.507 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 -38.36 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.491 2.316 . . . . 0.0 112.394 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -54.84 -18.54 4.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.245 3.018 . . . . 0.0 117.627 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.18 137.11 54.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.75 -1.218 . . . . 0.0 109.716 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -57.57 -56.47 21.43 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.883 -1.761 . . . . 0.0 112.084 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.4 97.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -168.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -73.23 -26.18 61.02 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.707 -1.871 . . . . 0.0 113.202 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -69.05 -48.04 63.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.857 1.663 . . . . 0.0 110.723 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.93 -36.34 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 C-N-CA 128.802 2.841 . . . . 0.0 112.969 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.32 76.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 125.101 1.361 . . . . 0.0 107.731 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -58.67 -36.28 73.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 166.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.32 -41.84 90.01 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.604 -1.935 . . . . 0.0 113.035 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.18 -25.52 64.38 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.952 -1.718 . . . . 0.0 114.582 169.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.99 -60.59 2.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.83 1.252 . . . . 0.0 112.536 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.93 -14.26 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.613 1.197 . . . . 0.0 111.485 -170.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.67 47.92 5.18 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 117.864 -1.52 . . . . 0.0 115.28 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.51 117.65 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-N 122.421 3.111 . . . . 0.0 104.804 160.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -125.26 132.97 52.85 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.203 1.001 . . . . 0.0 109.48 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.486 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 50.0 t60 -71.41 -84.02 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -170.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -90.13 38.23 0.92 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.286 -2.759 . . . . 0.0 109.947 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.73 2.82 71.27 Favored Glycine 0 N--CA 1.43 -1.739 0 O-C-N 119.615 -1.928 . . . . 0.0 114.818 -166.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -102.97 147.67 26.64 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.053 1.341 . . . . 0.0 111.006 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -77.61 143.2 38.44 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.982 -1.074 . . . . 0.0 113.793 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -85.69 124.82 32.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.723 -1.236 . . . . 0.0 113.897 -156.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -84.16 164.69 19.0 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.485 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.13 -2.232 . . . . 0.0 112.861 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.25 -38.14 60.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.788 -1.195 . . . . 0.0 112.622 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.1 m -75.97 -30.61 58.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.809 -1.182 . . . . 0.0 112.551 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -66.06 -45.58 80.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.83 0.824 . . . . 0.0 108.979 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -65.14 -36.32 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.699 -1.876 . . . . 0.0 115.767 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -63.49 -25.26 68.18 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.454 0.1 OUTLIER -68.31 -51.72 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 162.272 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -80.29 -37.75 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -66.37 -60.75 2.47 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.353 -2.092 . . . . 0.0 115.785 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.94 10.81 20.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.682 -1.886 . . . . 0.0 115.835 -159.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.1 mt -51.49 134.14 29.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.061 2.144 . . . . 0.0 115.824 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.5 p -61.78 150.06 38.15 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -56.27 -45.08 80.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 112.786 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -54.33 -43.86 71.59 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.94 -27.85 65.09 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.039 -1.663 . . . . 0.0 113.609 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -76.83 -44.55 31.99 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.65 -1.906 . . . . 0.0 110.239 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -60.4 -30.66 69.74 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.746 1.218 . . . . 0.0 113.179 169.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.1 m -59.56 -45.53 91.57 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.271 1.829 . . . . 0.0 110.998 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.75 -36.9 62.61 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.549 -1.97 . . . . 0.0 112.382 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.22 -43.06 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.26 -1.525 . . . . 0.0 113.556 167.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -63.38 -49.57 73.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -93.62 -25.46 17.51 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -166.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -121.28 67.25 0.88 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.863 2.065 . . . . 0.0 109.907 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -57.63 -71.75 0.1 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.234 -1.541 . . . . 0.0 115.132 -166.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.22 -43.34 82.29 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.05 -44.77 65.34 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.695 -1.253 . . . . 0.0 115.106 -172.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.351 0.2 OUTLIER -74.75 -36.22 62.62 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 118.675 1.238 . . . . 0.0 109.843 -176.232 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -44.83 -59.29 2.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.331 1.878 . . . . 0.0 114.367 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.58 -65.57 3.17 Favored Glycine 0 N--CA 1.429 -1.788 0 N-CA-C 115.768 1.067 . . . . 0.0 115.768 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -68.02 -20.47 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.134 -2.392 . . . . 0.0 114.657 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -80.63 -20.93 42.06 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.845 -1.784 . . . . 0.0 113.706 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -61.63 -41.88 98.12 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.594 -1.642 . . . . 0.0 112.941 163.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.19 -54.12 20.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 128.269 2.628 . . . . 0.0 107.954 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.0 -48.85 78.78 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -57.1 -43.08 81.88 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.8 ptp -75.82 -24.26 55.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.429 1.109 . . . . 0.0 112.95 -173.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -89.16 -3.75 58.5 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.912 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.52 0.1 OUTLIER -134.02 51.09 2.15 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.456 1.598 . . . . 0.0 110.55 169.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.96 116.7 22.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.142 -2.223 . . . . 0.0 110.687 161.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 166.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.461 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 37.0 mttp -113.75 168.71 9.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.844 1.258 . . . . 0.0 108.512 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -75.49 -32.24 60.48 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.126 -1.609 . . . . 0.0 112.514 -174.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -62.43 -43.24 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 127.739 2.415 . . . . 0.0 112.147 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.22 -39.64 71.59 Favored 'General case' 0 CA--C 1.488 -1.407 0 C-N-CA 124.68 1.192 . . . . 0.0 113.02 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -70.91 -39.53 72.68 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.7 -1.25 . . . . 0.0 111.164 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.69 -37.26 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.104 -2.248 . . . . 0.0 114.862 165.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -71.53 -48.79 46.52 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.131 1.772 . . . . 0.0 112.525 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.98 -30.72 71.73 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 113.252 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mt -80.36 -19.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.479 -2.013 . . . . 0.0 113.444 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.1 -53.95 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 117.815 -3.053 . . . . 0.0 110.443 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -58.73 -42.78 89.55 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.3 -45.83 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.655 1.982 . . . . 0.0 114.527 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.91 77.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.598 -1.939 . . . . 0.0 112.631 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.8 p -63.32 -29.09 70.46 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 mm -51.25 -54.47 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 164.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.12 -41.38 83.5 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.55 -34.25 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -50.95 -41.42 59.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.878 -2.389 . . . . 0.0 113.914 165.535 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -90.03 12.75 16.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t 50.91 38.95 21.51 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.763 2.025 . . . . 0.0 115.331 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 25' ' ' ASP . 1.1 mmp_? -115.34 56.52 0.75 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.877 1.322 . . . . 0.0 110.238 175.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -6.12 23.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 169.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 23' ' ' ARG . 2.0 m-20 -50.94 -36.04 36.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.472 2.709 . . . . 0.0 114.869 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.4 mt -76.69 -43.78 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 125.413 1.485 . . . . 0.0 111.627 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.88 -44.72 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.395 1.878 . . . . 0.0 112.592 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.11 -14.02 0.98 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 130.381 3.472 . . . . 0.0 116.713 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -127.57 114.74 17.81 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.546 -1.972 . . . . 0.0 111.956 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -32.56 -64.34 0.18 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.702 3.201 . . . . 0.0 114.712 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -44.85 84.59 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.62 -36.05 73.44 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.02 -49.33 72.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.415 1.886 . . . . 0.0 112.727 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.6 -39.85 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 128.485 2.714 . . . . 0.0 113.465 169.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.16 74.68 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 123.877 0.871 . . . . 0.0 109.713 175.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -53.09 -43.35 66.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.649 1.98 . . . . 0.0 115.153 167.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.42 -44.08 88.94 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.433 -2.042 . . . . 0.0 113.734 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -72.77 -24.73 60.99 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.992 -1.692 . . . . 0.0 114.327 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.88 -46.04 59.2 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.65 1.58 . . . . 0.0 111.928 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.9 pt -89.63 -12.64 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.651 -1.281 . . . . 0.0 112.349 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.5 28.83 13.35 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.319 2.3 t -70.35 110.85 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 119.433 1.617 . . . . 0.0 108.956 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 p -102.92 142.91 33.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.87 1.268 . . . . 0.0 107.596 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.5 t60 -73.29 -95.09 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.515 -1.366 . . . . 0.0 112.302 168.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.82 47.44 1.1 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.12 -2.237 . . . . 0.0 110.193 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.56 -9.09 75.0 Favored Glycine 0 N--CA 1.43 -1.74 0 O-C-N 121.432 -0.792 . . . . 0.0 113.534 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -95.93 138.35 33.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.587 1.555 . . . . 0.0 109.544 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -63.46 147.19 51.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.145 -0.972 . . . . 0.0 111.043 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.88 123.34 31.9 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.492 -1.38 . . . . 0.0 114.409 -162.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -93.32 161.0 14.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.6 1.16 . . . . 0.0 110.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -73.33 -31.68 64.13 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.845 -1.785 . . . . 0.0 115.007 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -77.16 -40.39 45.64 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.567 -1.333 . . . . 0.0 113.427 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.1 m -74.21 -23.36 59.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.474 -1.391 . . . . 0.0 113.962 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -58.72 -53.28 60.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.007 1.323 . . . . 0.0 109.999 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -29.72 70.42 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.773 -1.205 . . . . 0.0 113.617 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 31.5 pttt -66.46 -42.89 86.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.958 1.708 . . . . 0.0 115.152 169.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.346 44.4 pt -56.53 -48.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 113.097 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -78.44 -41.7 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -80.93 -55.4 4.82 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.367 6.6 pt-20 -82.93 21.37 1.05 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -166.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.35 151.95 12.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.542 1.537 . . . . 0.0 112.855 165.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 p -78.91 170.0 17.35 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.419 -2.051 . . . . 0.0 111.739 173.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -60.33 -40.89 92.25 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.198 -1.564 . . . . 0.0 112.875 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.3 -31.92 70.71 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 124.864 1.266 . . . . 0.0 114.335 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.07 -41.01 97.71 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.108 1.432 . . . . 0.0 111.243 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -72.67 -46.46 53.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.74 1.616 . . . . 0.0 110.204 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -35.43 65.17 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.4 m -62.99 -39.72 95.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.112 -0.993 . . . . 0.0 112.772 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.15 -45.42 66.82 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.09 0.956 . . . . 0.0 112.004 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -49.17 -47.92 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.84 1.656 . . . . 0.0 113.604 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -66.48 -31.9 72.93 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -93.69 -37.08 12.01 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -114.37 65.54 0.67 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.386 1.475 . . . . 0.0 108.041 -170.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -59.76 -69.18 0.22 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -166.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.05 -32.94 74.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.773 -1.829 . . . . 0.0 114.341 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 -59.43 4.91 Favored Glycine 0 N--CA 1.43 -1.753 0 C-N-CA 125.045 1.307 . . . . 0.0 113.12 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.255 0.9 OUTLIER -77.06 -13.32 59.97 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.119 -1.224 . . . . 0.0 110.83 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.03 -61.46 2.62 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.15 -2.219 . . . . 0.0 110.452 165.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.72 -55.06 12.26 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 124.117 0.865 . . . . 0.0 114.859 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.39 -22.34 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 119.72 -2.047 . . . . 0.0 111.508 -167.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -76.13 -36.08 58.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.576 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.255 26.2 mmt180 -48.15 -46.73 34.81 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 120.753 1.615 . . . . 0.0 112.75 168.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.77 -53.1 59.55 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.599 1.56 . . . . 0.0 109.632 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.44 -37.72 86.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.956 -1.715 . . . . 0.0 114.883 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -70.28 -36.0 74.1 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.26 -1.525 . . . . 0.0 113.379 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.5 ptp -80.16 -26.87 39.14 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.224 -1.548 . . . . 0.0 115.088 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.87 -3.56 57.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.557 -1.339 . . . . 0.0 112.208 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.31 12.7 t -136.35 25.15 3.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.644 -1.285 . . . . 0.0 113.489 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -81.96 115.37 21.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 163.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt . . . . . 0 N--CA 1.43 -1.464 0 O-C-N 119.509 -1.994 . . . . 0.0 111.477 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 . . . . . 0 N--CA 1.429 -1.483 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.496 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 3.8 mppt? -119.36 -175.8 3.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -70.44 -47.77 59.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.483 ' CG2' ' H ' ' B' ' 6' ' ' ASP . 6.6 tt -46.93 -58.3 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 C-N-CA 127.13 2.172 . . . . 0.0 115.171 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.483 ' H ' ' CG2' ' B' ' 5' ' ' ILE . 74.5 m-20 -32.12 -47.1 0.13 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.662 2.385 . . . . 0.0 116.853 172.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -51.48 65.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.646 1.578 . . . . 0.0 111.733 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.8 -39.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.769 2.028 . . . . 0.0 111.032 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -52.45 -59.11 4.82 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 129.504 3.122 . . . . 0.0 115.079 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.27 -28.21 66.1 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.131 -2.231 . . . . 0.0 114.736 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -73.09 -37.5 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.252 -2.155 . . . . 0.0 112.352 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.17 -42.32 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.126 2.57 . . . . 0.0 116.735 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -67.69 -47.83 68.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.3 t -51.51 -42.89 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 168.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.82 81.38 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.726 -1.234 . . . . 0.0 111.237 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.417 ' HB3' HG11 ' B' ' 80' ' ' VAL . 15.5 p -62.45 -25.11 67.8 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 12.4 mm -62.06 -48.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 124.944 1.298 . . . . 0.0 111.619 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.33 -37.94 89.24 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.344 -1.473 . . . . 0.0 113.041 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' B' ' 24' ' ' GLU . 14.5 mt -64.76 -30.77 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 124.971 1.309 . . . . 0.0 113.06 173.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -32.04 72.93 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.394 1.478 . . . . 0.0 113.305 173.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -100.73 10.53 41.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.417 -1.427 . . . . 0.0 114.11 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t 74.05 20.02 2.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.749 1.62 . . . . 0.0 114.017 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -104.48 36.34 2.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.27 1.828 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.413 ' HB3' HG12 ' B' ' 19' ' ' ILE 0.285 0.0 OUTLIER -56.8 -24.38 50.24 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.106 1.763 . . . . 0.0 115.591 169.77 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -38.46 -42.1 0.71 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.171 2.656 . . . . 0.0 118.171 160.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.2 mt -68.88 -42.58 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 O-C-N 120.428 -1.42 . . . . 0.0 111.06 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.45 -33.0 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 124.788 1.235 . . . . 0.0 112.052 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.33 -18.77 29.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.909 2.884 . . . . 0.0 118.046 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -127.29 125.97 41.8 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.835 -1.79 . . . . 0.0 112.477 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -46.84 -60.88 2.14 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.147 2.579 . . . . 0.0 114.656 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.1 -15.64 60.06 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -79.17 -38.05 36.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.839 -1.163 . . . . 0.0 109.28 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.55 -53.07 62.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.232 1.013 . . . . 0.0 113.308 172.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.22 -37.8 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 127.017 2.127 . . . . 0.0 113.726 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.24 71.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 112.881 172.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -35.55 34.91 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 176.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.78 -46.01 88.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 119.677 1.126 . . . . 0.0 112.388 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.27 -40.28 93.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -52.91 -61.81 2.06 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 119.971 1.26 . . . . 0.0 113.759 170.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.4 pt -79.94 -17.37 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -170.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.43 50.7 5.59 Favored Glycine 0 N--CA 1.43 -1.764 0 O-C-N 120.945 -1.097 . . . . 0.0 115.413 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.36 118.09 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 123.32 1.533 . . . . 0.0 107.242 159.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -101.94 158.12 16.37 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.501 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.496 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.296 7.4 t60 -79.86 -96.96 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 151.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.21 42.13 1.05 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.66 -2.525 . . . . 0.0 111.201 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.45 17.3 72.43 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 120.298 -1.501 . . . . 0.0 114.559 -162.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -114.76 158.28 22.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.728 -2.043 . . . . 0.0 107.236 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -70.54 144.9 51.16 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.818 0.818 . . . . 0.0 111.547 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.39 130.13 37.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 122.776 1.274 . . . . 0.0 110.988 -170.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.46 151.06 20.37 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.291 1.036 . . . . 0.0 109.685 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.96 -30.26 69.5 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.89 -50.79 26.23 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.603 -1.311 . . . . 0.0 113.318 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -68.21 -25.38 65.19 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.312 -2.118 . . . . 0.0 116.199 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.55 -54.55 21.65 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.759 -1.838 . . . . 0.0 113.547 163.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -68.11 -22.95 64.86 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.307 13.2 pttt -69.64 -48.78 58.72 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.64 -1.287 . . . . 0.0 114.297 166.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.272 30.4 pt -53.79 -49.41 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.84 2.109 . . . . 0.0 114.074 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -71.89 -35.54 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -87.8 -43.71 11.66 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.324 7.7 pt-20 -95.5 15.63 19.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.942 1.701 . . . . 0.0 115.309 -168.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -46.0 148.74 0.77 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.038 -1.664 . . . . 0.0 114.311 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 49.8 p -83.9 171.61 12.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 107.848 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.04 -36.4 69.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.756 -1.84 . . . . 0.0 110.796 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.74 -33.89 76.93 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.744 -1.848 . . . . 0.0 114.19 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.35 -34.91 76.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.123 -1.611 . . . . 0.0 114.263 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -76.14 -36.06 58.96 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.684 -1.885 . . . . 0.0 110.9 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -60.23 -38.13 82.46 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.636 -1.29 . . . . 0.0 111.945 169.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.659 1.183 . . . . 0.0 111.797 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.25 -44.73 87.21 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.985 -1.697 . . . . 0.0 112.745 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.71 -52.06 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.596 1.558 . . . . 0.0 114.905 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' B' ' 67' ' ' LYS . 25.7 m-20 -64.2 -36.01 82.68 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.998 1.319 . . . . 0.0 113.656 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.99 -16.52 24.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.587 -1.945 . . . . 0.0 114.191 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -138.29 77.1 1.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.157 -1.589 . . . . 0.0 108.269 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.37 -71.74 0.17 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.295 -2.128 . . . . 0.0 114.907 -165.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.57 -35.65 80.73 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.02 -1.05 . . . . 0.0 112.621 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 -57.11 20.77 Favored Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 126.056 1.789 . . . . 0.0 113.313 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.263 2.2 t80 -74.88 -39.16 61.67 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.791 -1.099 . . . . 0.0 111.958 -177.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -41.16 -64.16 0.59 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.31 -54.96 26.3 Favored Glycine 0 N--CA 1.43 -1.757 0 CA-C-O 122.102 0.835 . . . . 0.0 114.152 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' B' ' 16' ' ' SER . 14.2 m -65.76 -28.76 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.945 -1.915 . . . . 0.0 114.021 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -82.99 -16.12 48.48 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.664 1.186 . . . . 0.0 112.227 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -61.38 -47.63 84.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.676 -1.89 . . . . 0.0 112.232 159.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.74 -51.46 59.08 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.892 1.277 . . . . 0.0 108.679 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.08 -31.94 71.6 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -77.34 -42.68 35.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.603 -1.31 . . . . 0.0 113.543 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 16.0 ptp -76.64 -30.78 57.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.909 -1.744 . . . . 0.0 115.165 -168.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -82.11 5.61 19.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.634 -1.916 . . . . 0.0 113.618 -174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER -119.74 15.18 12.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.92 1.288 . . . . 0.0 108.491 173.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -73.39 130.48 40.23 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.43 -2.669 . . . . 0.0 109.228 166.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt . . . . . 0 N--CA 1.429 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 111.726 -169.227 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 119.588 -0.244 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 64.6 mmtt -111.43 -159.23 0.67 Allowed 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 120.774 -1.204 . . . . 0.0 107.894 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -75.6 -60.66 2.21 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.102 -2.249 . . . . 0.0 111.034 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -39.62 -39.73 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 128.659 2.783 . . . . 0.0 117.161 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.34 -50.24 74.73 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.854 2.062 . . . . 0.0 111.792 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.32 21.4 m -68.9 -30.82 69.39 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.02 -51.31 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 118.46 -2.65 . . . . 0.0 112.215 168.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.371 0.1 OUTLIER -61.15 -43.52 98.75 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.694 2.398 . . . . 0.0 112.852 -173.058 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.99 -28.8 63.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.125 -2.234 . . . . 0.0 114.534 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.13 -38.21 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 118.714 -2.491 . . . . 0.0 111.405 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -46.8 -40.73 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 129.237 3.015 . . . . 0.0 115.182 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -72.73 -46.46 53.42 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.723 -0.611 . . . . 0.0 111.359 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -52.63 -48.03 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.955 2.502 . . . . 0.0 114.778 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.26 96.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 112.755 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 p -66.21 -16.26 63.85 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.7 -49.34 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 121.037 1.744 . . . . 0.0 109.705 170.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.85 -34.99 75.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.688 -1.257 . . . . 0.0 113.451 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.4 mt -80.04 -23.66 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 119.43 -2.044 . . . . 0.0 113.131 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.63 76.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.617 1.567 . . . . 0.0 109.689 169.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -100.45 3.03 42.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.531 -1.356 . . . . 0.0 114.606 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t 60.07 46.67 10.47 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -118.57 33.12 5.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.497 2.319 . . . . 0.0 111.972 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.374 0.0 OUTLIER -56.16 -16.27 4.98 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 120.468 3.507 . . . . 0.0 120.468 178.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -42.28 -39.07 1.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.12 -42.71 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 O-C-N 120.253 -1.529 . . . . 0.0 110.621 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.5 -41.75 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 126.82 2.048 . . . . 0.0 113.967 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.6 pt-20 -70.37 -17.19 63.04 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -112.56 118.75 35.97 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 109.33 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -35.34 -54.12 0.65 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.734 2.814 . . . . 0.0 115.67 169.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.29 17.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -51.16 -36.95 43.61 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.34 1.056 . . . . 0.0 113.823 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.15 -61.31 2.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.514 1.526 . . . . 0.0 115.106 165.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -50.91 -39.24 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 128.384 2.674 . . . . 0.0 115.386 174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.72 70.18 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.519 -1.988 . . . . 0.0 114.344 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -39.22 67.64 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.005 2.122 . . . . 0.0 110.021 173.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.95 -36.68 70.54 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -75.67 -28.22 58.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 118.943 -2.348 . . . . 0.0 114.81 168.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.5 -56.26 19.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 120.308 1.413 . . . . 0.0 110.889 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -79.93 -24.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.63 4.09 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.236 -1.54 . . . . 0.0 115.408 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.45 104.35 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 119.13 1.465 . . . . 0.0 108.701 164.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -93.07 130.4 38.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.799 -1.188 . . . . 0.0 109.216 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.1 t60 -64.82 -80.51 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.19 57.67 0.61 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.356 -1.465 . . . . 0.0 107.251 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.39 19.97 49.21 Favored Glycine 0 N--CA 1.429 -1.785 0 N-CA-C 119.882 2.713 . . . . 0.0 119.882 -172.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -128.62 171.92 11.7 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.22 151.51 39.94 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.733 -1.23 . . . . 0.0 111.256 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -95.19 120.92 36.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.314 1.53 . . . . 0.0 111.473 -167.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -96.16 164.3 12.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.769 -169.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -78.54 -41.87 30.95 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.972 -1.705 . . . . 0.0 112.074 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -60.99 -61.32 2.66 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 125.729 1.612 . . . . 0.0 112.583 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -69.5 -9.99 56.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.66 -45.18 76.0 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.444 -2.035 . . . . 0.0 110.091 164.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -19.4 63.66 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.746 -1.221 . . . . 0.0 112.424 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.359 30.8 pttt -65.13 -49.89 68.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.363 -2.086 . . . . 0.0 115.948 158.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.276 29.4 pt -59.1 -49.93 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-N 120.688 1.585 . . . . 0.0 114.543 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.1 m -76.22 -34.78 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.095 -1.628 . . . . 0.0 114.883 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -82.25 -52.26 7.12 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.39 8.47 38.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 119.465 -2.022 . . . . 0.0 115.375 -161.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.7 mt -43.53 147.21 0.43 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.0 p -76.3 174.04 10.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.319 -0.863 . . . . 0.0 109.472 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.4 -37.97 77.75 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.616 -1.927 . . . . 0.0 110.595 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -56.48 -48.0 78.05 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.608 1.963 . . . . 0.0 113.519 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -55.79 -37.56 68.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.49 -33.67 31.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.468 -1.395 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.27 93.96 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.513 -1.367 . . . . 0.0 112.146 171.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -61.11 -33.22 73.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 123.673 0.789 . . . . 0.0 113.074 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.7 -37.1 62.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.245 -1.534 . . . . 0.0 113.431 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.81 -41.56 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 124.815 1.246 . . . . 0.0 112.521 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -65.8 -43.68 87.95 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -87.34 -41.71 13.42 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 110.68 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -112.79 61.22 0.63 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.074 1.75 . . . . 0.0 112.649 -172.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -53.88 -72.31 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.827 -2.421 . . . . 0.0 117.309 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.65 -39.04 84.59 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.139 -1.6 . . . . 0.0 111.578 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.42 -50.82 35.48 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 124.524 1.059 . . . . 0.0 114.645 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.297 0.1 OUTLIER -69.53 -46.51 66.32 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.057 -178.051 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -51.96 -39.63 59.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.0 2.182 . . . . 0.0 116.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.65 -71.21 0.81 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 120.762 -1.211 . . . . 0.0 116.051 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -23.67 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.69 -2.065 . . . . 0.0 114.606 -176.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -76.1 -17.52 59.57 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.522 -1.986 . . . . 0.0 114.935 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.215 -2.178 . . . . 0.0 110.415 163.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -69.4 -53.48 19.18 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.801 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.04 -56.51 19.89 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.7 -1.25 . . . . 0.0 111.483 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.36 -33.34 53.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.269 11.2 ptp -84.66 -32.57 23.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 112.816 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-85 -83.21 -2.86 56.6 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.624 -1.922 . . . . 0.0 111.818 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.312 1.6 t -134.32 42.3 2.88 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.025 1.393 . . . . 0.0 107.764 166.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -66.06 119.59 11.66 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.431 -1.418 . . . . 0.0 108.218 143.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.3 mttt . . . . . 0 N--CA 1.43 -1.432 0 O-C-N 121.054 -1.028 . . . . 0.0 111.285 -166.161 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.1 m120 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.429 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -133.87 171.51 14.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 126.31 1.844 . . . . 0.0 108.151 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.96 -59.97 3.04 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.575 -1.328 . . . . 0.0 112.378 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -39.95 -49.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.742 2.417 . . . . 0.0 114.858 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.12 -40.27 68.26 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.577 1.151 . . . . 0.0 113.015 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . 0.263 31.0 m -68.19 -42.08 80.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.027 -2.296 . . . . 0.0 113.704 171.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 t -49.78 -33.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.691 -2.506 . . . . 0.0 114.298 163.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -71.91 -47.14 54.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.009 1.323 . . . . 0.0 113.109 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.89 -33.99 71.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 121.062 -1.024 . . . . 0.0 113.066 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.85 -25.71 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.526 -2.609 . . . . 0.0 113.88 168.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.45 -47.81 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.433 -2.042 . . . . 0.0 112.63 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -65.91 -45.49 81.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.783 -1.198 . . . . 0.0 112.234 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -53.02 -46.76 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.602 1.961 . . . . 0.0 114.301 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.5 70.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.295 -2.128 . . . . 0.0 114.096 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.1 p -62.88 -29.48 70.79 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 171.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -55.49 -53.18 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.296 1.438 . . . . 0.0 110.936 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.07 -41.39 83.29 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.81 -34.54 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.414 1.485 . . . . 0.0 114.492 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.51 75.06 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.802 -1.811 . . . . 0.0 113.323 167.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -85.74 -3.76 58.98 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.487 -1.383 . . . . 0.0 113.742 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t 55.44 48.67 18.44 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.244 2.683 . . . . 0.0 118.244 -171.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -114.48 54.57 0.76 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.678 1.991 . . . . 0.0 111.215 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -73.72 -4.85 37.0 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.228 -2.17 . . . . 0.0 116.569 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.44 -32.81 28.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.945 2.098 . . . . 0.0 115.185 167.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.68 -39.95 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 125.075 1.35 . . . . 0.0 110.218 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -68.79 -45.98 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.388 0 C-N-CA 127.434 2.294 . . . . 0.0 112.263 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -58.85 -25.59 63.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -175.246 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -112.89 107.1 15.56 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -43.21 -31.61 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.75 -38.17 18.52 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.619 2.463 . . . . 0.0 111.921 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -63.14 -33.46 75.51 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.055 -1.653 . . . . 0.0 111.796 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.69 -54.61 32.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.101 2.16 . . . . 0.0 112.665 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.83 -41.98 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.608 2.363 . . . . 0.0 111.869 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.46 81.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 112.982 -3.487 . . . . 0.0 114.172 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.05 -41.62 62.47 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 128.022 2.529 . . . . 0.0 113.936 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.29 -45.95 69.13 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.714 -2.491 . . . . 0.0 114.325 169.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -73.4 -12.5 60.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.897 1.679 . . . . 0.0 115.059 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.62 -58.1 3.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.638 1.175 . . . . 0.0 112.022 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -88.07 -12.12 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.855 -1.153 . . . . 0.0 110.631 -166.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.93 36.23 4.81 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.688 -1.257 . . . . 0.0 116.171 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.254 1.9 t -74.86 90.67 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.817 1.294 . . . . 0.0 110.319 166.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.4 p -109.62 116.69 32.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.988 1.715 . . . . 0.0 108.645 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.429 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 23.9 t60 -64.97 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -165.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.17 57.38 0.66 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.485 -1.384 . . . . 0.0 107.268 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.16 -8.04 68.96 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 124.265 0.936 . . . . 0.0 114.805 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -114.73 156.1 25.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.954 -1.321 . . . . 0.0 110.719 -166.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -59.31 128.63 38.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.996 1.318 . . . . 0.0 111.563 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.04 130.13 34.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.759 1.266 . . . . 0.0 110.146 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -95.59 155.36 16.77 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.416 1.087 . . . . 0.0 109.676 -165.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -63.4 -40.6 97.64 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.967 -1.708 . . . . 0.0 112.917 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -67.9 -46.53 71.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.669 -1.269 . . . . 0.0 113.172 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -75.68 -14.49 60.35 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.403 -1.436 . . . . 0.0 113.327 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -71.58 -49.02 44.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.365 1.555 . . . . 0.0 109.166 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -25.26 60.48 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.759 -172.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 3.7 pttp -65.25 -61.87 1.88 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 116.556 -1.688 . . . . 0.0 113.804 160.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 34.7 pt -45.03 -45.07 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.41 -41.26 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -42.62 19.96 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.98 12.77 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.19 146.09 53.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.655 -1.903 . . . . 0.0 111.492 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 60.5 p -86.5 171.0 11.42 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.871 -1.143 . . . . 0.0 110.835 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.23 -50.53 72.58 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.128 0.971 . . . . 0.0 111.67 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.16 -38.17 79.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -63.29 -41.21 98.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.26 1.029 . . . . 0.0 113.148 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -77.89 -42.61 32.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.722 1.209 . . . . 0.0 109.835 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.84 -31.81 70.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.167 0.987 . . . . 0.0 112.787 170.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.9 m -61.96 -41.17 97.7 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 112.513 172.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.2 mt -73.41 -37.0 66.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.475 -1.391 . . . . 0.0 112.814 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.0 mt -49.3 -45.13 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.962 1.705 . . . . 0.0 113.688 167.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.93 -37.49 81.72 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.75 -40.45 9.36 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.117 -1.615 . . . . 0.0 113.535 -168.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.35 60.24 0.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 121.034 -1.041 . . . . 0.0 110.453 -167.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -41.96 -71.89 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -42.59 93.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 122.413 1.101 . . . . 0.0 113.723 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.46 -54.77 4.53 Favored Glycine 0 N--CA 1.431 -1.675 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.288 -161.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.278 0.2 OUTLIER -73.06 -36.84 66.96 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.191 -173.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -43.62 -57.38 3.19 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.546 1.976 . . . . 0.0 115.482 166.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -62.25 5.77 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 120.438 -1.414 . . . . 0.0 115.582 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.5 -20.93 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 118.1 -3.0 . . . . 0.0 112.941 -165.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -83.01 -16.42 47.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.568 -1.957 . . . . 0.0 112.795 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -62.93 -44.29 96.49 Favored 'General case' 0 N--CA 1.431 -1.388 0 O-C-N 118.864 -2.398 . . . . 0.0 112.174 158.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -69.78 -51.32 34.9 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.483 1.513 . . . . 0.0 108.594 -168.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.6 -28.18 69.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.843 -1.786 . . . . 0.0 112.9 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.05 -37.19 34.49 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.352 -2.093 . . . . 0.0 110.455 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 10.8 ptp -80.39 -11.92 59.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.422 -1.424 . . . . 0.0 113.32 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.0 m-85 -97.98 1.36 47.81 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.715 -1.241 . . . . 0.0 110.399 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.39 0.0 OUTLIER -144.13 61.61 1.35 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.619 -1.301 . . . . 0.0 111.614 173.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.63 103.91 15.64 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.501 -1.374 . . . . 0.0 110.365 155.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.422 0 C-N-CA 125.769 1.628 . . . . 0.0 111.014 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 25.8 mmtp -113.8 164.04 14.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.802 1.241 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -77.4 -57.98 3.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.049 -1.657 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tt -38.03 -51.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.199 2.6 . . . . 0.0 117.469 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.2 -27.76 62.26 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.89 2.476 . . . . 0.0 113.742 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.5 m -94.63 -27.37 15.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.986 -1.696 . . . . 0.0 109.237 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -64.2 -43.12 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 118.583 -2.573 . . . . 0.0 111.012 171.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -53.8 -53.06 57.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.835 3.654 . . . . 0.0 114.856 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' CD ' HH12 ' B' ' 9' ' ' ARG . 7.1 pt-20 -68.21 -35.22 77.63 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.7 -29.93 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 124.69 1.196 . . . . 0.0 109.952 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.27 -58.48 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 127.57 2.348 . . . . 0.0 111.853 167.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 1.1 p -52.93 -49.17 66.52 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -51.48 -48.68 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 168.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.947 1.356 . . . . 0.0 109.333 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.252 10.2 p -67.72 -22.26 65.25 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mm -61.31 -45.11 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 122.477 2.399 . . . . 0.0 111.142 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -32.02 73.29 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.972 -1.705 . . . . 0.0 113.075 176.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.262 86.0 mt -80.36 -36.3 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.056 -1.652 . . . . 0.0 110.967 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.69 -51.81 46.04 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.546 3.138 . . . . 0.0 113.738 168.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.56 -33.58 69.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.43 1.3 t 93.85 32.29 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.808 2.043 . . . . 0.0 114.805 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.89 42.14 1.41 Allowed 'General case' 0 N--CA 1.431 -1.403 1 C-N-CA 131.877 4.071 . . . . 0.0 112.507 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.331 0.0 OUTLIER -60.28 -23.98 64.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 173.345 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -46.61 -25.0 0.62 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.65 -41.26 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 CA-C-N 121.651 2.023 . . . . 0.0 113.434 167.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -68.54 -22.64 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.865 2.466 . . . . 0.0 112.686 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.58 -10.61 59.59 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -129.55 125.27 35.87 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.2 -1.563 . . . . 0.0 111.283 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -48.33 -57.57 5.82 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 128.222 2.609 . . . . 0.0 113.694 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.46 -15.26 62.32 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.91 -36.57 23.24 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.997 -1.689 . . . . 0.0 107.034 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.43 -48.73 76.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.015 1.726 . . . . 0.0 112.585 173.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -57.07 -42.83 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.493 -2.629 . . . . 0.0 114.836 172.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.31 70.62 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.345 -1.472 . . . . 0.0 114.712 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.255 5.7 t80 -72.71 -40.51 66.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.431 1.493 . . . . 0.0 111.241 173.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.26 -48.08 82.97 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.533 -1.98 . . . . 0.0 114.431 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -57.84 -48.92 78.37 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.559 -1.963 . . . . 0.0 114.246 170.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.93 -55.29 24.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -79.06 -16.81 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 119.688 -1.883 . . . . 0.0 113.843 -178.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.85 45.96 4.37 Favored Glycine 0 N--CA 1.43 -1.713 0 N-CA-C 116.026 1.17 . . . . 0.0 116.026 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -90.45 107.14 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 165.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -106.4 127.57 53.38 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.515 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.2 t60 -64.7 -79.91 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -171.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.52 46.67 1.02 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.313 -1.492 . . . . 0.0 108.359 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.13 19.82 17.92 Favored Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 117.954 1.942 . . . . 0.0 117.954 -163.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -127.76 168.65 14.82 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.58 153.47 31.91 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.386 -1.446 . . . . 0.0 113.742 -172.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.3 115.69 28.54 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-O 123.593 1.663 . . . . 0.0 109.166 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -100.3 177.07 5.16 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.837 1.255 . . . . 0.0 111.881 -168.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -77.15 -38.74 51.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.798 -1.814 . . . . 0.0 112.611 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -71.28 -47.52 56.41 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.056 0.942 . . . . 0.0 113.105 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.78 -23.41 63.34 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.799 -1.813 . . . . 0.0 115.149 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.42 -52.24 66.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 125.366 2.508 . . . . 0.0 112.73 165.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -64.66 -28.55 69.68 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.893 -1.755 . . . . 0.0 114.22 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.289 12.8 ptpt -62.19 -47.48 84.27 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.141 -2.224 . . . . 0.0 115.284 162.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.304 30.7 pt -60.2 -48.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.536 -1.977 . . . . 0.0 113.46 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.92 -41.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.9 m -86.66 -39.75 15.77 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.265 3.6 pt-20 -83.97 9.5 12.17 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 121.861 2.119 . . . . 0.0 114.435 -171.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.77 145.2 12.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.408 -1.432 . . . . 0.0 112.109 175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -82.87 164.86 20.24 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.09 -39.2 81.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.337 -2.727 . . . . 0.0 114.936 172.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.69 -25.57 65.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.47 -30.42 67.23 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.086 -1.634 . . . . 0.0 111.84 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -81.65 -48.16 12.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.351 -1.468 . . . . 0.0 108.39 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -48.33 -39.7 22.81 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 121.433 1.924 . . . . 0.0 115.994 164.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 m -60.85 -38.5 85.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.33 -40.26 89.78 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.582 -1.324 . . . . 0.0 112.321 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.25 -31.94 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 126.643 1.977 . . . . 0.0 114.259 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.91 -43.7 95.18 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.394 -2.066 . . . . 0.0 113.111 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.06 -29.25 17.44 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.28 76.85 1.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 104.256 -2.498 . . . . 0.0 104.256 -167.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -69.94 -67.99 0.45 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.414 -1.429 . . . . 0.0 110.342 -166.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.5 -46.9 87.48 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.977 1.711 . . . . 0.0 114.228 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.72 -60.76 7.51 Favored Glycine 0 N--CA 1.43 -1.7 0 C-N-CA 125.844 1.688 . . . . 0.0 115.292 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.254 0.7 OUTLIER -77.3 -27.84 53.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.726 -1.455 . . . . 0.0 109.982 -168.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.24 -60.12 3.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 122.748 2.522 . . . . 0.0 112.323 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -65.91 2.98 Favored Glycine 0 N--CA 1.43 -1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 114.314 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.251 33.5 m -70.34 -18.84 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.982 -2.481 . . . . 0.0 115.89 -168.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -86.57 -10.66 53.5 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.849 -1.782 . . . . 0.0 113.395 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -66.34 -42.35 88.25 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.808 -2.433 . . . . 0.0 111.13 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -72.87 -48.21 39.42 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.811 2.045 . . . . 0.0 110.998 -173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.058 -2.901 . . . . 0.0 114.03 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -71.86 -63.3 1.16 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.651 -1.281 . . . . 0.0 110.091 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.337 6.3 ptp -37.49 -40.66 0.39 Allowed 'General case' 0 N--CA 1.43 -1.465 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 173.118 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.84 7.49 23.75 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.226 0.921 . . . . 0.0 112.516 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.278 1.3 t -139.55 55.06 1.68 Allowed 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 123.841 1.781 . . . . 0.0 109.482 171.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.2 120.71 30.81 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.618 1.567 . . . . 0.0 110.245 166.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt . . . . . 0 N--CA 1.429 -1.476 0 C-N-CA 124.335 1.054 . . . . 0.0 108.278 173.06 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 N--CA 1.429 -1.484 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.467 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 40.5 mttm -112.84 -179.1 3.56 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 167.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -72.31 -37.16 69.0 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.228 -1.545 . . . . 0.0 112.175 175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -69.69 -45.24 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.483 1.913 . . . . 0.0 111.717 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.28 -33.4 69.39 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.246 1.818 . . . . 0.0 111.573 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.4 m -76.84 -49.04 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 112.599 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -48.78 -37.8 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.704 -1.873 . . . . 0.0 113.862 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.41 HH12 ' CD ' ' A' ' 10' ' ' GLU . 52.5 ttt-85 -64.38 -59.54 4.24 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 130.54 3.536 . . . . 0.0 110.58 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.63 -31.13 72.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -71.72 -28.38 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 118.257 -2.777 . . . . 0.0 113.886 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -54.29 -55.28 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.553 2.341 . . . . 0.0 113.231 173.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -64.28 -29.24 70.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.74 -36.77 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.943 -1.723 . . . . 0.0 111.867 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.75 60.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.419 -2.676 . . . . 0.0 113.356 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 80.3 p -58.58 -30.97 67.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.353 -2.092 . . . . 0.0 115.924 168.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mm -54.71 -48.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.436 1.494 . . . . 0.0 112.485 166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.74 -46.34 81.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.613 -1.304 . . . . 0.0 112.955 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.14 -35.36 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 119.59 -1.944 . . . . 0.0 115.239 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -39.53 31.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.648 1.567 . . . . 0.0 114.961 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -89.61 2.42 54.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.784 1.234 . . . . 0.0 113.386 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.5 t 58.68 38.36 25.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.498 2.319 . . . . 0.0 114.787 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -102.33 47.72 0.89 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.74 1.616 . . . . 0.0 110.331 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.392 0.0 OUTLIER -67.73 -16.33 64.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 176.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.42 -31.38 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 123.954 1.835 . . . . 0.0 110.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -77.03 -40.99 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.362 1.865 . . . . 0.0 112.457 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.67 -19.29 57.97 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -109.78 117.22 33.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -33.6 -54.28 0.44 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.677 3.191 . . . . 0.0 112.488 164.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.37 63.88 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -79.31 -24.2 43.0 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.321 -2.112 . . . . 0.0 111.13 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -69.09 -52.34 29.43 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.636 1.974 . . . . 0.0 111.844 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mt -57.24 -39.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.49 2.716 . . . . 0.0 112.812 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.23 -50.52 69.93 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.336 1.065 . . . . 0.0 109.545 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 25.9 t80 -52.63 -39.55 61.86 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 166.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.42 -39.09 92.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.256 -1.527 . . . . 0.0 112.79 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -76.52 -16.8 59.54 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 119.531 -1.98 . . . . 0.0 112.738 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.94 -61.97 1.62 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.739 1.616 . . . . 0.0 113.363 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.13 -12.64 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-O 123.083 1.42 . . . . 0.0 111.395 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.16 46.71 6.87 Favored Glycine 0 N--CA 1.429 -1.791 0 CA-C-O 116.789 -2.117 . . . . 0.0 116.094 172.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.36 130.68 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 123.457 3.629 . . . . 0.0 105.965 164.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -128.78 157.42 41.5 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.875 1.321 . . . . 0.0 110.664 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.467 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 49.1 t60 -80.82 -72.84 0.4 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.781 -1.2 . . . . 0.0 110.607 172.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -104.89 33.62 3.54 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.64 -1.913 . . . . 0.0 111.94 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.1 5.11 64.87 Favored Glycine 0 N--CA 1.43 -1.746 0 O-C-N 119.934 -1.728 . . . . 0.0 115.212 -170.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -105.89 163.2 12.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 117.998 0.899 . . . . 0.0 108.945 -171.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.55 117.09 8.26 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.74 124.61 27.56 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.903 1.335 . . . . 0.0 110.567 -163.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -87.92 162.42 16.91 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.94 -1.1 . . . . 0.0 112.693 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.05 -40.96 78.23 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.87 -1.769 . . . . 0.0 112.66 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -67.97 -43.81 78.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.117 1.767 . . . . 0.0 112.178 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.6 m -72.73 -27.34 61.98 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.0 -1.688 . . . . 0.0 113.791 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.17 -49.5 69.55 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.041 1.401 . . . . 0.0 110.35 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -68.84 -29.55 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.767 -1.208 . . . . 0.0 113.27 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.327 10.3 ptpt -60.93 -56.54 19.88 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 164.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.324 26.0 pt -50.0 -46.08 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.68 -43.88 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -77.18 -50.98 11.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.281 4.8 pt-20 -81.59 13.44 3.1 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -169.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.99 148.29 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 112.703 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -89.01 172.05 9.41 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.186 -1.571 . . . . 0.0 109.67 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.26 -45.93 76.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.572 -1.33 . . . . 0.0 113.111 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -61.7 -38.02 86.31 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.479 1.912 . . . . 0.0 114.123 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -63.41 -42.22 98.74 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.412 1.101 . . . . 0.0 112.994 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -73.87 -37.96 64.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.456 -1.402 . . . . 0.0 112.101 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.62 -37.39 75.78 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.531 0.733 . . . . 0.0 112.072 166.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -65.19 -37.74 88.28 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.164 -0.96 . . . . 0.0 112.665 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.62 -55.95 19.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.313 -1.492 . . . . 0.0 113.068 168.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.99 -46.13 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.478 1.911 . . . . 0.0 115.206 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.95 -36.33 81.1 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.362 -1.461 . . . . 0.0 114.894 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -103.93 -37.03 7.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.797 -1.814 . . . . 0.0 112.671 -168.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -113.07 70.11 0.71 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.536 1.534 . . . . 0.0 108.386 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -54.25 -66.93 0.31 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.494 1.517 . . . . 0.0 111.902 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.91 -47.48 65.68 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.45 1.5 . . . . 0.0 113.637 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.79 28.09 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 120.618 3.007 . . . . 0.0 120.618 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.251 0.1 OUTLIER -74.05 -33.05 63.57 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.92 1.86 . . . . 0.0 109.391 -172.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -55.03 -49.54 71.31 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.899 -1.751 . . . . 0.0 113.755 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.96 -70.09 1.09 Allowed Glycine 0 N--CA 1.43 -1.735 0 N-CA-C 114.982 0.753 . . . . 0.0 114.982 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.99 -21.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.5 -2.176 . . . . 0.0 115.534 -171.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -79.44 -19.17 50.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 120.298 1.408 . . . . 0.0 112.599 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.06 -44.27 96.27 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.873 -2.392 . . . . 0.0 111.18 162.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -65.03 -61.44 2.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 128.078 2.551 . . . . 0.0 109.374 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.77 -26.23 57.13 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.51 -1.994 . . . . 0.0 115.42 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -82.72 -36.52 25.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.424 -1.423 . . . . 0.0 109.926 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 9.9 ptp -80.63 -26.07 37.96 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -86.72 -8.37 57.47 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.878 -1.139 . . . . 0.0 112.283 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.316 14.6 t -141.28 69.56 1.34 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 122.768 1.27 . . . . 0.0 111.779 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -106.21 129.09 54.33 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 167.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mttm . . . . . 0 N--CA 1.43 -1.44 0 O-C-N 120.287 -1.508 . . . . 0.0 110.231 161.138 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.529 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 17.0 mtpp -115.56 -170.5 1.79 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -65.7 -55.83 15.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.446 1.499 . . . . 0.0 112.121 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 tt -41.36 -45.22 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -58.99 -53.36 59.28 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.37 1.868 . . . . 0.0 112.065 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -66.14 -32.7 74.3 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.382 -1.449 . . . . 0.0 114.363 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.39 -43.95 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.11 -2.869 . . . . 0.0 113.268 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.272 55.3 ttt180 -51.99 -58.02 7.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.992 2.917 . . . . 0.0 114.413 174.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.655 -1.278 . . . . 0.0 113.837 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.7 -39.69 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.111 -1.618 . . . . 0.0 111.226 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.8 mt -53.47 -40.08 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 127.262 2.225 . . . . 0.0 116.079 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 p -71.82 -41.02 68.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.957 -1.09 . . . . 0.0 111.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.31 -43.52 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.235 1.814 . . . . 0.0 114.999 168.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.99 95.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.07 -1.644 . . . . 0.0 112.043 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 p -70.83 -10.92 60.54 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 172.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.79 -51.27 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 120.179 1.354 . . . . 0.0 110.104 164.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.45 -33.35 75.36 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.601 -1.312 . . . . 0.0 112.344 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mt -77.44 -26.04 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.191 -1.568 . . . . 0.0 112.518 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.3 -44.98 96.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.747 -1.846 . . . . 0.0 113.369 164.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -87.53 -2.06 58.36 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.902 -1.749 . . . . 0.0 113.944 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t 64.8 41.82 4.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.461 1.904 . . . . 0.0 114.733 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -111.76 36.93 3.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.285 2.234 . . . . 0.0 110.735 174.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.388 0.0 OUTLIER -55.53 -24.26 31.0 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 176.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -33.78 -51.16 0.38 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 128.808 2.843 . . . . 0.0 117.274 163.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mt -66.82 -36.83 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.18 1.392 . . . . 0.0 112.203 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.45 -36.7 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.855 1.662 . . . . 0.0 113.264 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.263 1.6 pt-20 -67.2 -19.58 65.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 120.5 3.519 . . . . 0.0 120.5 -163.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -114.55 127.92 56.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.752 -1.843 . . . . 0.0 110.779 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -33.95 -61.95 0.33 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.738 3.215 . . . . 0.0 113.786 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.48 34.49 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -48.91 -38.26 22.19 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.96 -51.26 65.18 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.389 1.475 . . . . 0.0 114.941 170.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -51.07 -41.29 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 128.025 2.53 . . . . 0.0 114.822 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.25 93.89 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.736 -1.227 . . . . 0.0 113.112 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.0 -41.57 99.62 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.068 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.47 -44.45 76.48 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.163 -1.585 . . . . 0.0 114.564 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.39 -18.73 61.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.687 -1.883 . . . . 0.0 116.077 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -72.44 -50.52 25.66 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.312 -1.492 . . . . 0.0 109.911 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -7.56 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.771 -1.205 . . . . 0.0 113.282 -176.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.05 43.19 7.23 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 116.772 1.469 . . . . 0.0 116.772 173.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.02 123.87 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 119.302 1.551 . . . . 0.0 108.493 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -107.32 156.83 18.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.132 1.373 . . . . 0.0 109.713 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.339 4.1 t60 -73.87 -108.83 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 121.403 -0.81 . . . . 0.0 113.179 155.196 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CD ' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mp0 -93.02 54.11 2.1 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 118.42 -2.675 . . . . 0.0 110.968 -178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.06 22.74 73.33 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -129.17 156.71 43.49 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 169.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -81.21 153.45 27.18 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.093 -1.004 . . . . 0.0 109.922 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.48 128.38 44.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 123.045 1.402 . . . . 0.0 112.507 -144.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.26 157.67 17.02 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.159 -1.588 . . . . 0.0 112.21 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.02 -41.94 90.3 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.845 -1.784 . . . . 0.0 114.298 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -70.6 -45.57 65.04 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.154 1.382 . . . . 0.0 111.802 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -73.64 -18.65 61.01 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.42 -46.12 91.18 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 124.605 2.145 . . . . 0.0 111.042 163.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.46 -32.23 73.46 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.314 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.271 12.0 ptpt -65.47 -42.82 91.84 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.067 -1.645 . . . . 0.0 114.638 168.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 25.5 pt -62.15 -47.9 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.662 -1.274 . . . . 0.0 112.52 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.0 -38.04 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -78.88 -55.43 5.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.02 13.27 13.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.57 152.85 0.19 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.654 1.982 . . . . 0.0 115.225 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -82.98 174.28 11.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.72 -1.863 . . . . 0.0 109.354 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -70.79 -38.7 73.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.661 -1.899 . . . . 0.0 110.559 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.159 -2.213 . . . . 0.0 114.968 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -67.56 -30.07 69.61 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.601 1.191 . . . . 0.0 114.191 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.64 -38.54 47.6 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.35 -28.14 62.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.155 -1.591 . . . . 0.0 112.586 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.4 m -61.55 -40.97 96.6 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.844 -1.16 . . . . 0.0 113.287 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.07 -34.51 71.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.686 -1.259 . . . . 0.0 113.385 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.62 -36.8 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 112.423 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.49 -34.86 78.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.818 -2.426 . . . . 0.0 114.828 172.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -88.85 -25.42 22.18 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.424 -1.423 . . . . 0.0 114.125 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -146.93 70.08 1.19 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 119.626 -1.921 . . . . 0.0 106.757 -171.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -51.99 -71.68 0.06 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -167.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -33.2 62.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.047 1.339 . . . . 0.0 112.067 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -46.84 76.51 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 124.651 1.119 . . . . 0.0 114.455 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.387 0.2 OUTLIER -71.0 -45.11 64.55 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 119.523 1.662 . . . . 0.0 111.161 178.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -43.42 -52.47 5.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.701 2.046 . . . . 0.0 115.982 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.32 -60.33 6.43 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.974 -1.079 . . . . 0.0 114.839 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.2 m -69.12 -20.37 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 119.568 -2.137 . . . . 0.0 113.737 -171.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -80.78 -24.74 38.4 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.206 -1.559 . . . . 0.0 112.961 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.25 8.1 mmt-85 -62.84 -38.51 91.07 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.632 -1.918 . . . . 0.0 111.968 167.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.77 -59.88 4.5 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.729 1.612 . . . . 0.0 107.314 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.98 -29.94 65.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.77 -39.52 73.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.576 1.08 . . . . 0.0 112.506 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 ptp -85.81 -17.43 35.75 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.693 -1.254 . . . . 0.0 112.378 -165.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.6 m-30 -88.38 -5.37 58.33 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.232 2.213 . . . . 0.0 112.666 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.58 87.95 2.56 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 172.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.08 114.43 16.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.457 1.103 . . . . 0.0 108.92 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.429 -1.48 0 C-N-CA 124.829 1.252 . . . . 0.0 109.074 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.477 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 19.9 mtpp -115.47 -162.39 0.83 Allowed 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 121.954 0.883 . . . . 0.0 108.632 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.98 -51.86 42.51 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.612 -1.93 . . . . 0.0 110.418 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -54.74 -47.11 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 128.928 2.891 . . . . 0.0 113.904 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -62.06 -34.67 76.7 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.862 1.665 . . . . 0.0 112.637 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -74.08 -44.95 52.21 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 120.732 -1.23 . . . . 0.0 112.07 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t -53.1 -41.7 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.933 -2.354 . . . . 0.0 112.913 170.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -59.72 -53.57 56.41 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.036 2.134 . . . . 0.0 114.594 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.54 -37.17 86.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.88 -32.36 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.94 -1.725 . . . . 0.0 113.337 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.69 -54.12 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.006 2.122 . . . . 0.0 111.561 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -65.2 -31.88 73.27 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.477 1.511 . . . . 0.0 114.941 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.86 -40.51 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 CA-C-O 122.379 1.085 . . . . 0.0 113.068 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.65 53.2 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 119.209 -2.182 . . . . 0.0 112.551 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 92.5 p -64.66 -27.68 69.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 119.7 -1.875 . . . . 0.0 114.355 170.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.68 -46.94 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.254 1.022 . . . . 0.0 113.275 167.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.15 -40.52 81.58 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.192 -0.942 . . . . 0.0 111.991 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.4 -35.81 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.188 -1.57 . . . . 0.0 114.794 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -40.96 59.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.028 1.74 . . . . 0.0 113.549 168.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -90.67 7.95 36.84 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.4 t 52.88 41.97 31.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.504 2.322 . . . . 0.0 114.81 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -108.0 49.59 0.8 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.828 1.651 . . . . 0.0 109.748 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -70.94 -15.28 62.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.654 -1.904 . . . . 0.0 114.84 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.22 -33.75 54.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 167.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.72 -29.0 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.786 -1.196 . . . . 0.0 110.983 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.12 -41.81 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.548 1.539 . . . . 0.0 111.843 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.2 -2.44 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 130.695 3.598 . . . . 0.0 119.778 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.52 133.49 36.55 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.415 -2.053 . . . . 0.0 109.579 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -42.01 -63.48 0.73 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.316 2.646 . . . . 0.0 113.635 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.95 63.25 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -58.77 -25.6 63.22 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.86 -54.47 22.02 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.14 -38.89 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.313 3.445 . . . . 0.0 113.947 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.41 72.76 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.773 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.292 2.9 t80 -60.2 -36.68 78.2 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 171.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.41 -43.88 84.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.54 -1.975 . . . . 0.0 112.266 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -80.27 -9.29 59.73 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.292 -1.505 . . . . 0.0 114.602 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.56 -63.24 1.11 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.866 0.841 . . . . 0.0 109.925 164.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 pt -83.18 -22.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.757 -1.214 . . . . 0.0 114.19 -166.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.04 31.87 6.73 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 120.575 -1.328 . . . . 0.0 116.09 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.275 2.3 t -69.44 121.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 117.908 0.854 . . . . 0.0 111.568 167.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.9 p -109.11 154.2 22.63 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.853 -172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.477 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 4.6 t60 -73.26 -83.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.817 -1.177 . . . . 0.0 112.909 161.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.46 52.08 0.72 Allowed 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.747 -1.221 . . . . 0.0 111.735 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 16.25 76.05 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.758 -1.214 . . . . 0.0 115.142 -175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -134.57 155.23 50.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.931 1.692 . . . . 0.0 107.29 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -73.45 148.76 42.93 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.956 -1.715 . . . . 0.0 114.218 -169.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.86 124.64 40.89 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 122.602 1.192 . . . . 0.0 113.949 -162.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.64 157.07 16.68 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.054 1.742 . . . . 0.0 111.937 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -67.73 -44.8 76.72 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.753 -1.842 . . . . 0.0 115.736 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -72.87 -32.16 65.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.977 -1.702 . . . . 0.0 112.777 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 26.0 m -81.68 -20.56 39.28 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.728 1.611 . . . . 0.0 113.959 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -64.45 -46.16 84.31 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 123.635 1.683 . . . . 0.0 109.617 165.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.17 -34.37 77.39 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.56 -1.337 . . . . 0.0 112.337 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.344 12.9 ptpt -58.95 -52.35 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.313 43.0 pt -54.11 -38.2 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -89.31 -41.66 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -70.53 -56.78 5.74 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.655 -1.903 . . . . 0.0 113.406 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.34 15.2 pt-20 -86.63 12.21 11.12 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.091 1.885 . . . . 0.0 116.091 -168.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.4 mt -49.3 138.15 13.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.797 -1.19 . . . . 0.0 112.491 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 46.9 p -77.92 168.27 20.17 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.965 -1.709 . . . . 0.0 110.772 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.32 -42.19 95.1 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.162 -1.586 . . . . 0.0 111.774 173.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.33 -26.65 64.81 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.79 -39.27 76.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.456 -2.028 . . . . 0.0 111.803 169.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.7 -42.28 51.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.745 -1.847 . . . . 0.0 110.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -56.25 -35.08 67.0 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.234 1.014 . . . . 0.0 113.478 166.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.6 m -59.41 -45.12 92.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 118.915 0.779 . . . . 0.0 112.879 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.2 mt -66.74 -45.93 77.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.31 1.044 . . . . 0.0 112.527 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -50.18 -44.18 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.575 2.35 . . . . 0.0 113.781 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -61.0 -40.88 95.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.297 -1.502 . . . . 0.0 114.677 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -99.81 -29.46 12.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -166.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.26 75.3 0.92 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.219 -1.551 . . . . 0.0 109.722 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -60.51 -73.42 0.09 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -169.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.52 -35.42 73.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.673 -1.267 . . . . 0.0 112.351 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.58 -58.33 4.22 Favored Glycine 0 N--CA 1.43 -1.724 0 C-N-CA 124.692 1.139 . . . . 0.0 110.44 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.343 1.0 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.051 1.926 . . . . 0.0 111.419 -172.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.94 -54.13 13.74 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 122.767 2.53 . . . . 0.0 114.845 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.75 -58.85 9.75 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.899 -1.125 . . . . 0.0 115.424 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.26 -20.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.512 -2.758 . . . . 0.0 113.739 -169.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -72.93 -22.68 60.69 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.14 -2.225 . . . . 0.0 113.163 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -61.7 -48.16 82.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 115.95 -2.3 . . . . 0.0 112.526 162.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -65.52 -52.3 53.66 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.675 1.59 . . . . 0.0 110.817 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.99 -35.26 74.63 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.509 -1.995 . . . . 0.0 113.911 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.89 -37.91 58.35 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 118.955 -2.341 . . . . 0.0 111.632 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.3 ptp -80.38 -19.05 47.21 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 122.786 1.279 . . . . 0.0 114.406 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -85.21 -13.92 48.45 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.167 -1.583 . . . . 0.0 110.78 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -129.37 78.05 1.83 Allowed 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -91.71 117.96 30.23 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt . . . . . 0 N--CA 1.43 -1.433 0 O-C-N 120.951 -1.093 . . . . 0.0 108.866 -178.685 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 N--CA 1.429 -1.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -131.43 -163.27 1.31 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.522 1.529 . . . . 0.0 107.777 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -45.56 -52.46 10.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.199 2.999 . . . . 0.0 114.519 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -41.45 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.228 2.611 . . . . 0.0 113.328 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -66.07 -36.27 82.74 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.893 1.277 . . . . 0.0 113.701 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.9 m -74.71 -45.79 41.87 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.975 -1.703 . . . . 0.0 111.019 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -48.49 -36.5 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.139 1.776 . . . . 0.0 114.848 168.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -60.18 -60.1 4.36 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.027 2.131 . . . . 0.0 112.348 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.96 -30.63 71.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.8 -29.92 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.942 -2.349 . . . . 0.0 113.12 173.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -56.61 -56.76 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.12 -2.238 . . . . 0.0 113.542 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -54.58 -46.47 73.75 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.99 1.716 . . . . 0.0 113.513 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.62 -38.16 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 125.791 1.636 . . . . 0.0 113.093 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.16 60.08 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 117.771 -3.081 . . . . 0.0 113.038 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 p -59.76 -30.9 69.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.8 -48.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.836 1.654 . . . . 0.0 113.622 165.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.59 -46.47 80.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.96 -37.51 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.032 -2.292 . . . . 0.0 114.833 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -45.9 39.32 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.137 1.775 . . . . 0.0 113.711 166.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -84.74 8.8 15.85 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t 61.5 31.44 18.97 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 126.932 2.093 . . . . 0.0 114.482 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -110.91 51.51 0.77 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.624 1.57 . . . . 0.0 110.092 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -1.9 38.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.902 -1.749 . . . . 0.0 113.295 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -55.51 -40.18 71.45 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.062 2.545 . . . . 0.0 114.298 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.72 -37.45 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.007 1.723 . . . . 0.0 110.516 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.43 -35.89 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 126.111 1.764 . . . . 0.0 111.752 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.4 tt0 -57.55 1.94 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.23 147.78 29.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.637 -2.539 . . . . 0.0 108.977 168.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -55.49 15.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.886 1.675 . . . . 0.0 114.103 171.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.21 -52.92 56.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -166.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -50.64 -32.97 20.56 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.741 2.016 . . . . 0.0 115.314 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.85 -44.26 32.97 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 124.975 1.31 . . . . 0.0 111.986 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.96 -39.38 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 128.23 2.612 . . . . 0.0 113.025 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.28 64.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.562 1.173 . . . . 0.0 110.059 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.276 24.7 t80 -46.79 -44.3 19.06 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.589 2.441 . . . . 0.0 117.589 161.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -39.18 72.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.399 -2.063 . . . . 0.0 113.731 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -82.81 -20.47 35.68 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.822 -1.799 . . . . 0.0 112.46 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.08 -42.22 73.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.309 1.444 . . . . 0.0 114.213 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.08 -20.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 46.65 4.97 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 117.208 1.643 . . . . 0.0 117.208 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.93 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 123.339 3.57 . . . . 0.0 107.356 164.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -116.06 160.26 20.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.118 0.961 . . . . 0.0 109.482 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.305 8.7 t60 -76.67 -98.48 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.644 -1.285 . . . . 0.0 112.652 168.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -95.1 54.08 1.63 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.288 -2.132 . . . . 0.0 109.897 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.09 7.46 84.37 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 114.646 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.57 147.1 42.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.402 1.081 . . . . 0.0 111.104 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.54 126.78 29.95 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.63 1.572 . . . . 0.0 111.855 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.97 126.14 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.335 -1.478 . . . . 0.0 113.627 -157.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -85.35 147.38 26.55 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.889 1.676 . . . . 0.0 111.683 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -53.33 -48.84 68.11 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.048 2.139 . . . . 0.0 116.439 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -77.09 -35.37 56.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.122 -1.611 . . . . 0.0 112.219 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -80.13 -13.57 59.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -67.52 -50.13 60.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.656 1.983 . . . . 0.0 109.792 164.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -30.85 71.34 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.847 1.259 . . . . 0.0 111.419 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.434 13.1 ptpt -59.26 -63.97 1.11 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 160.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.313 30.8 pt -45.63 -42.16 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.63 -42.85 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 120.97 -1.081 . . . . 0.0 113.643 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -74.83 -47.12 32.18 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.866 1.667 . . . . 0.0 115.115 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.4 10.27 9.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -165.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.34 143.73 22.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.169 -1.582 . . . . 0.0 112.224 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 p -82.38 171.0 14.67 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.266 -2.146 . . . . 0.0 108.483 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.75 -44.33 73.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.708 -1.245 . . . . 0.0 112.863 171.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.54 -39.74 94.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.21 -38.61 83.88 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 126.645 1.978 . . . . 0.0 110.808 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.56 -42.68 41.92 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.916 2.086 . . . . 0.0 110.559 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -60.66 -30.86 70.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.906 -1.121 . . . . 0.0 113.376 167.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 m -63.09 -42.01 99.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.898 -1.127 . . . . 0.0 112.73 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.1 -44.63 83.77 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.695 -1.253 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.62 -44.5 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 120.272 -1.517 . . . . 0.0 114.883 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -55.16 -42.83 73.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.946 -1.721 . . . . 0.0 114.756 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.22 -34.51 11.61 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -119.84 51.84 1.15 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.488 -2.008 . . . . 0.0 110.552 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -39.52 -72.59 0.06 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.1 2.16 . . . . 0.0 116.532 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -71.32 -51.25 25.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.195 1.798 . . . . 0.0 112.737 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.37 93.82 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 118.477 -1.18 . . . . 0.0 114.942 -175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 1.0 OUTLIER -70.75 -45.81 64.12 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.122 -176.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.84 -54.07 3.52 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.417 2.371 . . . . 0.0 115.862 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.41 -60.33 7.21 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 114.848 0.699 . . . . 0.0 114.848 176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.16 -21.02 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 118.491 -2.77 . . . . 0.0 113.412 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -78.42 -23.8 46.49 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.693 -1.88 . . . . 0.0 113.632 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 mmm-85 -61.56 -40.6 95.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.478 1.49 . . . . 0.0 111.161 167.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.11 -50.68 53.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.842 1.657 . . . . 0.0 108.481 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.13 -46.69 87.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.004 -1.685 . . . . 0.0 111.298 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.99 -49.77 65.5 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.4 ptp -77.28 -20.31 55.26 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 121.124 -0.985 . . . . 0.0 113.563 -169.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.47 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.9 m-30 -88.44 -0.93 57.73 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.057 0.943 . . . . 0.0 111.979 -175.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.253 2.2 t -128.14 42.88 3.24 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 122.684 1.231 . . . . 0.0 108.033 167.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.22 118.05 23.36 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.975 -1.703 . . . . 0.0 108.89 160.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 N--CA 1.43 -1.455 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.741 -175.107 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 N--CA 1.43 -1.474 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.429 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 2.2 mptm? -120.21 -153.78 0.55 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.425 -2.047 . . . . 0.0 107.05 -166.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' B' ' 3' ' ' LYS . 28.5 p30 -61.1 -52.01 66.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.981 2.113 . . . . 0.0 115.828 174.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -52.9 -41.6 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.929 2.491 . . . . 0.0 115.586 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -65.63 -20.82 66.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.767 2.027 . . . . 0.0 112.642 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -78.88 -49.35 13.02 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.398 -1.439 . . . . 0.0 109.966 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.96 -37.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 119.009 -2.307 . . . . 0.0 114.063 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -49.63 -62.63 1.45 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 129.395 3.078 . . . . 0.0 112.516 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.98 -27.97 68.54 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mt -80.42 -29.76 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.263 -2.148 . . . . 0.0 112.194 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.69 -41.63 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.608 1.963 . . . . 0.0 113.308 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.5 p -75.96 -38.45 57.5 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 121.763 0.792 . . . . 0.0 113.097 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 t -51.46 -48.44 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-O 124.223 1.963 . . . . 0.0 113.938 163.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.74 62.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.57 -1.331 . . . . 0.0 110.537 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -74.28 -18.51 60.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.955 -1.716 . . . . 0.0 113.376 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-N 120.217 1.371 . . . . 0.0 110.402 164.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.55 -28.23 69.01 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.239 -2.163 . . . . 0.0 114.937 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.252 44.2 mt -77.26 -29.4 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 120.188 -1.57 . . . . 0.0 110.352 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.77 91.91 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.154 1.782 . . . . 0.0 114.134 170.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -94.38 8.98 40.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 119.925 -1.734 . . . . 0.0 113.812 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t 70.59 43.18 0.79 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.774 1.23 . . . . 0.0 113.886 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -121.34 31.83 6.17 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.87 2.468 . . . . 0.0 110.978 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.313 0.0 OUTLIER -61.9 -1.86 0.74 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 175.867 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.49 -26.96 63.84 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.417 -1.427 . . . . 0.0 112.084 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.56 -39.33 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.06 1.744 . . . . 0.0 111.127 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 t -74.72 -27.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.124 -1.61 . . . . 0.0 112.763 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -72.14 -11.81 60.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.329 2.252 . . . . 0.0 115.014 -171.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.76 124.11 21.96 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.92 -1.112 . . . . 0.0 110.049 170.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -49.61 60.76 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.102 1.761 . . . . 0.0 113.596 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.96 66.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 117.41 -3.306 . . . . 0.0 118.716 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.43 -32.1 26.26 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.791 -1.818 . . . . 0.0 111.018 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.79 -52.84 63.37 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.104 1.761 . . . . 0.0 111.3 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.58 -43.86 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 130.182 3.393 . . . . 0.0 113.534 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.63 68.68 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 174.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.12 39.21 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.081 173.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.0 -46.34 85.4 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.688 -1.882 . . . . 0.0 112.756 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -81.04 -9.2 59.86 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.443 -2.036 . . . . 0.0 113.768 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -70.87 -49.92 40.82 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.691 -1.256 . . . . 0.0 111.916 168.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.18 -12.62 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.484 -1.385 . . . . 0.0 114.21 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.97 43.28 6.04 Favored Glycine 0 N--CA 1.43 -1.756 0 N-CA-C 116.435 1.334 . . . . 0.0 116.435 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -96.68 127.57 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 119.353 1.577 . . . . 0.0 106.777 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -140.11 164.99 28.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.429 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 2.6 t60 -81.23 -67.81 0.75 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.93 0.871 . . . . 0.0 112.854 174.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -113.01 32.47 5.69 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.218 -1.551 . . . . 0.0 110.022 -170.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.05 15.72 60.96 Favored Glycine 0 N--CA 1.429 -1.776 0 O-C-N 119.788 -1.82 . . . . 0.0 115.511 -165.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -112.7 152.01 29.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.27 133.75 50.29 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.91 -1.744 . . . . 0.0 112.395 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -86.29 116.28 24.36 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.304 1.05 . . . . 0.0 109.757 -157.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.51 161.51 18.54 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -166.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.66 -42.21 78.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.396 -1.44 . . . . 0.0 114.577 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -71.59 -47.11 56.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.359 1.464 . . . . 0.0 111.931 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -70.33 -23.57 62.85 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.334 -2.104 . . . . 0.0 115.923 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.73 -51.9 67.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.773 -1.829 . . . . 0.0 112.147 163.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -65.85 -20.65 66.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.645 -1.284 . . . . 0.0 114.26 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER -68.81 -45.69 70.57 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.45 -2.031 . . . . 0.0 115.155 165.253 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.328 6.9 pt -57.12 -55.78 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 121.081 1.764 . . . . 0.0 112.741 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.46 -25.55 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -80.67 -49.13 11.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.18 11.4 9.95 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -160.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.64 146.34 25.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.471 1.508 . . . . 0.0 111.161 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -86.52 170.93 11.47 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.223 -1.548 . . . . 0.0 107.066 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -61.07 -40.78 94.98 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.252 -2.155 . . . . 0.0 112.43 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.41 -35.51 70.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.077 2.151 . . . . 0.0 115.305 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.31 -36.24 63.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.434 -1.416 . . . . 0.0 113.751 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -73.1 -44.83 59.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.745 -1.222 . . . . 0.0 109.935 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -52.66 -40.62 63.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 120.525 1.511 . . . . 0.0 114.048 164.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -59.7 -39.43 84.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 175.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.2 -45.6 66.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.353 -1.467 . . . . 0.0 112.991 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.23 -48.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.872 2.069 . . . . 0.0 113.099 171.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -59.44 -45.73 90.74 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.91 1.684 . . . . 0.0 114.692 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -100.21 -27.6 13.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.815 -1.178 . . . . 0.0 113.982 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.16 60.66 0.78 Allowed 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -53.47 -70.16 0.1 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.528 1.931 . . . . 0.0 114.989 -167.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -57.39 -56.51 20.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.775 1.63 . . . . 0.0 114.23 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.24 -50.77 62.0 Favored Glycine 0 N--CA 1.431 -1.672 0 C-N-CA 125.759 1.647 . . . . 0.0 115.394 -173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . 0.402 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.315 0.5 OUTLIER -78.43 -35.77 46.47 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.681 1.741 . . . . 0.0 111.823 -175.905 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -54.02 -55.24 29.16 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 122.759 2.527 . . . . 0.0 114.809 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.69 7.1 Favored Glycine 0 N--CA 1.43 -1.747 0 CA-C-O 122.837 1.243 . . . . 0.0 114.907 173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' B' ' 77' ' ' PHE . 16.2 m -64.91 -26.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.722 -2.046 . . . . 0.0 115.759 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.04 -15.5 58.87 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.806 -1.809 . . . . 0.0 112.912 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -63.68 -49.42 73.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.492 -2.005 . . . . 0.0 111.084 160.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -64.76 -59.76 3.87 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 126.558 1.943 . . . . 0.0 110.491 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -51.98 -36.38 49.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.841 -1.787 . . . . 0.0 114.956 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -77.37 -36.78 53.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.906 -1.121 . . . . 0.0 112.036 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.4 ptp -75.02 -29.09 60.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.832 -1.793 . . . . 0.0 113.427 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.35 12.78 13.19 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.464 1.506 . . . . 0.0 112.623 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.453 0.2 OUTLIER -126.88 9.88 6.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.172 1.389 . . . . 0.0 109.505 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -96.16 106.42 18.61 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 167.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . 0.458 ' HD3' ' H ' ' B' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.451 0 O-C-N 120.343 -1.473 . . . . 0.0 112.645 -159.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.46 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.57 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 12.9 mptt -111.21 -150.92 0.47 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.332 -1.48 . . . . 0.0 110.813 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -68.8 -52.14 33.36 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.602 -2.562 . . . . 0.0 112.956 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.02 -45.38 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.128 2.571 . . . . 0.0 113.166 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.16 -42.71 66.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.742 2.017 . . . . 0.0 115.129 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -83.49 -32.08 26.15 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 123.623 0.769 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.35 -38.28 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 O-C-N 119.333 -2.105 . . . . 0.0 113.06 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -66.56 -48.08 70.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.956 2.102 . . . . 0.0 113.528 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.96 -51.17 43.42 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.391 1.476 . . . . 0.0 112.034 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -77.43 -23.68 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.397 -1.439 . . . . 0.0 113.737 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.02 -62.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 118.475 -2.64 . . . . 0.0 112.178 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -59.11 -36.27 74.87 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.779 1.232 . . . . 0.0 112.628 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.86 -42.86 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.76 1.624 . . . . 0.0 114.93 169.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.24 -38.73 68.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 118.03 -2.919 . . . . 0.0 110.459 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -25.3 67.43 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 mm -55.97 -50.76 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 120.249 1.386 . . . . 0.0 110.505 164.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.97 -43.75 86.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 122.723 0.409 . . . . 0.0 111.743 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -76.93 -19.43 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 O-C-N 118.791 -2.443 . . . . 0.0 113.674 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -44.18 97.28 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.294 -2.754 . . . . 0.0 110.953 166.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.01 -2.56 44.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.216 1.806 . . . . 0.0 113.422 172.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 52.51 47.57 24.42 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -110.31 58.64 0.61 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.868 1.667 . . . . 0.0 110.875 168.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.351 0.0 OUTLIER -69.15 -11.17 60.56 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 178.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -35.69 26.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.149 2.58 . . . . 0.0 116.453 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mt -75.1 -33.68 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.283 -1.511 . . . . 0.0 111.108 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.45 -34.88 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.54 -1.35 . . . . 0.0 111.229 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -50.51 -13.75 0.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 129.765 3.226 . . . . 0.0 119.411 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.48 133.33 32.58 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.598 -1.939 . . . . 0.0 109.014 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -54.49 -48.03 72.32 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.659 1.184 . . . . 0.0 113.38 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.72 -51.64 68.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.357 -1.464 . . . . 0.0 114.505 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -54.35 -34.05 60.29 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -71.03 -49.43 45.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.564 1.546 . . . . 0.0 112.288 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.17 -42.38 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 129.06 2.944 . . . . 0.0 114.587 168.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.88 31.63 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.22 -42.36 14.11 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.011 2.124 . . . . 0.0 114.262 169.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.22 -45.57 75.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 120.353 1.433 . . . . 0.0 114.252 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -76.12 -23.33 54.87 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.726 -1.859 . . . . 0.0 113.764 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.95 -47.1 72.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.353 -1.467 . . . . 0.0 112.899 171.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.8 pt -82.5 -19.98 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 O-C-N 120.731 -1.231 . . . . 0.0 112.578 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.15 24.77 13.87 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-O 117.968 -1.462 . . . . 0.0 116.365 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.61 125.43 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.948 3.874 . . . . 0.0 109.832 172.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -107.89 157.34 18.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.57 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.254 7.9 t60 -79.84 -96.73 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.244 -0.91 . . . . 0.0 112.847 169.235 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -91.58 50.1 1.67 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.757 -1.84 . . . . 0.0 110.199 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.34 -0.34 69.01 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.847 -1.158 . . . . 0.0 114.949 -170.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -125.89 169.33 12.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.972 -1.311 . . . . 0.0 110.449 -167.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -67.8 127.05 31.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.73 120.38 27.09 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.357 1.551 . . . . 0.0 111.594 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -100.0 175.59 5.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.295 1.438 . . . . 0.0 112.298 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -72.91 -46.63 51.53 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.053 -1.654 . . . . 0.0 113.707 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -66.33 -43.92 84.76 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.205 1.402 . . . . 0.0 111.912 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -74.14 -18.33 60.8 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.506 1.522 . . . . 0.0 114.137 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -70.37 -46.43 64.09 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 123.669 1.7 . . . . 0.0 110.676 169.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -63.1 -35.4 80.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.272 -2.142 . . . . 0.0 112.166 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -25.1 62.97 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 174.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.36 40.4 pt -68.0 -45.33 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 121.1 -1.0 . . . . 0.0 113.54 168.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.72 -43.51 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -78.51 -55.23 5.37 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -167.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.24 11.76 2.7 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.003 2.224 . . . . 0.0 117.003 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.11 148.99 7.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 126.129 1.771 . . . . 0.0 114.7 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.4 p -89.91 172.87 8.57 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.42 -1.425 . . . . 0.0 109.439 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -58.57 -45.24 89.43 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.228 -1.545 . . . . 0.0 112.331 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.89 -35.22 77.69 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.53 -43.52 89.75 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.42 1.105 . . . . 0.0 112.267 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -72.84 -47.25 47.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.693 -1.254 . . . . 0.0 110.195 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.98 -37.98 55.01 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.037 1.335 . . . . 0.0 113.288 167.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.7 m -60.46 -44.28 96.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 112.501 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 mt -71.24 -38.99 71.93 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.717 -1.239 . . . . 0.0 112.964 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -56.12 -47.66 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.371 1.469 . . . . 0.0 112.906 170.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.39 -40.5 94.56 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.54 -29.9 17.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.615 -1.303 . . . . 0.0 113.512 -174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.48 56.57 1.36 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -50.62 -58.46 5.78 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.332 -2.105 . . . . 0.0 114.596 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 -46.42 81.78 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 124.023 1.868 . . . . 0.0 113.92 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.25 -50.1 6.98 Favored Glycine 0 N--CA 1.43 -1.751 0 O-C-N 120.863 -1.148 . . . . 0.0 113.57 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.265 1.6 t80 -75.7 -32.62 60.16 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.084 -1.245 . . . . 0.0 110.746 -173.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.62 -50.91 62.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.073 2.215 . . . . 0.0 114.096 167.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.48 -70.4 1.02 Allowed Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.369 -1.457 . . . . 0.0 114.727 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -67.68 -21.72 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.068 -2.43 . . . . 0.0 115.389 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -80.44 -21.53 42.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 120.607 1.548 . . . . 0.0 112.578 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.2 mmt-85 -62.61 -37.35 85.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 115.911 -2.316 . . . . 0.0 113.248 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.48 -51.81 13.76 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.226 1.41 . . . . 0.0 107.839 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.65 -41.31 97.33 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.697 -1.877 . . . . 0.0 111.967 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.62 -35.94 75.7 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.583 -1.948 . . . . 0.0 114.061 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -72.66 -29.61 63.58 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.196 -1.565 . . . . 0.0 113.824 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -85.67 -7.82 58.58 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.575 1.15 . . . . 0.0 110.132 -175.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.28 5.8 t -147.06 55.53 1.11 Allowed 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.709 1.242 . . . . 0.0 110.605 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -78.83 116.33 19.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 151.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt . . . . . 0 N--CA 1.43 -1.464 0 O-C-N 120.51 -1.368 . . . . 0.0 111.521 -175.22 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.543 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 14.2 mptt -122.86 -140.68 0.32 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.069 -2.567 . . . . 0.0 104.069 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.41 -55.05 6.88 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 118.648 -2.532 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tt -53.82 -40.47 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 126.664 1.986 . . . . 0.0 114.887 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -68.23 -22.03 64.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.856 1.662 . . . . 0.0 115.102 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -87.31 -34.48 18.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.635 1.207 . . . . 0.0 111.764 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.79 -38.85 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 124.371 1.069 . . . . 0.0 108.722 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -51.56 -61.13 2.44 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 130.976 3.711 . . . . 0.0 112.603 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.31 -31.55 63.8 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.56 -26.18 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.232 -1.542 . . . . 0.0 110.681 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mt -60.58 -43.21 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 127.142 2.177 . . . . 0.0 113.564 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -76.21 -40.83 51.25 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.087 0.47 . . . . 0.0 112.195 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.4 -44.03 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.462 1.505 . . . . 0.0 113.625 161.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -29.91 65.01 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.53 0.681 . . . . 0.0 111.617 -175.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.8 p -73.95 -18.28 60.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.266 -2.146 . . . . 0.0 115.597 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.4 -48.78 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.574 1.654 . . . . 0.0 110.927 168.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.808 -1.182 . . . . 0.0 113.093 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.276 21.9 mt -72.94 -36.67 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 O-C-N 120.879 -1.138 . . . . 0.0 112.261 171.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.51 76.78 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.97 1.708 . . . . 0.0 114.069 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -92.93 1.03 57.51 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.247 -1.533 . . . . 0.0 115.051 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t 71.83 39.39 0.85 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.869 1.318 . . . . 0.0 113.453 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -113.8 38.66 2.89 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.912 2.085 . . . . 0.0 109.476 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -6.33 8.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.69 1.596 . . . . 0.0 114.603 169.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.25 -39.51 90.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.349 2.26 . . . . 0.0 112.31 165.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.3 mt -69.4 -34.91 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.871 1.668 . . . . 0.0 110.244 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -72.66 -32.47 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 O-C-N 120.39 -1.443 . . . . 0.0 113.536 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -24.76 67.02 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.765 2.426 . . . . 0.0 117.398 -166.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.9 133.7 50.62 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 111.309 169.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -48.03 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.717 1.607 . . . . 0.0 112.733 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.7 62.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.273 -2.767 . . . . 0.0 117.031 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -82.65 -35.0 27.28 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.19 -1.569 . . . . 0.0 109.618 171.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -66.89 -49.53 65.32 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.102 2.561 . . . . 0.0 111.109 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.77 -44.3 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 129.321 3.048 . . . . 0.0 112.423 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.88 64.02 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.831 -1.793 . . . . 0.0 111.935 176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.44 -33.08 54.9 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.773 -1.204 . . . . 0.0 110.764 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.22 -47.08 75.83 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.187 -2.196 . . . . 0.0 111.346 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.95 -15.52 59.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.21 -45.46 66.54 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 120.891 1.678 . . . . 0.0 112.005 165.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.4 pt -88.58 -25.0 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.26 50.01 5.63 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 118.097 1.999 . . . . 0.0 118.097 -173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -90.33 129.45 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 157.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -119.54 163.72 16.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.714 0.806 . . . . 0.0 110.961 -170.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.543 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.271 20.7 t60 -79.66 -98.53 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 161.294 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -95.92 59.41 2.0 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.013 -2.304 . . . . 0.0 109.62 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.34 6.53 34.29 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 120.551 -1.343 . . . . 0.0 114.112 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -104.56 148.12 26.85 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.831 2.815 . . . . 0.0 105.47 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.1 135.4 53.54 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.171 -0.956 . . . . 0.0 109.383 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.24 120.86 31.75 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.201 -1.562 . . . . 0.0 110.987 -154.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -82.44 162.0 22.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.555 -0.716 . . . . 0.0 111.571 -167.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.35 -44.76 90.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.238 -1.538 . . . . 0.0 113.341 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -65.55 -47.74 74.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.9 0.88 . . . . 0.0 112.313 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 4.7 m -71.28 -21.93 62.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.618 1.567 . . . . 0.0 115.129 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.23 -55.98 13.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.251 1.5 . . . . 0.0 112.031 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.8 -30.66 70.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.502 1.521 . . . . 0.0 112.807 -175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -66.11 -47.97 72.41 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.082 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.347 31.3 pt -59.01 -48.05 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 120.368 1.44 . . . . 0.0 114.133 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.18 -33.32 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -83.22 -44.87 14.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.38 10.56 8.43 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -166.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.87 149.64 26.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.736 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -89.94 170.93 9.95 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.278 -1.514 . . . . 0.0 108.124 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -57.57 -41.97 82.14 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.533 -1.98 . . . . 0.0 113.641 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.78 -36.82 82.18 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.67 -31.7 68.71 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.655 -1.278 . . . . 0.0 112.615 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -73.62 -54.48 8.05 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.974 1.31 . . . . 0.0 108.937 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.64 -41.59 6.77 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.651 1.581 . . . . 0.0 114.373 168.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -58.61 -43.67 89.7 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.011 0.91 . . . . 0.0 113.225 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.14 -38.71 66.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.08 -1.638 . . . . 0.0 112.576 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -56.64 -47.28 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.058 1.743 . . . . 0.0 113.196 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -65.48 -43.43 90.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 124.928 1.291 . . . . 0.0 114.115 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.78 -36.98 12.01 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.08 58.59 0.61 Allowed 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.574 -1.954 . . . . 0.0 109.517 -172.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -52.68 -66.78 0.33 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.404 1.882 . . . . 0.0 115.313 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -49.77 -61.76 1.94 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.659 1.584 . . . . 0.0 114.864 173.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.23 -57.1 20.04 Favored Glycine 0 N--CA 1.43 -1.729 0 C-N-CA 125.594 1.569 . . . . 0.0 114.974 -170.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.15 -29.75 54.7 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 118.455 1.128 . . . . 0.0 111.203 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -53.63 -56.88 13.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.435 1.925 . . . . 0.0 112.846 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.03 -61.0 7.85 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 115.226 0.851 . . . . 0.0 115.226 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.1 m -66.65 -28.18 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 120.221 -1.753 . . . . 0.0 115.046 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -76.34 -14.87 60.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.677 -1.889 . . . . 0.0 112.685 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -64.09 -49.72 71.13 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.287 -2.133 . . . . 0.0 111.252 160.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.41 -61.17 2.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.953 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 69.7 mt -55.57 -34.65 64.97 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.499 1.92 . . . . 0.0 113.81 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.4 -41.8 46.57 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 120.51 1.504 . . . . 0.0 111.779 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 14.3 ptp -71.73 -31.64 66.92 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.897 -1.752 . . . . 0.0 113.122 -172.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.26 -2.34 52.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.141 1.377 . . . . 0.0 111.766 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.354 2.4 t -144.26 42.74 1.41 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.391 1.567 . . . . 0.0 110.692 170.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -92.17 120.13 32.47 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 154.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.413 0 O-C-N 121.674 -0.641 . . . . 0.0 109.82 -164.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.1 m120 . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 121.932 0.872 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.474 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -131.99 -142.64 0.22 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 176.311 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -92.66 -46.29 7.66 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.396 -2.065 . . . . 0.0 109.96 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 tt -40.76 -49.44 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 128.762 2.825 . . . . 0.0 116.079 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -54.85 -33.24 61.56 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.733 3.213 . . . . 0.0 113.649 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -95.62 -31.19 13.39 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.721 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 t -57.96 -42.13 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 116.687 -3.758 . . . . 0.0 112.334 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.15 8.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 130.451 3.5 . . . . 0.0 113.376 -178.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.93 -23.34 65.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.42 -29.27 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 118.539 -2.601 . . . . 0.0 110.84 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -60.95 -44.35 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.051 2.14 . . . . 0.0 112.089 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 p -60.55 -51.2 70.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 123.116 0.566 . . . . 0.0 111.967 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -48.5 -53.08 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 165.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.47 78.21 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.922 1.82 . . . . 0.0 110.082 -172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.272 60.4 p -71.21 -12.32 61.4 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 117.65 -3.156 . . . . 0.0 116.113 171.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.5 mm -69.07 -43.75 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-O 123.737 1.732 . . . . 0.0 111.205 164.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.96 -28.39 65.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 119.247 -2.158 . . . . 0.0 112.079 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.27 8.7 mt -74.85 -42.53 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.868 -1.145 . . . . 0.0 110.382 171.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -37.43 -55.38 1.06 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.035 2.534 . . . . 0.0 115.507 168.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -83.62 3.8 31.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.537 1.935 . . . . 0.0 114.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 3.3 t 60.09 44.09 13.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.158 1.783 . . . . 0.0 115.352 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 25' ' ' ASP . 18.8 mmm180 -115.24 35.06 4.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.843 2.457 . . . . 0.0 110.631 177.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -61.26 4.98 0.07 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 129.379 3.072 . . . . 0.0 117.6 176.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 23' ' ' ARG . 2.9 m-20 -78.78 -33.93 45.97 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 127.613 2.365 . . . . 0.0 111.181 173.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.47 -46.88 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-O 122.967 1.365 . . . . 0.0 111.142 171.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.97 -24.6 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.518 1.527 . . . . 0.0 110.713 -172.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 33.3 tt0 -59.68 -23.31 63.0 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -108.59 130.97 55.3 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.399 -2.063 . . . . 0.0 110.168 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -47.48 -55.26 9.44 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.394 2.278 . . . . 0.0 113.613 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.71 -53.24 10.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.625 -2.547 . . . . 0.0 117.235 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -38.97 -42.58 0.88 Allowed 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -63.79 -48.41 77.02 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.693 1.997 . . . . 0.0 113.921 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.25 -43.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 128.756 2.822 . . . . 0.0 114.127 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.63 99.36 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.282 -2.136 . . . . 0.0 113.027 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.301 25.7 t80 -59.1 -41.02 87.1 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.215 2.206 . . . . 0.0 112.909 170.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.05 -48.33 73.61 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.292 -1.505 . . . . 0.0 113.717 169.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -66.98 -36.99 83.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.505 -1.372 . . . . 0.0 113.868 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -55.03 -56.4 20.21 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.829 -1.794 . . . . 0.0 115.376 170.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 pt -83.86 -21.98 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.25 48.53 3.27 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 117.407 1.723 . . . . 0.0 117.407 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.21 132.22 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 120.235 2.017 . . . . 0.0 108.705 166.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -127.67 140.41 52.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.757 -1.215 . . . . 0.0 109.7 -171.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.474 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.275 36.7 t60 -74.84 -92.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.152 -1.592 . . . . 0.0 112.426 169.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -92.19 46.26 1.25 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.758 -1.839 . . . . 0.0 109.272 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.7 26.11 66.4 Favored Glycine 0 N--CA 1.431 -1.686 0 O-C-N 118.509 -2.619 . . . . 0.0 117.756 -168.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -131.12 166.46 21.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.452 1.501 . . . . 0.0 107.618 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -72.53 157.8 36.92 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.851 -1.781 . . . . 0.0 110.967 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.71 126.65 48.6 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.116 -1.615 . . . . 0.0 109.189 -170.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -93.23 164.88 13.07 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -169.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -72.54 -43.15 63.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 119.91 -1.744 . . . . 0.0 113.011 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -69.13 -44.96 71.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.376 1.07 . . . . 0.0 113.827 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.1 m -68.1 -24.31 65.02 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.68 -45.35 68.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.02 -2.3 . . . . 0.0 109.897 168.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -63.78 -39.73 94.96 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.253 -1.529 . . . . 0.0 113.706 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.267 26.3 pttt -56.96 -41.29 78.05 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.041 -1.662 . . . . 0.0 115.336 169.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.347 44.2 pt -63.08 -42.55 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 O-C-N 119.772 -1.83 . . . . 0.0 114.722 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.06 -44.05 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -75.81 -53.89 7.78 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.432 8.9 pt-20 -85.75 15.52 4.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.366 2.358 . . . . 0.0 117.366 -168.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -48.48 157.94 0.31 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.161 -1.587 . . . . 0.0 114.399 170.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.423 ' HG1' ' CG ' ' A' ' 65' ' ' ASP . 14.4 p -83.03 171.54 13.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.871 -1.768 . . . . 0.0 109.291 171.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -63.82 -48.99 74.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.869 -2.395 . . . . 0.0 113.514 166.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.38 -40.06 73.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.834 1.253 . . . . 0.0 113.772 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 14.1 m-20 -48.8 -44.03 38.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 168.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -85.09 -27.16 26.48 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.341 -1.475 . . . . 0.0 108.614 -172.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.29 -34.6 59.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 107.887 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -60.19 -52.52 64.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.601 1.16 . . . . 0.0 113.27 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.71 -42.62 65.01 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 166.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.76 -44.78 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.216 -2.177 . . . . 0.0 112.575 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -57.69 -30.27 65.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -112.17 -20.76 11.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -122.91 55.44 1.19 Allowed 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.947 -2.345 . . . . 0.0 106.95 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -53.14 -68.09 0.2 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 123.101 1.429 . . . . 0.0 114.848 -160.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.06 -40.75 78.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.35 -51.92 34.59 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 125.478 1.514 . . . . 0.0 114.001 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.8 -34.58 62.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.447 1.123 . . . . 0.0 110.13 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.39 -57.38 3.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.152 -2.217 . . . . 0.0 113.671 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.18 -63.5 4.5 Favored Glycine 0 N--CA 1.431 -1.681 0 O-C-N 120.013 -1.679 . . . . 0.0 114.212 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.97 -24.48 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.51 -2.17 . . . . 0.0 113.731 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.43 -7.24 59.03 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.891 1.678 . . . . 0.0 112.6 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -66.45 -54.89 19.0 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 117.59 -3.194 . . . . 0.0 111.446 153.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.417 ' HD1' ' H ' ' A' ' 83' ' ' TYR . 6.1 m-85 -49.18 -51.95 29.54 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.102 2.161 . . . . 0.0 113.299 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.67 -29.16 64.29 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.093 -2.254 . . . . 0.0 111.676 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.31 -61.07 2.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.255 1.022 . . . . 0.0 111.094 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.29 11.5 ptp -55.78 -50.1 71.38 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -174.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 8.2 m-85 -54.43 -13.53 0.96 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 170.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 3.5 t -128.94 39.96 3.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.395 -1.44 . . . . 0.0 109.564 168.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -82.2 126.06 31.64 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 149.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt . . . . . 0 N--CA 1.431 -1.406 0 O-C-N 121.431 -0.793 . . . . 0.0 108.919 -175.823 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.523 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.1 OUTLIER -135.55 -157.2 0.78 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 177.251 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -74.45 -29.33 61.43 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.577 -1.952 . . . . 0.0 114.316 -170.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.08 -39.92 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.578 1.951 . . . . 0.0 108.674 -165.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.85 -35.41 57.45 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.351 2.661 . . . . 0.0 112.834 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -55.85 8.64 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.383 1.073 . . . . 0.0 109.53 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.62 -40.67 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.144 1.378 . . . . 0.0 112.567 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' B' ' 10' ' ' GLU . 12.4 ttt-85 -50.74 -64.89 0.67 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.852 3.661 . . . . 0.0 114.481 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' B' ' 9' ' ' ARG 0.298 14.0 pt-20 -63.73 -34.88 78.86 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 176.262 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.38 -26.98 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 119.112 -2.242 . . . . 0.0 113.465 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.37 -57.87 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.341 2.656 . . . . 0.0 112.8 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -59.8 -30.72 69.1 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 128.632 2.773 . . . . 0.0 113.851 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.79 -41.19 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 168.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -36.98 54.78 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 118.506 -2.622 . . . . 0.0 110.612 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.291 86.1 p -61.24 -29.2 69.69 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 169.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 24.2 mm -44.93 -56.06 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-N 121.668 2.031 . . . . 0.0 114.222 156.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.88 -41.43 97.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mt -71.73 -22.49 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.044 -2.285 . . . . 0.0 114.361 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.69 76.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.164 -2.21 . . . . 0.0 111.164 169.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -69.68 -30.71 68.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.412 -0.805 . . . . 0.0 113.146 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.308 5.0 t 94.85 44.06 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.389 2.275 . . . . 0.0 111.363 170.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -115.68 58.71 0.73 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.043 2.137 . . . . 0.0 111.067 169.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -64.86 -11.04 33.13 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 177.055 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -39.26 16.07 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.551 2.34 . . . . 0.0 116.783 166.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.12 -34.17 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 119.378 -2.076 . . . . 0.0 111.673 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.6 -35.07 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.087 1.355 . . . . 0.0 110.081 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -54.93 -20.7 9.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.994 2.918 . . . . 0.0 116.657 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -129.91 128.0 41.28 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.259 -2.15 . . . . 0.0 107.662 173.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -50.25 -45.81 54.45 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.226 1.41 . . . . 0.0 113.395 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -54.93 39.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -53.67 -32.09 50.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -68.97 -51.43 39.56 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.19 1.396 . . . . 0.0 113.163 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.8 mt -54.89 -38.62 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 129.229 3.012 . . . . 0.0 113.2 172.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.1 -57.59 12.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.455 1.502 . . . . 0.0 110.746 173.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -47.55 -42.42 23.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.565 1.546 . . . . 0.0 114.849 166.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -33.47 74.19 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.434 -2.041 . . . . 0.0 114.395 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -76.97 -28.1 55.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.986 -1.696 . . . . 0.0 113.246 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.59 -54.81 12.25 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.182 -1.574 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 16.5 pt -80.07 -18.7 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 111.362 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.79 10.45 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 118.966 2.346 . . . . 0.0 118.966 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.82 107.22 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 CA-C-N 123.167 3.483 . . . . 0.0 108.992 167.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.3 p -109.84 113.61 26.48 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.523 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 21.6 t60 -65.54 -62.79 1.32 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.01 44.06 1.19 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.789 -1.819 . . . . 0.0 110.776 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.62 9.81 82.54 Favored Glycine 0 N--CA 1.431 -1.654 0 N-CA-C 114.854 0.702 . . . . 0.0 114.854 -169.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -117.45 144.06 45.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.424 1.49 . . . . 0.0 108.424 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -77.85 162.41 26.89 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.112 -1.618 . . . . 0.0 112.213 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.6 128.96 38.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 114.13 -167.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -92.52 160.59 14.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.088 1.755 . . . . 0.0 108.827 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -70.12 -42.88 72.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.985 -1.697 . . . . 0.0 114.506 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -66.33 -40.36 89.83 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -73.22 -25.93 60.94 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.64 1.576 . . . . 0.0 111.858 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -71.8 -43.14 66.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.171 0.988 . . . . 0.0 109.41 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -68.12 -34.06 75.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.181 -1.575 . . . . 0.0 112.248 -176.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.272 28.4 pttt -65.88 -45.33 82.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 171.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 28.7 pt -55.15 -37.22 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 m -83.28 -38.51 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -89.33 -40.98 12.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.3 9.85 27.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.198 1.817 . . . . 0.0 112.938 -163.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.91 152.54 7.29 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.14 2.576 . . . . 0.0 112.427 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.7 p -82.01 171.77 14.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -69.3 -41.37 76.88 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.472 -1.392 . . . . 0.0 111.352 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.62 -47.56 40.07 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 127.567 2.347 . . . . 0.0 115.129 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.05 -34.6 70.27 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.376 1.56 . . . . 0.0 113.978 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -83.34 -42.13 17.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.163 -1.586 . . . . 0.0 110.196 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -55.0 -39.14 68.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.307 -1.496 . . . . 0.0 113.277 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.6 m -58.71 -40.53 83.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.127 1.442 . . . . 0.0 114.051 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.25 -38.91 65.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.163 -2.211 . . . . 0.0 110.319 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.45 -43.68 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.941 -1.724 . . . . 0.0 114.851 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -71.81 -36.55 70.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.64 -1.912 . . . . 0.0 116.145 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -85.6 -35.39 21.03 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.577 -1.327 . . . . 0.0 114.249 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.32 66.26 0.88 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.013 -2.304 . . . . 0.0 110.249 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -53.76 -65.74 0.51 Allowed 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.554 1.168 . . . . 0.0 113.163 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.82 -49.76 75.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.634 1.573 . . . . 0.0 113.561 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.05 23.3 Favored Glycine 0 N--CA 1.43 -1.713 0 O-C-N 120.275 -1.516 . . . . 0.0 115.612 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.287 4.5 t80 -68.92 -40.58 79.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 119.252 1.526 . . . . 0.0 109.17 -173.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -44.56 -56.51 4.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.927 2.149 . . . . 0.0 116.03 167.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -70.02 1.13 Allowed Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 115.688 1.035 . . . . 0.0 115.688 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -28.58 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.007 -2.467 . . . . 0.0 114.355 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . 0.252 24.5 t80 -64.77 -41.27 95.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 122.577 2.444 . . . . 0.0 115.192 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -45.16 -51.52 10.37 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 162.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -71.14 -46.9 60.6 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.621 -0.675 . . . . 0.0 110.449 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.72 -47.67 85.24 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.407 1.483 . . . . 0.0 112.119 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.04 -59.39 3.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.188 1.358 . . . . 0.0 114.503 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.376 9.8 ptp -44.37 -35.83 2.56 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 120.231 3.419 . . . . 0.0 120.231 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.12 -3.76 58.91 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.768 -1.832 . . . . 0.0 112.75 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.303 0.5 OUTLIER -130.85 44.27 2.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.771 1.748 . . . . 0.0 107.472 171.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.22 111.75 24.06 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 150.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt . . . . . 0 N--CA 1.43 -1.463 0 C-N-CA 123.755 0.822 . . . . 0.0 110.376 172.213 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 N--CA 1.431 -1.42 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -130.15 115.59 17.25 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.358 1.463 . . . . 0.0 108.563 -177.21 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -80.85 -41.34 23.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.895 -1.128 . . . . 0.0 109.283 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -45.34 -47.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.078 2.151 . . . . 0.0 115.566 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -68.13 -10.82 57.03 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.559 1.944 . . . . 0.0 113.707 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -46.65 8.36 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.638 1.575 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.79 -47.22 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.087 1.755 . . . . 0.0 109.469 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -39.67 -68.22 0.18 Allowed 'General case' 0 N--CA 1.429 -1.511 1 C-N-CA 132.493 4.317 . . . . 0.0 114.529 169.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -67.38 -26.64 66.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.484 -2.01 . . . . 0.0 114.025 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.09 -35.67 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.6 -1.938 . . . . 0.0 111.077 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mt -55.49 -33.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 129.301 3.041 . . . . 0.0 116.318 170.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -81.95 -31.25 31.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.282 -0.887 . . . . 0.0 110.438 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.83 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.417 2.287 . . . . 0.0 114.009 164.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.0 97.78 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.337 -2.102 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 p -68.29 -13.63 62.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.48 -53.99 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.67 -1.269 . . . . 0.0 110.898 163.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.14 -33.93 75.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.778 -1.201 . . . . 0.0 112.823 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.0 mt -79.29 -20.91 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.901 -1.124 . . . . 0.0 112.576 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.7 -40.44 96.79 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.486 -1.384 . . . . 0.0 110.999 164.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.07 3.27 52.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.337 1.455 . . . . 0.0 113.477 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 59.46 32.47 21.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.51 2.324 . . . . 0.0 116.408 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -103.64 39.43 1.6 Allowed 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 127.562 2.345 . . . . 0.0 112.083 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.366 0.0 OUTLIER -61.71 -17.47 55.85 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -37.24 -43.23 0.51 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.258 2.223 . . . . 0.0 116.651 165.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.22 -49.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.906 1.682 . . . . 0.0 112.329 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -61.13 -39.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 126.916 2.086 . . . . 0.0 111.879 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -63.11 -18.77 63.78 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.485 2.314 . . . . 0.0 116.131 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -114.09 115.12 27.04 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.253 -2.154 . . . . 0.0 110.297 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB2' ' HA ' ' A' ' 88' ' ' THR . 6.7 ttp-105 -33.66 -63.86 0.24 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 129.355 3.062 . . . . 0.0 114.531 172.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.17 -15.0 59.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 118.417 2.747 . . . . 0.0 118.417 -175.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -86.34 -36.53 19.19 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -56.6 -53.67 54.96 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.549 2.34 . . . . 0.0 112.484 170.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mt -53.44 -42.7 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.284 2.233 . . . . 0.0 115.455 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.99 -25.18 65.29 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.73 -1.856 . . . . 0.0 115.204 172.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -73.93 -41.58 61.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 109.877 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.92 -39.36 71.55 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.905 1.682 . . . . 0.0 113.462 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -77.42 -14.19 59.76 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.954 -1.716 . . . . 0.0 115.431 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -78.01 -53.45 7.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 120.079 1.309 . . . . 0.0 112.055 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -6.8 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.062 -1.024 . . . . 0.0 112.705 -173.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.28 49.11 5.67 Favored Glycine 0 N--CA 1.43 -1.708 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.11 109.79 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 119.507 1.653 . . . . 0.0 108.827 172.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -104.04 132.09 50.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.445 -0.784 . . . . 0.0 110.73 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.276 2.0 t60 -71.56 -95.07 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.695 -1.253 . . . . 0.0 113.635 171.035 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -88.06 47.59 1.52 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.554 -1.966 . . . . 0.0 111.313 -173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.68 6.42 77.23 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -122.54 152.88 39.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.79 146.01 34.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.376 1.444 . . . . 0.0 110.269 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.12 134.79 34.24 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.093 -1.629 . . . . 0.0 111.803 -151.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.01 157.67 17.14 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.732 -1.23 . . . . 0.0 111.548 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.37 -41.22 94.02 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.444 -1.41 . . . . 0.0 113.986 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -67.98 -53.49 25.7 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.573 1.149 . . . . 0.0 113.08 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.6 m -59.29 -24.92 63.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.22 -48.95 79.55 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.958 1.837 . . . . 0.0 112.723 168.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -68.06 -30.05 69.16 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.725 -1.234 . . . . 0.0 112.317 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -68.92 -45.22 71.4 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.62 -1.3 . . . . 0.0 113.825 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 24.1 pt -58.76 -48.37 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 119.69 -1.881 . . . . 0.0 113.296 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.81 -31.49 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -88.0 -51.81 5.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 6.5 pt-20 -91.53 11.11 25.18 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 119.523 -1.985 . . . . 0.0 114.741 -164.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.3 mt -37.75 145.62 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.505 -1.372 . . . . 0.0 114.024 160.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.3 p -75.37 174.23 9.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.758 -1.839 . . . . 0.0 110.796 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -65.01 -40.33 94.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.854 -1.778 . . . . 0.0 110.964 171.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -57.37 -50.29 73.46 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -58.36 -34.7 70.97 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.964 1.705 . . . . 0.0 114.968 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.45 -46.32 49.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.4 -31.26 71.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.257 -2.152 . . . . 0.0 113.074 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.0 m -61.09 -41.23 96.29 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.593 1.557 . . . . 0.0 113.672 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.55 -32.15 62.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.16 -1.588 . . . . 0.0 111.639 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.21 -28.24 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.186 1.795 . . . . 0.0 113.891 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -66.63 -48.8 68.29 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.834 -1.791 . . . . 0.0 114.554 172.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -89.93 -53.52 4.45 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -174.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -86.89 62.1 7.2 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.809 2.844 . . . . 0.0 112.567 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -57.56 -64.84 0.76 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.907 1.283 . . . . 0.0 114.048 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.98 -55.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.048 1.739 . . . . 0.0 112.769 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.74 -57.42 16.27 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -174.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.273 0.5 OUTLIER -78.64 -30.12 46.23 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 119.171 1.486 . . . . 0.0 110.606 -169.272 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.27 -50.04 68.18 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.221 2.282 . . . . 0.0 113.018 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.52 -70.95 0.85 Allowed Glycine 0 N--CA 1.431 -1.689 0 O-C-N 120.107 -1.62 . . . . 0.0 114.267 170.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.18 -19.29 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.252 -2.322 . . . . 0.0 115.241 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -83.04 -15.86 49.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.022 -1.674 . . . . 0.0 112.814 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -70.01 -37.74 75.74 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 123.408 2.822 . . . . 0.0 111.74 163.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.26 -62.24 1.66 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.159 2.184 . . . . 0.0 107.424 -174.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.0 mt -56.36 -28.85 60.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.06 -41.64 70.48 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.102 -1.624 . . . . 0.0 113.613 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -86.05 -23.3 26.81 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.59 -1.319 . . . . 0.0 114.376 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.4 m-30 -78.26 -1.02 30.98 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.762 -1.211 . . . . 0.0 113.795 -171.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 30' ' ' ARG 0.28 0.1 OUTLIER -105.08 85.84 2.34 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.695 1.198 . . . . 0.0 107.955 169.532 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -88.05 122.47 31.68 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 124.986 1.314 . . . . 0.0 109.154 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt . . . . . 0 N--CA 1.43 -1.463 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.483 -167.236 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 106.8 -1.555 . . . . 0.0 106.8 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -108.4 136.17 48.48 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.868 1.318 . . . . 0.0 112.834 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.1 -30.65 13.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.898 -1.126 . . . . 0.0 109.703 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.407 HG23 ' H ' ' B' ' 5' ' ' ILE . 17.4 tt -71.05 -41.29 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.52 0 C-N-CA 128.894 2.878 . . . . 0.0 115.95 -163.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.03 -32.14 65.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.839 2.056 . . . . 0.0 113.438 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -59.55 3.5 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 125.641 1.577 . . . . 0.0 108.752 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 t -51.21 -35.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 C-N-CA 126.638 1.975 . . . . 0.0 113.485 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -59.13 -62.23 2.04 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 128.852 2.861 . . . . 0.0 112.094 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.98 -39.63 92.83 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 121.032 -1.042 . . . . 0.0 113.73 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -71.31 -23.5 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.344 -1.472 . . . . 0.0 113.003 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -60.43 -52.51 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 118.982 -2.324 . . . . 0.0 110.841 168.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -26.29 66.34 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.459 1.504 . . . . 0.0 114.869 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.44 -42.61 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.784 -1.197 . . . . 0.0 111.426 167.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.09 73.25 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.816 -2.428 . . . . 0.0 113.332 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -60.68 -26.72 67.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mm -60.71 -46.82 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 125.208 1.403 . . . . 0.0 113.601 166.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' B' ' 36' ' ' PHE . 1.5 mm? -55.73 -42.93 76.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.48 -1.387 . . . . 0.0 113.118 172.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.94 -36.43 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 124.642 1.177 . . . . 0.0 112.351 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -51.21 -45.51 61.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.267 -2.146 . . . . 0.0 113.798 166.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -84.78 7.89 19.1 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 52.97 35.82 20.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.419 2.688 . . . . 0.0 114.89 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.34 50.95 0.77 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.395 1.878 . . . . 0.0 110.228 173.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -16.51 63.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -70.88 -15.56 62.63 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.203 -1.561 . . . . 0.0 115.102 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.47 -52.78 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.639 -1.913 . . . . 0.0 110.133 166.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -53.99 -39.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.805 2.442 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.28 -18.57 1.61 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 129.985 3.314 . . . . 0.0 117.613 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -117.51 110.06 17.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.877 -1.764 . . . . 0.0 110.166 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -34.15 -62.31 0.33 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 130.357 3.463 . . . . 0.0 113.991 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.11 96.12 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.56 -33.01 74.65 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.499 -2.001 . . . . 0.0 114.074 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.14 -51.13 65.35 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.89 1.676 . . . . 0.0 111.84 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.42 -40.69 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 131.591 3.956 . . . . 0.0 113.511 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -50.6 70.68 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.513 1.149 . . . . 0.0 109.975 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.442 ' CZ ' HD23 ' B' ' 18' ' ' LEU . 8.6 t80 -58.04 -37.19 73.91 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.051 2.14 . . . . 0.0 114.451 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.86 -40.65 80.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.489 -2.007 . . . . 0.0 113.155 173.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -73.68 -18.81 60.97 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.953 -1.092 . . . . 0.0 113.836 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -72.79 -54.87 7.71 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.349 1.06 . . . . 0.0 113.03 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -12.3 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 120.058 -1.651 . . . . 0.0 112.828 -170.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.47 32.11 6.8 Favored Glycine 0 N--CA 1.43 -1.739 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.327 26.5 t -71.58 102.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.142 1.449 . . . . 0.0 110.342 167.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -106.71 130.02 54.51 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.458 1.503 . . . . 0.0 109.249 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.45 -89.9 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -79.83 27.45 0.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.293 -2.129 . . . . 0.0 113.601 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.21 -4.62 80.4 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.117 -1.614 . . . . 0.0 113.423 -154.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -101.77 151.28 22.24 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.682 1.193 . . . . 0.0 110.659 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -73.82 143.43 45.94 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.955 0.883 . . . . 0.0 110.677 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.97 126.42 37.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.342 -1.474 . . . . 0.0 113.304 -160.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -94.9 158.29 15.55 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.063 1.745 . . . . 0.0 112.602 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.64 -37.32 70.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.0 -46.09 68.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.522 -1.361 . . . . 0.0 113.256 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -71.14 -17.12 62.57 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.709 -1.245 . . . . 0.0 113.79 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.28 -47.42 67.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.773 1.749 . . . . 0.0 111.498 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -70.89 -23.2 62.24 Favored 'General case' 0 N--CA 1.429 -1.519 0 O-C-N 119.659 -1.901 . . . . 0.0 111.289 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.23 -40.3 59.2 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 118.973 -2.329 . . . . 0.0 116.143 166.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.306 22.5 pt -56.56 -43.75 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.452 -2.03 . . . . 0.0 115.322 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.96 -50.12 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -73.35 -55.56 6.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.563 -1.961 . . . . 0.0 116.031 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.13 18.27 2.63 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -165.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.48 150.12 12.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.912 1.685 . . . . 0.0 112.6 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 48.3 p -82.08 170.06 15.95 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.973 -1.704 . . . . 0.0 110.75 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -56.85 -46.44 81.76 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.982 -1.074 . . . . 0.0 112.167 169.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -34.52 78.48 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.02 -39.12 89.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.839 -1.163 . . . . 0.0 112.448 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.93 -46.03 54.82 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.043 -1.661 . . . . 0.0 111.129 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -33.33 65.97 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.406 1.082 . . . . 0.0 113.154 168.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -60.71 -44.92 95.99 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.431 -0.793 . . . . 0.0 112.439 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.04 -41.95 76.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.549 -1.345 . . . . 0.0 111.689 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.52 -44.21 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.539 1.935 . . . . 0.0 114.631 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.41 -33.98 77.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.76 -1.838 . . . . 0.0 115.138 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -92.17 -28.34 17.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.062 -1.649 . . . . 0.0 113.633 -174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.63 79.98 1.94 Allowed 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.831 1.652 . . . . 0.0 109.627 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -59.07 -72.29 0.1 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.096 1.358 . . . . 0.0 113.969 -170.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.6 -30.38 56.94 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.349 2.259 . . . . 0.0 110.675 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.9 -62.36 4.56 Favored Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 126.109 1.814 . . . . 0.0 112.279 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.317 0.7 OUTLIER -67.1 -41.4 86.34 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.282 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -36.14 -63.99 0.35 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 117.943 2.571 . . . . 0.0 117.943 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.89 -57.75 7.53 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-O 121.931 0.74 . . . . 0.0 112.93 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.7 m -64.98 -24.95 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.411 -2.817 . . . . 0.0 116.237 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -77.15 -21.73 53.65 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.474 -1.392 . . . . 0.0 112.763 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.07 -41.68 97.08 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.177 -1.577 . . . . 0.0 113.18 163.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.4 -49.1 58.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.866 1.666 . . . . 0.0 108.048 -173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.85 -41.93 92.51 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.58 -1.325 . . . . 0.0 113.19 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.63 -36.71 84.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.935 -1.728 . . . . 0.0 115.4 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -83.21 -18.06 40.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.1 -1.625 . . . . 0.0 114.659 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -89.51 -14.2 35.75 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 122.769 1.271 . . . . 0.0 108.875 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.4 t -126.27 81.3 1.99 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -83.68 121.37 27.18 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.828 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 . . . . . 0 N--CA 1.429 -1.49 0 CA-C-O 123.189 1.471 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.551 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -122.41 152.2 40.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 125.222 1.409 . . . . 0.0 108.961 169.157 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -73.76 -56.48 4.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.7 tt -42.11 -53.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 -161.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -40.96 98.76 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 125.872 1.669 . . . . 0.0 113.814 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.6 m -55.03 -39.7 69.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.989 -2.32 . . . . 0.0 115.9 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.47 -48.85 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.751 -1.843 . . . . 0.0 111.474 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -42.38 -58.61 2.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 130.693 3.597 . . . . 0.0 115.248 170.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.53 -33.82 73.35 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.298 25.0 mt -66.34 -33.63 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 119.164 -2.21 . . . . 0.0 112.804 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.99 -43.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.498 -2.626 . . . . 0.0 114.951 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -67.39 -43.13 82.1 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 112.107 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -53.24 -46.05 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.023 2.129 . . . . 0.0 115.581 168.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.09 95.59 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 121.041 -1.037 . . . . 0.0 112.271 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -14.7 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.21 -52.54 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.974 -1.704 . . . . 0.0 111.465 167.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.58 -38.9 75.64 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.772 -1.205 . . . . 0.0 111.406 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -72.44 -30.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.998 1.319 . . . . 0.0 111.766 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -60.87 -39.24 88.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.253 1.421 . . . . 0.0 112.458 170.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 3.82 51.1 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.961 2.104 . . . . 0.0 116.137 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 t 59.0 34.02 23.35 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.167 -2.208 . . . . 0.0 116.528 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -101.47 40.76 1.26 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 128.696 2.798 . . . . 0.0 111.572 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.42 0.0 OUTLIER -62.42 -23.3 66.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 176.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -33.87 -54.36 0.47 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 119.373 3.101 . . . . 0.0 119.373 159.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.1 -38.12 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.069 -1.644 . . . . 0.0 111.279 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -69.68 -36.58 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.046 1.338 . . . . 0.0 110.919 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 29.4 tt0 -61.71 -3.24 1.02 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.989 2.916 . . . . 0.0 118.003 -169.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -147.5 133.69 19.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.193 -2.192 . . . . 0.0 110.389 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -51.73 15.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.1 -14.73 60.6 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 118.78 -2.45 . . . . 0.0 116.68 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -80.01 -41.22 26.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -60.85 -53.03 62.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.452 1.101 . . . . 0.0 113.95 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.88 -46.04 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.313 2.245 . . . . 0.0 115.29 173.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.14 64.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.468 -2.02 . . . . 0.0 114.268 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.78 -43.52 62.7 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.257 1.423 . . . . 0.0 109.097 173.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.84 -50.98 67.29 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.137 1.375 . . . . 0.0 113.724 172.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.96 -38.29 90.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.131 -1.605 . . . . 0.0 115.32 173.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -50.24 -58.66 5.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 pt -75.69 -19.55 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.48 46.98 4.46 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.13 127.44 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 119.145 1.473 . . . . 0.0 109.031 166.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.0 p -108.43 153.66 22.98 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.2 t60 -78.75 -102.01 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.813 -1.179 . . . . 0.0 113.107 168.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.03 57.98 1.53 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.296 -1.502 . . . . 0.0 108.334 -169.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.21 2.22 39.28 Favored Glycine 0 N--CA 1.429 -1.789 0 N-CA-C 117.349 1.7 . . . . 0.0 117.349 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -124.72 159.07 31.72 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 119.481 1.64 . . . . 0.0 108.139 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -71.07 152.9 43.03 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 123.688 0.795 . . . . 0.0 110.863 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.55 129.59 45.72 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.103 -0.998 . . . . 0.0 109.522 -158.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -100.85 176.31 5.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 125.497 1.519 . . . . 0.0 112.467 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -79.14 -42.26 26.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.887 -1.758 . . . . 0.0 112.797 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -64.25 -49.97 69.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.905 -1.122 . . . . 0.0 111.813 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.417 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 48.3 m -61.84 -23.23 66.13 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.06 -47.96 59.78 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.722 1.249 . . . . 0.0 109.378 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -32.05 73.13 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.57 -1.331 . . . . 0.0 112.174 -174.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.262 0.1 OUTLIER -63.39 -40.34 96.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 168.746 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.345 11.8 pt -58.72 -49.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.63 -25.18 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 m -80.39 -61.84 1.86 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 172.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.267 13.3 pt-20 -82.73 10.82 6.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.871 2.578 . . . . 0.0 114.96 -156.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.5 mt -44.58 146.05 0.79 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.61 1.964 . . . . 0.0 113.901 170.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 p -82.61 175.22 10.34 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.2 -40.61 71.05 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.789 -1.819 . . . . 0.0 108.764 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.64 -30.01 69.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.05 1.34 . . . . 0.0 114.482 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -70.57 -37.8 74.0 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 122.818 1.294 . . . . 0.0 110.701 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.83 -37.8 23.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.805 -1.809 . . . . 0.0 107.386 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -34.07 76.6 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.051 1.34 . . . . 0.0 109.574 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.52 -37.34 82.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 119.222 0.919 . . . . 0.0 112.219 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.13 -25.23 42.96 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.794 -1.191 . . . . 0.0 111.43 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.01 -43.42 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.083 -1.636 . . . . 0.0 111.028 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -65.51 -36.74 84.72 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.601 -1.312 . . . . 0.0 113.567 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -80.26 -30.12 38.42 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.837 -1.164 . . . . 0.0 113.141 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.46 78.85 1.75 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 121.7 2.046 . . . . 0.0 106.079 -165.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -57.19 -69.52 0.16 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.111 -0.993 . . . . 0.0 112.914 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.99 -46.44 84.56 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.946 -1.096 . . . . 0.0 112.891 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.56 -63.56 5.17 Favored Glycine 0 N--CA 1.431 -1.687 0 C-N-CA 125.491 1.52 . . . . 0.0 114.663 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -77.24 -30.11 54.38 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.284 -166.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.16 -52.97 48.58 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 120.568 1.531 . . . . 0.0 114.224 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.95 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 123.374 0.511 . . . . 0.0 113.72 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.96 -24.39 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.721 -2.046 . . . . 0.0 114.74 -169.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -74.19 -28.79 61.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.348 -1.47 . . . . 0.0 114.722 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -58.2 -40.9 82.78 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.652 2.478 . . . . 0.0 116.031 164.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.02 -58.66 4.14 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.46 -38.52 74.6 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.633 -1.292 . . . . 0.0 114.309 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.91 -58.74 4.4 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 119.257 0.935 . . . . 0.0 113.455 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.93 -28.7 70.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 23.2 m-30 -76.5 -1.23 26.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.245 -1.534 . . . . 0.0 112.307 -172.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.251 0.1 OUTLIER -116.47 106.98 14.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.074 1.349 . . . . 0.0 110.129 171.252 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -98.01 123.99 42.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 166.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.659 -159.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.528 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -111.66 147.63 35.13 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 164.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.33 -40.43 21.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.316 -2.115 . . . . 0.0 112.932 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.412 HG23 ' H ' ' B' ' 5' ' ' ILE . 13.7 tt -69.64 -36.57 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.714 2.406 . . . . 0.0 111.577 -161.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -40.86 73.35 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.229 -1.35 . . . . 0.0 113.775 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -75.47 -41.5 55.41 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 123.175 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.51 -41.61 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 120.203 -1.561 . . . . 0.0 114.286 170.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.81 -50.11 74.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.445 2.298 . . . . 0.0 112.746 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -70.32 -36.69 74.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -73.3 -25.16 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 118.963 -2.336 . . . . 0.0 114.309 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.2 mt -53.88 -59.84 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.92 -2.363 . . . . 0.0 112.759 168.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -60.75 -38.18 84.31 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.47 -43.59 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.996 1.718 . . . . 0.0 113.807 169.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.37 -34.88 65.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.835 -2.416 . . . . 0.0 112.822 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.309 52.2 p -62.17 -24.08 66.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 167.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.94 -49.61 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.286 1.435 . . . . 0.0 112.874 167.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.79 -41.84 87.62 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -37.34 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.55 -2.594 . . . . 0.0 114.466 169.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -50.23 -41.65 50.4 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.121 -2.237 . . . . 0.0 115.395 168.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -91.83 11.11 25.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.11 -1.619 . . . . 0.0 113.582 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.274 2.3 t 52.64 49.43 20.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 127.058 2.143 . . . . 0.0 115.039 -174.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -125.2 40.58 3.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.544 1.938 . . . . 0.0 108.937 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -15.84 62.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.549 -1.345 . . . . 0.0 113.303 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.15 -36.44 1.18 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 131.587 3.955 . . . . 0.0 116.947 162.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mt -68.01 -39.96 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-O 122.797 1.284 . . . . 0.0 111.432 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.51 -34.63 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.255 1.822 . . . . 0.0 113.495 -165.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 12.3 pt-20 -54.75 -20.26 8.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.554 3.539 . . . . 0.0 120.554 -172.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -117.51 133.46 55.94 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.442 -1.411 . . . . 0.0 107.911 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -49.61 -52.42 30.5 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 123.491 1.615 . . . . 0.0 113.396 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.03 90.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -169.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -56.33 -37.73 70.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.78 -51.4 65.0 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.607 1.163 . . . . 0.0 112.932 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.83 -36.1 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 129.085 2.954 . . . . 0.0 111.542 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.29 69.52 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.093 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.68 -41.52 66.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 165.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.04 -32.28 69.6 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.138 -2.226 . . . . 0.0 114.97 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.85 -38.67 61.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.061 -2.274 . . . . 0.0 111.788 171.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -64.21 -42.4 96.62 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.726 2.411 . . . . 0.0 113.779 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 pt -90.71 -23.27 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 111.955 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.58 53.86 4.19 Favored Glycine 0 N--CA 1.43 -1.705 0 CA-C-O 116.834 -2.092 . . . . 0.0 116.829 -173.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.82 125.71 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 1 CA-C-N 124.379 4.09 . . . . 0.0 105.763 164.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -107.14 158.12 17.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.581 -1.324 . . . . 0.0 110.586 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.528 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 5.9 t60 -73.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.469 -1.394 . . . . 0.0 110.984 168.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -94.89 48.68 1.2 Allowed 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.67 -1.894 . . . . 0.0 110.012 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.92 12.53 75.11 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 117.009 1.563 . . . . 0.0 117.009 -167.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -127.35 152.14 47.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.452 -1.616 . . . . 0.0 110.331 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -66.26 144.26 56.71 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 111.614 -168.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 128.98 34.91 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.18 1.467 . . . . 0.0 114.629 -168.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -98.21 158.71 15.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.687 1.595 . . . . 0.0 109.491 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -72.59 -36.02 68.05 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.778 -1.201 . . . . 0.0 113.712 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -72.28 -41.35 66.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.278 1.431 . . . . 0.0 113.569 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -78.68 -20.49 50.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.363 -1.461 . . . . 0.0 112.176 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.87 -47.78 81.88 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 124.236 1.969 . . . . 0.0 110.862 164.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.57 -28.41 64.87 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.714 -1.241 . . . . 0.0 112.617 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.31 14.7 ptpt -58.74 -51.72 68.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 159.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.266 14.0 pt -60.42 -42.0 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.993 -1.692 . . . . 0.0 114.128 -171.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 -31.45 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -74.38 -55.74 5.65 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.92 0.79 12.32 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -158.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.81 132.55 52.65 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.366 1.466 . . . . 0.0 113.679 172.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.5 p -79.87 171.96 14.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.936 -1.103 . . . . 0.0 110.11 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -58.2 -39.41 78.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.849 -1.157 . . . . 0.0 112.636 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.45 -37.84 88.92 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -71.11 -35.19 71.68 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.416 -2.052 . . . . 0.0 112.527 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.69 -41.34 68.77 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.791 -1.818 . . . . 0.0 110.806 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -54.68 -34.38 62.21 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 165.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.5 m -63.08 -48.7 77.53 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.633 0.73 . . . . 0.0 111.676 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.86 -43.65 92.29 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.681 -1.887 . . . . 0.0 114.021 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.19 -33.71 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.301 1.84 . . . . 0.0 114.921 172.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.57 -33.75 73.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.269 -1.519 . . . . 0.0 113.718 172.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -100.85 -29.49 12.21 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.62 -1.3 . . . . 0.0 112.608 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.33 80.15 1.92 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.93 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.9 -70.01 0.28 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.973 0.909 . . . . 0.0 112.391 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.71 -55.02 38.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.252 -1.53 . . . . 0.0 112.159 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.57 -67.21 0.74 Allowed Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 121.63 3.412 . . . . 0.0 121.63 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -31.78 44.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.692 -1.476 . . . . 0.0 109.612 -169.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -58.7 -48.26 81.75 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 120.04 1.291 . . . . 0.0 112.093 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -70.85 0.92 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 171.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.266 0.0 OUTLIER -66.99 -19.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 119.101 -2.411 . . . . 0.0 116.961 -172.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.18 -23.49 61.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 120.721 1.6 . . . . 0.0 113.839 170.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -61.4 -50.31 73.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.432 -2.043 . . . . 0.0 112.208 165.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -62.33 -54.64 37.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.481 1.512 . . . . 0.0 110.31 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -48.59 -42.49 34.06 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.758 1.623 . . . . 0.0 114.444 173.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.53 -41.99 65.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.959 -1.088 . . . . 0.0 110.505 -172.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -81.27 -18.07 47.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.443 -1.41 . . . . 0.0 113.532 -173.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.4 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 23.1 m-85 -89.96 -6.79 55.3 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 109.553 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.299 0.0 OUTLIER -128.69 88.38 2.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -90.59 131.07 36.52 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 164.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 N--CA 1.429 -1.482 0 O-C-N 121.276 -0.89 . . . . 0.0 110.385 -167.72 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.43 -1.462 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.529 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 1.3 mptt -119.3 -150.08 0.45 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.834 0.854 . . . . 0.0 109.654 -165.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -76.27 -60.93 2.12 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.391 -2.068 . . . . 0.0 110.291 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 tt -37.34 -37.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 C-N-CA 129.978 3.311 . . . . 0.0 118.185 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -67.46 -43.94 79.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 100.0 m -70.46 -43.3 70.13 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.53 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.31 -39.91 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 121.448 1.931 . . . . 0.0 108.267 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.33 -37.58 88.0 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 120.746 3.609 . . . . 0.0 120.746 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.65 -31.94 70.33 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.746 1.612 . . . . 0.0 110.895 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.46 -24.02 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 120.392 -1.442 . . . . 0.0 114.813 171.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.49 -42.68 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-N 119.897 1.226 . . . . 0.0 112.535 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.8 p -64.29 -52.99 55.84 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.949 -1.094 . . . . 0.0 111.844 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -45.67 -50.37 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.729 2.412 . . . . 0.0 115.641 170.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.65 78.79 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.733 -2.479 . . . . 0.0 113.805 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 p -69.69 -18.94 63.59 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.42 -53.37 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.999 1.319 . . . . 0.0 110.944 168.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.39 -43.71 83.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.074 0.95 . . . . 0.0 111.863 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.6 mt -68.28 -32.16 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 121.359 -0.838 . . . . 0.0 113.142 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.45 78.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.021 -1.674 . . . . 0.0 113.106 169.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.51 7.84 36.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.539 1.536 . . . . 0.0 113.402 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 62.04 28.25 17.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -97.92 44.15 1.05 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 128.196 2.598 . . . . 0.0 112.421 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -65.7 -18.22 65.17 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -52.73 -30.34 31.98 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 168.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 mt -72.85 -49.15 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 125.316 1.447 . . . . 0.0 110.717 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.22 -43.93 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 125.958 1.703 . . . . 0.0 113.507 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.9 tm-20 -51.11 -17.4 0.64 Allowed 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 129.585 3.154 . . . . 0.0 118.782 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.78 123.11 39.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.215 -2.178 . . . . 0.0 110.307 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -40.4 -46.91 2.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 170.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -27.12 22.14 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 118.901 -2.374 . . . . 0.0 111.751 -167.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.71 -35.27 70.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.165 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -67.17 -50.42 61.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.611 1.164 . . . . 0.0 110.893 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -54.82 -41.48 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.95 2.1 . . . . 0.0 113.542 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.5 84.03 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 113.89 -3.124 . . . . 0.0 115.045 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -54.99 -37.57 66.73 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 128.01 2.524 . . . . 0.0 114.563 166.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.6 mt -54.29 -43.98 71.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.449 -2.657 . . . . 0.0 114.47 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -75.22 -14.79 60.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.39 -50.6 17.91 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.767 1.227 . . . . 0.0 113.673 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -12.04 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.264 -1.523 . . . . 0.0 112.76 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.9 30.68 7.38 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 126.787 2.137 . . . . 0.0 115.586 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.82 113.15 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 118.448 1.124 . . . . 0.0 110.078 166.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -108.7 160.76 15.69 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.343 1.857 . . . . 0.0 108.3 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.267 9.3 t60 -83.47 -97.59 0.05 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.341 -1.474 . . . . 0.0 112.468 170.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.14 51.51 2.06 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.705 -1.872 . . . . 0.0 110.508 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.77 3.11 54.07 Favored Glycine 0 N--CA 1.431 -1.687 0 O-C-N 119.822 -1.799 . . . . 0.0 117.53 -172.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -114.62 150.98 34.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.825 1.65 . . . . 0.0 109.22 -176.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.43 129.72 41.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.751 1.621 . . . . 0.0 113.08 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.98 126.5 31.12 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.297 1.039 . . . . 0.0 113.048 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.11 161.8 13.37 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.875 1.27 . . . . 0.0 112.839 -167.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.47 -39.96 73.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.997 -1.689 . . . . 0.0 113.157 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -77.18 -36.59 54.92 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 121.203 -0.935 . . . . 0.0 112.707 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -88.08 -13.93 40.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 123.814 0.845 . . . . 0.0 111.602 -174.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.01 -51.55 66.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.256 -1.528 . . . . 0.0 107.954 161.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -63.33 -30.53 71.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.126 -1.609 . . . . 0.0 114.381 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.11 -44.25 89.37 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.696 -1.877 . . . . 0.0 113.826 170.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.424 46.3 pt -53.62 -49.96 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 m -83.13 -32.31 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.903 1.811 . . . . 0.0 114.102 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -88.42 -53.57 4.61 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 9.9 pt-20 -88.1 17.65 4.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.028 2.131 . . . . 0.0 113.612 -168.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.16 152.32 4.41 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 169.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -82.98 168.75 16.71 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 112.069 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.37 -39.53 90.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.364 -1.46 . . . . 0.0 111.74 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.21 -37.5 87.48 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.93 -36.98 85.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.012 -1.68 . . . . 0.0 112.971 173.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -72.93 -44.86 60.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.41 1.484 . . . . 0.0 109.997 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -35.19 71.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.801 0.84 . . . . 0.0 113.196 169.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -63.8 -51.44 64.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.727 -1.233 . . . . 0.0 113.403 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.3 -48.41 79.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.647 -1.283 . . . . 0.0 112.122 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.59 -42.71 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.682 2.393 . . . . 0.0 113.132 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -58.61 -25.09 62.29 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.979 -1.7 . . . . 0.0 114.055 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -111.71 -39.14 4.67 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 122.101 2.228 . . . . 0.0 110.865 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -113.33 56.37 0.69 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.324 1.45 . . . . 0.0 109.978 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -47.39 -58.58 4.0 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.64 -44.07 52.24 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.621 -1.925 . . . . 0.0 111.756 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.66 -51.86 18.37 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 124.313 0.959 . . . . 0.0 111.374 -169.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.389 0.0 OUTLIER -73.33 -46.19 50.89 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 116.52 -1.705 . . . . 0.0 110.007 -175.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -45.51 -48.9 14.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 122.685 2.493 . . . . 0.0 116.741 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.94 2.66 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.515 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -65.68 -17.96 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 120.162 -1.787 . . . . 0.0 115.521 -171.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.22 -41.03 67.35 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.446 -1.409 . . . . 0.0 114.078 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -51.01 -41.54 59.84 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 165.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.9 -44.91 68.76 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.237 1.415 . . . . 0.0 108.799 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.71 -53.71 54.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.156 -1.59 . . . . 0.0 110.219 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -53.87 -42.99 69.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 ptp -82.69 -26.18 32.3 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.665 -173.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.1 m-30 -83.25 -17.16 43.64 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.733 -1.229 . . . . 0.0 110.756 -175.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.349 5.9 t -128.25 48.09 2.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.559 1.144 . . . . 0.0 111.475 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -86.81 118.94 26.53 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 143.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 N--CA 1.429 -1.482 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 -177.309 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 122.364 1.078 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.433 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 9.4 mptt -116.28 -176.55 2.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 166.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -67.59 -50.66 57.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.399 -2.063 . . . . 0.0 114.112 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.39 -40.95 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.02 -39.31 66.03 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.005 2.122 . . . . 0.0 111.579 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -59.31 4.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.629 2.371 . . . . 0.0 111.802 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.45 -35.13 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.736 2.415 . . . . 0.0 112.058 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -59.4 -60.35 3.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 130.708 3.603 . . . . 0.0 111.551 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.36 -27.02 64.97 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.477 -1.389 . . . . 0.0 113.732 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.8 -39.03 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 113.011 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -53.38 -47.69 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 130.681 3.592 . . . . 0.0 114.342 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -72.23 -41.91 66.32 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.743 -1.223 . . . . 0.0 112.522 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 t -54.59 -42.0 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 O-C-N 119.715 -1.866 . . . . 0.0 113.75 167.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.43 63.25 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.08 -1.637 . . . . 0.0 115.069 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.4 p -82.72 -10.37 58.94 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.089 -2.882 . . . . 0.0 112.76 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 9.9 mm -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 CA-C-N 120.16 1.346 . . . . 0.0 109.384 163.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.26 -33.92 75.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.67 -1.269 . . . . 0.0 114.264 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 29.1 mt -77.69 -25.82 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.109 -1.619 . . . . 0.0 112.066 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -39.54 91.21 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.127 1.771 . . . . 0.0 110.2 170.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.6 8.74 23.84 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.38 -2.075 . . . . 0.0 114.037 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.331 8.1 t 62.47 32.26 16.74 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 175.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -111.99 42.11 1.82 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.284 2.233 . . . . 0.0 111.32 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -60.67 -20.82 61.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 175.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.64 -43.24 0.87 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 155.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.61 -42.24 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.105 -1.622 . . . . 0.0 111.679 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.3 -32.24 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.733 1.613 . . . . 0.0 113.0 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.07 -20.49 1.45 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 128.641 2.777 . . . . 0.0 117.926 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -133.56 137.05 45.33 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.922 -2.361 . . . . 0.0 112.543 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -53.8 12.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.19 1.796 . . . . 0.0 113.074 173.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.57 61.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.078 -2.889 . . . . 0.0 116.393 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.62 -43.43 47.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.077 -1.639 . . . . 0.0 110.171 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.08 -61.59 2.06 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.696 1.999 . . . . 0.0 114.67 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.04 -39.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.574 3.149 . . . . 0.0 114.609 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.11 91.88 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.008 -1.057 . . . . 0.0 112.966 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -33.17 54.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.746 1.618 . . . . 0.0 109.713 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.18 -43.61 78.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.958 -1.089 . . . . 0.0 113.094 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -76.39 -17.58 59.29 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.764 -1.835 . . . . 0.0 115.653 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.13 -66.75 0.5 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.467 -1.396 . . . . 0.0 111.544 165.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.279 0.2 OUTLIER -81.36 -7.82 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -170.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 53.38 3.37 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.81 68.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 120.336 2.068 . . . . 0.0 108.515 169.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.27 44.2 p -96.53 149.32 21.89 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.769 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.433 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.281 10.3 t60 -87.29 -80.02 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 117.335 -1.746 . . . . 0.0 108.75 -152.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.33 44.49 1.16 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.868 1.318 . . . . 0.0 109.539 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.03 1.5 48.83 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-O 116.405 -2.331 . . . . 0.0 116.167 -165.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -126.54 147.33 49.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 121.477 2.638 . . . . 0.0 105.479 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -56.69 135.37 55.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.235 1.017 . . . . 0.0 112.643 -166.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -91.09 131.01 36.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -162.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.67 164.38 11.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.642 -1.286 . . . . 0.0 111.506 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.09 -29.96 69.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.257 -2.152 . . . . 0.0 116.292 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -80.67 -19.22 45.69 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 125.901 2.762 . . . . 0.0 114.566 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -88.58 -32.87 17.91 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.898 -1.955 . . . . 0.0 107.759 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.19 -51.34 70.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 167.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -69.69 -28.25 65.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.695 -1.878 . . . . 0.0 113.204 -172.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -62.01 -45.31 94.15 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 165.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.284 25.4 pt -60.75 -42.95 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 121.113 1.779 . . . . 0.0 115.588 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.66 -44.7 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.467 1.127 . . . . 0.0 112.412 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -68.85 -60.12 2.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.367 -1.458 . . . . 0.0 113.869 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.78 8.79 13.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 115.643 -2.423 . . . . 0.0 115.328 -155.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.3 mt -38.04 141.66 0.2 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 129.461 3.104 . . . . 0.0 114.593 159.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.9 p -83.3 175.84 9.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.231 -1.543 . . . . 0.0 110.875 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.89 -41.66 96.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.358 -1.464 . . . . 0.0 111.565 166.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -57.99 -37.44 74.25 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.59 -29.1 66.55 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.263 1.506 . . . . 0.0 113.111 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -85.87 -35.3 20.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.224 1.41 . . . . 0.0 110.914 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -60.74 -41.21 94.94 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.608 -1.308 . . . . 0.0 111.785 167.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 96.5 m -55.35 -44.64 76.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.536 1.134 . . . . 0.0 113.109 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.91 -31.39 56.66 Favored 'General case' 0 N--CA 1.432 -1.369 0 O-C-N 120.72 -1.237 . . . . 0.0 111.806 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.05 -39.71 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.397 -2.065 . . . . 0.0 114.295 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -66.32 -43.82 85.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.608 -1.308 . . . . 0.0 113.227 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -87.96 -35.88 17.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.904 -1.123 . . . . 0.0 112.802 -168.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -123.64 60.69 1.08 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.124 1.44 . . . . 0.0 107.311 -163.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -54.77 -71.46 0.08 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.12 -2.238 . . . . 0.0 116.536 -157.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.92 -35.49 74.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.249 -1.532 . . . . 0.0 112.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.26 -54.95 17.73 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.783 1.659 . . . . 0.0 113.735 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -75.77 -38.45 58.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.962 -1.316 . . . . 0.0 110.23 -174.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -55.5 -46.44 76.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.131 -2.231 . . . . 0.0 115.085 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -65.64 3.25 Favored Glycine 0 N--CA 1.429 -1.777 0 O-C-N 120.7 -1.25 . . . . 0.0 114.608 166.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -66.1 -23.32 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.205 -1.762 . . . . 0.0 115.081 -170.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -81.66 -12.55 58.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.47 -1.394 . . . . 0.0 113.137 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.55 -44.81 81.34 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 118.925 -2.36 . . . . 0.0 110.61 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.06 -53.88 38.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.921 2.488 . . . . 0.0 108.818 -174.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.91 -34.22 74.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.294 1.838 . . . . 0.0 111.49 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -78.15 -35.51 48.79 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 119.394 0.997 . . . . 0.0 110.501 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 13.2 ptp -80.62 -21.77 41.21 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 123.331 1.538 . . . . 0.0 112.768 -172.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -88.18 6.14 38.04 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.513 -1.367 . . . . 0.0 113.075 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -146.03 52.42 1.15 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.858 -1.152 . . . . 0.0 108.498 168.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -90.64 114.19 26.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.829 -1.795 . . . . 0.0 113.982 162.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 169.013 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 N--CA 1.431 -1.412 0 CA-C-O 123.098 1.427 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.546 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -123.44 -140.16 0.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 166.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -92.44 -46.94 7.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.931 -2.356 . . . . 0.0 110.877 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.17 -38.78 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.52 -46.03 63.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.36 1.864 . . . . 0.0 113.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.2 m -80.0 -37.3 34.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.909 -1.119 . . . . 0.0 112.238 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.51 -46.62 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-O 117.826 -1.083 . . . . 0.0 111.186 167.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -51.45 -41.41 60.85 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 118.808 2.892 . . . . 0.0 118.808 167.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.91 -35.9 64.69 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 121.622 2.01 . . . . 0.0 115.406 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.13 -33.8 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 171.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.43 -53.48 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 118.05 -2.906 . . . . 0.0 115.12 167.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 p -63.42 -49.53 73.37 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.311 -0.868 . . . . 0.0 111.48 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.03 -40.55 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.46 1.504 . . . . 0.0 111.574 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.84 69.48 Favored 'General case' 0 N--CA 1.43 -1.435 2 O-C-N 113.478 -5.764 . . . . 0.0 110.055 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.303 94.8 p -67.57 -11.08 57.26 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 175.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -70.25 -48.86 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 125.636 1.574 . . . . 0.0 109.292 160.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.85 -35.1 74.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.788 -1.82 . . . . 0.0 109.671 172.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.76 -32.56 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 122.016 2.189 . . . . 0.0 113.891 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -54.75 -43.37 72.66 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.132 1.787 . . . . 0.0 112.785 173.054 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.438 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.365 3.8 t 75.22 49.8 0.08 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 124.362 2.03 . . . . 0.0 112.277 -176.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -111.46 37.6 2.84 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 128.971 2.908 . . . . 0.0 106.236 164.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.21 -8.41 53.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.96 -44.56 1.72 Allowed 'General case' 0 N--CA 1.429 -1.507 1 C-N-CA 133.27 4.628 . . . . 0.0 117.011 156.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -66.66 -51.91 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.613 -1.929 . . . . 0.0 112.247 168.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -51.13 -39.11 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 23.6 tt0 -54.11 -25.21 20.84 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.39 3.076 . . . . 0.0 117.301 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -113.2 127.24 56.12 Favored 'General case' 0 N--CA 1.429 -1.523 0 O-C-N 119.456 -2.027 . . . . 0.0 112.76 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -44.14 -51.9 7.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.387 2.275 . . . . 0.0 114.618 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.48 27.19 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.663 -1.273 . . . . 0.0 113.308 -168.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.61 -26.6 64.52 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 120.091 -1.631 . . . . 0.0 110.738 173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.79 -53.15 23.36 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.045 1.748 . . . . 0.0 113.958 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.82 -38.89 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 128.334 2.654 . . . . 0.0 115.978 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.99 95.55 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.885 -1.76 . . . . 0.0 110.89 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.5 -31.2 69.31 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 120.491 -1.381 . . . . 0.0 113.816 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.78 -35.18 75.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 123.272 2.76 . . . . 0.0 114.514 171.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -75.84 -22.78 55.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.906 -1.746 . . . . 0.0 113.104 171.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.83 -50.7 16.22 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -83.95 -30.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.288 -2.133 . . . . 0.0 112.973 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.28 45.18 2.62 Favored Glycine 0 N--CA 1.431 -1.647 0 C-N-CA 125.546 1.545 . . . . 0.0 115.961 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.63 109.69 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.793 1.282 . . . . 0.0 108.741 164.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -100.78 152.72 20.16 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.914 -1.742 . . . . 0.0 107.441 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.546 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 25.6 t60 -82.62 -90.37 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.892 -1.755 . . . . 0.0 109.433 175.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.24 45.58 1.28 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.165 -1.584 . . . . 0.0 111.194 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.97 13.3 82.74 Favored Glycine 0 N--CA 1.43 -1.704 0 C-N-CA 117.378 -2.344 . . . . 0.0 114.823 -175.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -131.0 153.82 48.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 120.678 2.239 . . . . 0.0 111.058 172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -62.89 148.07 48.36 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 123.853 3.024 . . . . 0.0 115.161 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 125.32 36.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.375 -164.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -101.12 172.21 7.15 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.312 -166.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.19 -46.41 50.74 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -61.13 -44.55 97.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.354 1.062 . . . . 0.0 110.952 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -79.61 -20.71 46.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.76 -54.69 39.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 124.596 1.159 . . . . 0.0 109.956 162.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -62.37 -27.15 68.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -173.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.329 14.7 ptpt -66.13 -48.9 69.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.217 -0.927 . . . . 0.0 113.182 171.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.35 25.3 pt -58.55 -47.01 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.17 -34.99 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m -73.21 -57.81 3.76 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.291 3.0 pt-20 -81.25 9.16 7.41 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.544 -2.597 . . . . 0.0 117.326 -166.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -46.58 139.25 5.25 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.949 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.7 p -77.23 164.02 25.99 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.099 -1.626 . . . . 0.0 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -55.54 -38.64 69.55 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.413 -1.429 . . . . 0.0 113.069 174.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.29 -26.56 63.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.43 -37.2 71.48 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.987 -1.696 . . . . 0.0 108.507 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -72.65 -48.23 41.02 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 121.935 0.874 . . . . 0.0 110.485 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -60.71 -24.94 66.05 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -65.93 -45.86 80.32 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.061 -1.649 . . . . 0.0 110.682 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.21 -26.41 65.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.327 -1.483 . . . . 0.0 114.312 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.3 mm -71.96 -39.45 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 117.64 -1.624 . . . . 0.0 108.05 171.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.87 -31.59 56.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 114.018 -3.073 . . . . 0.0 119.078 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -75.13 -39.44 60.52 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.489 -2.007 . . . . 0.0 114.216 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -123.88 73.35 1.21 Allowed 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.817 -1.802 . . . . 0.0 110.35 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -55.64 -72.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -64.92 -53.25 49.41 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.174 -1.579 . . . . 0.0 110.968 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.18 -64.89 3.99 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-O 118.107 -1.385 . . . . 0.0 116.556 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -73.68 -16.31 61.21 Favored 'General case' 0 N--CA 1.43 -1.473 1 CA-C-N 124.534 4.167 . . . . 0.0 114.567 -171.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.21 -55.89 28.22 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 116.174 -2.211 . . . . 0.0 112.238 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.38 7.65 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 119.918 -1.739 . . . . 0.0 114.099 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.75 -16.8 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 O-C-N 116.432 -3.981 . . . . 0.0 112.667 -171.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -76.14 -28.34 57.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 121.23 1.832 . . . . 0.0 113.325 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -50.24 -45.92 54.4 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.662 1.574 . . . . 0.0 113.128 166.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.41 -61.31 1.97 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.56 1.944 . . . . 0.0 107.455 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -50.03 -49.08 52.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 124.691 3.405 . . . . 0.0 117.597 173.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.63 -47.77 78.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 120.505 1.502 . . . . 0.0 114.114 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 ptp -74.81 -20.24 59.86 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.486 -1.384 . . . . 0.0 114.658 -176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 15.1 m-85 -85.33 -8.9 58.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.148 -1.595 . . . . 0.0 109.906 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.0 OUTLIER -123.92 63.53 1.06 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 121.963 2.165 . . . . 0.0 108.167 166.279 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.53 130.72 44.57 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.153 -1.592 . . . . 0.0 108.262 159.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? . . . . . 0 N--CA 1.431 -1.412 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 172.323 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.455 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 2.1 mppt? -117.0 -156.86 0.64 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 121.134 1.788 . . . . 0.0 108.494 -175.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.51 -26.75 27.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.141 -2.224 . . . . 0.0 113.747 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 tt -56.36 -39.71 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 124.604 1.162 . . . . 0.0 111.796 170.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -58.14 -33.82 69.59 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.837 1.255 . . . . 0.0 113.976 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -46.25 90.7 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.243 1.496 . . . . 0.0 113.013 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.58 -42.3 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.304 -1.498 . . . . 0.0 111.588 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -51.04 -53.52 32.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.726 3.21 . . . . 0.0 113.793 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.85 -49.88 67.49 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.436 3.017 . . . . 0.0 114.581 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.268 30.5 mt -75.87 -19.54 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 112.046 -2.343 . . . . 0.0 112.343 -169.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.64 -58.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.155 2.582 . . . . 0.0 111.121 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -68.09 -35.67 78.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.4 -41.81 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-O 124.801 2.239 . . . . 0.0 116.581 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -65.44 -27.9 68.85 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.189 -2.819 . . . . 0.0 117.21 171.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.295 13.3 p -80.08 -16.33 55.25 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.457 -2.027 . . . . 0.0 108.405 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 13.1 mm -58.77 -49.73 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-O 124.148 1.928 . . . . 0.0 113.333 165.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.81 -29.63 68.84 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 128.216 3.865 . . . . 0.0 118.568 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.284 13.5 mt -68.42 -39.09 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 1 O-C-N 115.898 -4.251 . . . . 0.0 114.118 167.795 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.9 68.3 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.835 -1.791 . . . . 0.0 114.393 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -81.52 -2.22 49.02 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.914 -1.741 . . . . 0.0 115.314 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.0 t 81.0 31.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -122.04 55.34 1.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-O 123.618 1.675 . . . . 0.0 107.569 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.274 0.0 OUTLIER -65.7 -17.57 64.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.805 170.022 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.92 -33.35 36.85 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.75 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 117.122 -3.486 . . . . 0.0 113.678 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.26 -37.74 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.964 1.706 . . . . 0.0 113.388 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -56.94 -14.32 3.45 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.182 3.03 . . . . 0.0 119.182 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.07 154.94 42.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.536 -1.978 . . . . 0.0 109.576 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -65.53 -49.74 67.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.22 36.68 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.869 -1.769 . . . . 0.0 112.539 -158.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.91 -33.8 70.97 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.39 -58.71 7.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.967 2.107 . . . . 0.0 112.71 169.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt -50.99 -43.95 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 130.664 3.585 . . . . 0.0 113.781 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.87 77.72 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.827 -1.171 . . . . 0.0 113.809 171.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.97 -27.88 54.92 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 112.782 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.76 -39.26 73.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.476 -0.765 . . . . 0.0 110.881 166.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -72.22 -30.67 65.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.218 -1.551 . . . . 0.0 112.372 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.4 -63.22 1.19 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 120.253 1.388 . . . . 0.0 112.24 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.79 -18.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.602 -169.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.47 50.94 3.43 Favored Glycine 0 N--CA 1.43 -1.747 0 O-C-N 120.949 -1.094 . . . . 0.0 112.633 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 t -79.73 84.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-O 124.356 2.027 . . . . 0.0 109.91 160.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -97.99 119.79 37.23 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.064 -1.647 . . . . 0.0 106.949 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.455 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 6.6 t60 -68.12 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.485 -1.384 . . . . 0.0 112.549 -174.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.31 39.85 0.54 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 117.761 -3.087 . . . . 0.0 114.001 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.71 7.64 88.09 Favored Glycine 0 N--CA 1.43 -1.726 0 O-C-N 119.789 -1.819 . . . . 0.0 114.479 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -129.32 144.11 51.11 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.381 -1.658 . . . . 0.0 110.364 -168.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.315 61.8 mttp -60.87 144.92 51.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.1 124.68 41.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -164.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -94.59 164.26 13.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.051 1.341 . . . . 0.0 109.585 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.54 -39.95 77.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.32 -1.487 . . . . 0.0 113.289 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.09 -43.33 74.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.669 1.188 . . . . 0.0 112.797 171.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -70.51 -27.72 64.4 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.333 -1.479 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.29 -52.25 62.77 Favored 'General case' 0 N--CA 1.43 -1.472 1 C-N-CA 111.097 -4.241 . . . . 0.0 117.856 168.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . 0.263 33.5 ttt-85 -54.3 -23.34 14.76 Favored 'General case' 0 N--CA 1.43 -1.467 2 C-N-CA 109.871 -4.731 . . . . 0.0 121.889 179.849 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -78.17 -39.58 40.4 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.342 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.42 -35.7 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.231 1.832 . . . . 0.0 109.121 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.455 ' CG2' ' H ' ' B' ' 59' ' ' SER . 27.0 m -76.93 -39.11 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 113.703 -3.199 . . . . 0.0 114.492 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.455 ' H ' ' CG2' ' B' ' 58' ' ' VAL . 25.2 m -74.45 -35.63 63.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 113.97 -3.092 . . . . 0.0 113.749 -172.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.7 -5.68 55.67 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -165.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 129.05 22.37 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.103 1.361 . . . . 0.0 112.397 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -74.06 175.04 7.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.161 0.984 . . . . 0.0 110.836 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.2 -40.53 90.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.569 -1.957 . . . . 0.0 109.625 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.43 -42.59 96.4 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 175.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.16 -36.6 82.34 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.944 -1.098 . . . . 0.0 112.344 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.39 -37.97 31.23 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.934 -1.729 . . . . 0.0 110.012 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 120.233 1.379 . . . . 0.0 109.623 170.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.2 m -60.97 -45.48 94.58 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 124.202 1.954 . . . . 0.0 113.113 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.24 -33.91 74.29 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 112.989 -1.914 . . . . 0.0 115.558 169.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.79 -40.61 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 121.235 1.834 . . . . 0.0 110.498 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.2 -42.69 95.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.264 -2.148 . . . . 0.0 114.439 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.96 -50.28 8.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.817 0.818 . . . . 0.0 109.205 -177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -107.94 79.71 1.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.954 1.835 . . . . 0.0 110.86 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.69 -64.07 1.08 Allowed 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.307 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -73.78 -45.65 50.31 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.685 -1.259 . . . . 0.0 110.768 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.48 -61.34 6.01 Favored Glycine 0 N--CA 1.429 -1.783 0 C-N-CA 128.408 2.908 . . . . 0.0 109.956 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -39.26 25.66 Favored 'General case' 0 N--CA 1.428 -1.529 1 C-N-CA 110.166 -4.614 . . . . 0.0 117.33 -172.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.95 -41.01 77.5 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.441 1.473 . . . . 0.0 114.001 -171.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.26 -60.37 7.23 Favored Glycine 0 N--CA 1.431 -1.636 0 O-C-N 120.124 -1.61 . . . . 0.0 114.277 170.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.4 m -63.38 -26.92 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.233 -1.745 . . . . 0.0 114.029 -172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -74.73 -24.61 58.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.169 2.188 . . . . 0.0 114.083 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -60.33 -46.71 88.93 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 116.09 -2.244 . . . . 0.0 112.157 160.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -66.47 -55.42 15.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.058 0.943 . . . . 0.0 111.691 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -46.31 -52.88 11.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.956 1.702 . . . . 0.0 113.913 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.4 -48.98 77.33 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.501 1.521 . . . . 0.0 113.113 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -72.52 -26.37 61.73 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -82.81 -3.92 57.33 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.717 -1.239 . . . . 0.0 113.539 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -121.59 79.19 1.52 Allowed 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 160.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.01 124.93 51.71 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.644 -2.535 . . . . 0.0 108.257 168.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp . . . . . 0 N--CA 1.43 -1.471 0 O-C-N 120.64 -1.287 . . . . 0.0 112.624 165.532 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 . . . . . 0 N--CA 1.429 -1.502 0 CA-C-O 122.196 0.998 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.541 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 63.8 mmtt -113.75 -149.94 0.46 Allowed 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.872 2.069 . . . . 0.0 105.472 164.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.56 -53.31 7.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.967 -2.333 . . . . 0.0 110.805 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 tt -41.32 -49.5 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 129.315 3.046 . . . . 0.0 117.541 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.45 -37.87 8.34 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 128.309 2.644 . . . . 0.0 115.242 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.6 m -89.22 -38.27 14.37 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.446 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.91 -49.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-O 123.055 1.407 . . . . 0.0 110.869 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -46.39 -58.09 4.05 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 128.592 2.757 . . . . 0.0 114.222 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.4 -20.52 60.72 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -76.53 -35.06 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.197 -2.189 . . . . 0.0 110.541 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -57.54 -52.64 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.717 2.007 . . . . 0.0 112.843 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.292 5.9 p -55.04 -50.35 69.3 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.425 -1.422 . . . . 0.0 114.394 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.56 -53.34 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.253 2.221 . . . . 0.0 115.914 162.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.63 74.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 111.011 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.27 52.5 p -71.33 -17.44 62.44 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 168.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.88 -46.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 119.053 -2.28 . . . . 0.0 110.632 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -30.92 71.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.594 -1.316 . . . . 0.0 112.048 176.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.254 91.7 mt -76.47 -28.32 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 120.14 -1.6 . . . . 0.0 112.735 173.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -60.93 -45.75 93.45 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 125.592 1.557 . . . . 0.0 111.105 167.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -90.08 4.76 49.36 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 66.97 51.74 0.94 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 123.164 1.459 . . . . 0.0 114.054 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.5 44.95 2.86 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.005 2.522 . . . . 0.0 112.604 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.458 0.0 OUTLIER -62.39 -24.39 67.35 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 169.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -49.66 -7.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 120.168 3.396 . . . . 0.0 120.168 158.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.72 -44.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 O-C-N 120.373 -1.454 . . . . 0.0 109.957 164.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.92 -31.22 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 125.865 1.666 . . . . 0.0 111.025 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 22.8 pt-20 -64.49 -14.97 59.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -121.95 128.41 51.48 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.516 1.126 . . . . 0.0 111.197 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -59.83 3.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.7 1.6 . . . . 0.0 114.479 172.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.15 40.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.57 -1.956 . . . . 0.0 116.14 -170.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -45.98 -40.05 9.84 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.085 1.754 . . . . 0.0 115.154 167.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -68.16 -48.88 64.11 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.64 1.576 . . . . 0.0 113.567 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.47 -40.13 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 128.307 2.643 . . . . 0.0 114.022 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.97 94.4 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.324 -2.11 . . . . 0.0 113.087 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.265 7.8 t80 -58.75 -41.78 87.31 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.76 2.424 . . . . 0.0 111.826 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.91 -51.1 70.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.486 -1.383 . . . . 0.0 113.238 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -20.17 59.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.91 -1.744 . . . . 0.0 115.475 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.19 -56.77 17.54 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.119 -1.613 . . . . 0.0 113.393 163.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.0 pt -87.64 -11.99 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.72 36.07 7.0 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.31 128.14 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 CA-C-N 120.56 2.18 . . . . 0.0 109.46 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -123.76 151.18 43.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.769 1.227 . . . . 0.0 110.192 -169.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.541 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.304 17.5 t60 -79.68 -88.09 0.07 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.7 -1.25 . . . . 0.0 114.251 169.586 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -99.15 57.22 1.06 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.425 -2.047 . . . . 0.0 108.476 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.75 0.55 41.72 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -110.85 162.82 14.42 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.251 -2.323 . . . . 0.0 108.473 -171.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.92 140.96 55.13 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 108.555 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.81 138.62 31.41 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.903 -1.748 . . . . 0.0 107.909 -158.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.11 166.95 10.14 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -166.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -76.04 -47.92 22.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 121.09 1.768 . . . . 0.0 114.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -65.58 -42.93 91.18 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -85.98 -12.21 51.0 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.916 -1.74 . . . . 0.0 114.978 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -55.49 -54.62 41.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.508 -1.995 . . . . 0.0 112.754 156.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -58.63 -35.51 72.62 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 120.795 -1.191 . . . . 0.0 113.347 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -61.59 -45.68 93.09 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.326 -1.484 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.325 39.7 pt -59.3 -44.57 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 120.067 -1.646 . . . . 0.0 113.312 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.94 -36.76 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -90.7 -43.35 10.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.256 7.0 pt-20 -81.22 9.63 6.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 122.153 2.251 . . . . 0.0 115.355 -167.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.36 151.33 10.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.763 2.025 . . . . 0.0 112.054 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 p -93.36 169.51 10.32 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 109.136 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -55.8 -35.7 66.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 172.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.97 -44.61 60.9 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 175.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -53.85 -35.31 61.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 120.255 1.389 . . . . 0.0 114.169 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -77.06 -55.96 5.0 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.817 1.647 . . . . 0.0 109.798 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.62 -43.83 0.92 Allowed 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 161.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 m -59.57 -40.51 87.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.658 -1.276 . . . . 0.0 113.432 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.5 -32.1 42.38 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.946 -1.721 . . . . 0.0 112.652 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.37 -41.64 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.3 -2.125 . . . . 0.0 113.04 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -62.5 -44.99 95.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.138 1.532 . . . . 0.0 115.138 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.35 -24.44 20.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.55 -1.344 . . . . 0.0 112.491 -172.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -129.97 71.32 1.45 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.325 -2.11 . . . . 0.0 107.226 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -61.38 -71.18 0.15 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -167.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.64 -34.29 77.52 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.828 1.251 . . . . 0.0 111.451 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.48 -66.14 2.58 Favored Glycine 0 N--CA 1.429 -1.787 0 C-N-CA 125.805 1.669 . . . . 0.0 112.267 -170.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.276 0.8 OUTLIER -71.44 -41.2 69.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 117.01 -1.471 . . . . 0.0 110.584 -173.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -48.1 -51.62 23.82 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 121.766 2.075 . . . . 0.0 116.021 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -64.37 4.02 Favored Glycine 0 N--CA 1.43 -1.757 0 O-C-N 119.976 -1.703 . . . . 0.0 114.425 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -16.98 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.492 -2.181 . . . . 0.0 114.633 -176.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -81.68 -15.1 55.56 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.228 -2.17 . . . . 0.0 112.918 176.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -69.77 -43.71 71.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 115.987 -2.285 . . . . 0.0 111.499 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -64.33 -61.45 2.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.902 2.081 . . . . 0.0 108.136 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.77 -35.24 61.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -64.87 0.76 Allowed 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 120.491 1.496 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 ptp -55.36 -22.67 20.49 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.4 m-30 -81.07 -8.15 59.71 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.721 -1.237 . . . . 0.0 112.355 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 t -133.73 37.06 3.29 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.278 1.513 . . . . 0.0 109.327 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -103.86 129.94 51.38 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.903 1.335 . . . . 0.0 108.193 168.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt . . . . . 0 N--CA 1.43 -1.428 0 CA-C-N 114.66 -1.154 . . . . 0.0 112.551 -176.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 m120 . . . . . 0 N--CA 1.429 -1.494 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.478 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -135.05 -156.59 0.74 Allowed 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -173.189 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -79.38 -40.8 29.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.995 -2.316 . . . . 0.0 112.382 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.3 -43.27 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.071 2.548 . . . . 0.0 114.04 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -50.15 -45.38 53.17 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.004 2.122 . . . . 0.0 114.872 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -78.14 -42.66 31.07 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.549 0.739 . . . . 0.0 110.181 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.7 -42.06 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 119.31 -2.119 . . . . 0.0 115.079 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.361 15.5 ptt180 -72.54 -39.64 67.36 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.051 1.74 . . . . 0.0 115.523 -176.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.259 9.5 pt-20 -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.723 0.773 . . . . 0.0 111.962 167.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 mt -73.05 -31.53 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 O-C-N 118.543 -2.598 . . . . 0.0 113.38 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mt -50.67 -51.77 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.2 -2.812 . . . . 0.0 113.486 166.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -80.96 -23.77 38.57 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.926 -2.359 . . . . 0.0 110.428 -173.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.26 -37.17 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 126.748 2.019 . . . . 0.0 111.245 170.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -7.84 55.57 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.041 -2.912 . . . . 0.0 111.713 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.276 80.5 p -87.27 -25.92 23.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.062 169.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 mm -49.42 -52.53 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 122.545 1.164 . . . . 0.0 112.405 157.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.71 -46.93 88.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.71 -1.244 . . . . 0.0 114.174 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.66 -25.75 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 118.48 -2.638 . . . . 0.0 116.208 169.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -44.08 94.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.018 -2.301 . . . . 0.0 111.381 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.99 -1.5 39.94 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.713 2.005 . . . . 0.0 114.056 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 55.98 46.74 21.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.644 2.378 . . . . 0.0 115.375 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.62 56.83 0.67 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.914 1.685 . . . . 0.0 109.744 169.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.342 0.0 OUTLIER -72.38 -11.46 60.7 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -49.87 -35.03 21.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.375 2.27 . . . . 0.0 115.696 166.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -76.74 -39.07 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 O-C-N 120.582 -1.324 . . . . 0.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.2 -43.29 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.68 1.592 . . . . 0.0 111.701 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 21.5 tt0 -55.19 -24.62 27.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.803 3.241 . . . . 0.0 116.445 175.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.8 113.92 20.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.281 -1.512 . . . . 0.0 111.923 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -42.52 -53.73 4.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 128.921 2.888 . . . . 0.0 113.11 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.22 -16.45 60.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -85.12 -23.3 28.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.416 -2.053 . . . . 0.0 109.469 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -74.4 -49.39 22.8 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.989 1.716 . . . . 0.0 110.855 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.94 -41.01 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 130.111 3.364 . . . . 0.0 112.265 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.15 61.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.204 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.21 -33.83 67.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -41.39 91.88 Favored 'General case' 0 CA--C 1.488 -1.411 0 O-C-N 120.059 -1.65 . . . . 0.0 112.246 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.05 -31.28 69.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.874 -1.766 . . . . 0.0 113.603 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.66 -51.09 53.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.011 1.324 . . . . 0.0 112.76 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 22.2 pt -78.36 -23.68 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.79 31.39 11.27 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 116.609 -2.217 . . . . 0.0 115.772 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.21 124.87 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.963 3.381 . . . . 0.0 107.409 159.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.1 p -113.43 165.78 12.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.478 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.34 9.5 t60 -79.54 -98.86 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.868 163.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.3 60.56 0.83 Allowed 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.594 -1.941 . . . . 0.0 109.499 -176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.69 -5.99 59.67 Favored Glycine 0 N--CA 1.431 -1.66 0 O-C-N 120.452 -1.405 . . . . 0.0 114.348 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -103.99 144.57 31.37 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.461 1.905 . . . . 0.0 110.323 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.8 132.89 50.74 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 112.367 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.832 1.301 . . . . 0.0 111.873 -162.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -97.46 164.98 12.22 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.924 1.29 . . . . 0.0 111.909 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.33 -41.76 98.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.964 -1.71 . . . . 0.0 115.01 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -71.07 -41.77 70.27 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.032 -1.667 . . . . 0.0 113.372 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 41.3 m -77.19 -23.63 51.48 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.851 1.26 . . . . 0.0 113.557 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.25 -49.5 73.88 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.436 1.495 . . . . 0.0 110.715 165.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -66.22 -31.05 71.65 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -173.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -60.84 -53.1 61.51 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.815 -1.178 . . . . 0.0 113.363 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.333 31.3 pt -52.07 -47.38 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.899 -1.126 . . . . 0.0 113.967 -178.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.78 -48.97 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 65.4 m -74.06 -48.29 30.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.081 -1.637 . . . . 0.0 114.288 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.54 6.48 12.36 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -164.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.75 147.12 9.28 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.243 1.417 . . . . 0.0 112.934 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 70.8 p -83.3 171.88 13.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.788 -1.195 . . . . 0.0 110.258 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.61 -44.2 96.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.653 -1.279 . . . . 0.0 110.852 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.45 -26.23 65.4 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.64 -37.64 70.84 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.784 -1.822 . . . . 0.0 112.041 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -76.42 -41.95 45.91 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.438 -1.414 . . . . 0.0 110.304 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.26 62.17 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.442 1.497 . . . . 0.0 113.162 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.6 m -58.96 -40.88 86.06 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 121.758 0.789 . . . . 0.0 112.603 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.84 -44.16 67.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.424 -1.423 . . . . 0.0 111.858 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.39 -44.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.18 -1.575 . . . . 0.0 113.917 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.88 -42.95 94.87 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.929 2.091 . . . . 0.0 115.354 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -100.57 -42.4 6.57 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.741 -1.225 . . . . 0.0 113.151 -171.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -103.22 47.11 0.89 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.32 -2.112 . . . . 0.0 108.798 -169.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -44.41 -68.39 0.2 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 127.361 2.265 . . . . 0.0 114.816 -165.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.65 -58.94 6.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.174 2.19 . . . . 0.0 115.454 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.7 -40.97 51.89 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.861 -1.15 . . . . 0.0 114.493 -168.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.316 0.3 OUTLIER -73.06 -40.5 65.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.167 -1.396 . . . . 0.0 110.6 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.56 -54.72 3.81 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 122.748 2.522 . . . . 0.0 115.632 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.99 -64.73 3.82 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.893 -1.129 . . . . 0.0 115.214 171.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -68.61 -22.88 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.734 -2.627 . . . . 0.0 114.765 -171.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -75.28 -19.42 59.7 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.296 -2.128 . . . . 0.0 113.27 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -61.23 -44.33 97.44 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.794 -1.816 . . . . 0.0 111.357 162.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.53 -46.59 66.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.77 1.628 . . . . 0.0 109.804 -175.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.75 -25.97 61.38 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.886 -1.759 . . . . 0.0 113.011 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -82.99 -37.66 23.7 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.479 1.036 . . . . 0.0 110.237 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -75.82 -29.48 58.68 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.526 -1.359 . . . . 0.0 113.377 -170.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.8 m-85 -87.03 -1.63 58.02 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.905 -1.747 . . . . 0.0 111.14 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.287 6.5 t -139.25 54.16 1.72 Allowed 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.718 -1.239 . . . . 0.0 110.557 172.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -80.25 127.29 32.18 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 154.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.43 -1.462 0 O-C-N 120.323 -1.486 . . . . 0.0 107.424 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 . . . . . 0 N--CA 1.43 -1.473 0 CA-C-O 122.221 1.01 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.551 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -110.47 145.57 37.43 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.53 1.932 . . . . 0.0 107.081 171.254 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -91.84 -48.78 6.6 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.881 1.324 . . . . 0.0 110.433 -169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.65 -45.8 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.353 2.661 . . . . 0.0 115.195 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -46.8 69.92 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.877 2.471 . . . . 0.0 112.493 174.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -72.08 -25.62 61.84 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.961 -1.712 . . . . 0.0 113.122 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.53 -32.47 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.269 -2.145 . . . . 0.0 111.725 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -73.01 -47.81 41.79 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.802 2.441 . . . . 0.0 113.167 -172.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.41 -45.72 92.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.082 -1.636 . . . . 0.0 114.298 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.9 mt -66.94 -27.32 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.709 -1.869 . . . . 0.0 113.813 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -56.72 -52.41 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 119.817 -1.802 . . . . 0.0 111.601 167.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -59.69 -43.94 93.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.166 -1.584 . . . . 0.0 114.397 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.16 -44.35 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.875 2.47 . . . . 0.0 114.089 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.26 74.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.129 -2.232 . . . . 0.0 112.566 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 p -62.56 -29.88 70.9 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.53 -52.98 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.382 1.473 . . . . 0.0 112.222 168.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.32 -42.87 92.42 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.334 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.39 -33.86 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.035 -1.666 . . . . 0.0 114.037 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -53.96 -37.32 63.81 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.767 -1.833 . . . . 0.0 114.016 167.021 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -95.69 9.15 41.33 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.509 1.924 . . . . 0.0 114.052 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 59.62 36.44 22.61 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -108.66 54.05 0.67 Allowed 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.098 -2.251 . . . . 0.0 112.111 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.279 0.0 OUTLIER -71.18 -13.41 61.92 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.139 1.904 . . . . 0.0 116.139 178.369 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -44.44 -42.48 7.05 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.189 2.596 . . . . 0.0 116.598 164.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 mt -72.94 -42.54 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.681 -1.262 . . . . 0.0 110.594 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.26 -44.4 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 126.418 1.887 . . . . 0.0 112.849 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 5.5 pt-20 -58.29 -11.93 3.21 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 120.889 3.663 . . . . 0.0 120.889 -170.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -129.09 120.26 25.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.496 -1.377 . . . . 0.0 110.41 175.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HG3' ' H ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -46.78 -52.17 14.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.886 2.074 . . . . 0.0 114.792 177.411 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' H ' ' HG3' ' A' ' 30' ' ' ARG . . . -61.39 -46.59 89.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.91 -1.744 . . . . 0.0 114.983 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.97 -32.91 73.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -65.31 -48.85 71.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.169 2.187 . . . . 0.0 112.59 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -51.19 -42.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 128.425 2.69 . . . . 0.0 114.319 169.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.06 71.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.916 1.286 . . . . 0.0 109.344 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.04 -40.39 70.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.369 2.268 . . . . 0.0 115.809 168.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.95 -36.65 72.85 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.391 -2.068 . . . . 0.0 113.475 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.49 -1.381 . . . . 0.0 113.856 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.37 -54.56 9.08 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.293 1.037 . . . . 0.0 113.489 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -11.76 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 121.25 -0.906 . . . . 0.0 112.568 -171.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.26 25.28 12.73 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 170.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.55 112.15 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 119.903 1.852 . . . . 0.0 111.455 171.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -102.25 156.54 17.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.824 -1.172 . . . . 0.0 108.295 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.264 23.0 t60 -80.03 -96.07 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.57 51.92 1.19 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.39 1.567 . . . . 0.0 110.43 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.18 -6.23 80.25 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 126.594 2.045 . . . . 0.0 114.186 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -114.77 157.28 23.44 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.524 1.53 . . . . 0.0 113.492 -169.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -65.58 135.56 55.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.855 1.262 . . . . 0.0 111.687 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.24 129.76 34.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.406 1.574 . . . . 0.0 113.737 -165.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -96.66 155.3 16.83 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.855 2.062 . . . . 0.0 111.598 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.11 -39.11 86.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.457 -1.402 . . . . 0.0 114.328 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -69.18 -45.86 68.93 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.406 -1.434 . . . . 0.0 113.657 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m -76.38 -18.78 58.69 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.246 1.418 . . . . 0.0 113.386 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.03 -49.11 73.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.464 1.506 . . . . 0.0 111.446 165.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.73 -22.49 60.87 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.925 -1.734 . . . . 0.0 112.137 -170.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -66.47 -52.91 41.13 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 120.346 1.43 . . . . 0.0 114.225 163.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 41.3 pt -50.79 -47.26 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 126.22 1.808 . . . . 0.0 114.106 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.31 -49.21 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.444 -1.41 . . . . 0.0 114.505 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -84.03 -33.37 24.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -85.77 5.42 32.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 121.912 2.142 . . . . 0.0 116.108 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -58.86 148.26 30.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.928 -1.732 . . . . 0.0 113.249 -166.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.9 p -75.3 168.16 20.52 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.664 -1.898 . . . . 0.0 109.378 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.25 -43.75 95.84 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.218 -1.551 . . . . 0.0 111.45 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -61.84 -37.28 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.99 -41.8 95.08 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.904 1.282 . . . . 0.0 112.149 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -74.27 -41.09 61.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.493 -2.004 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -61.87 -31.18 71.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.07 1.348 . . . . 0.0 112.232 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.8 m -62.06 -44.53 96.49 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-O 121.97 0.891 . . . . 0.0 112.796 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.39 -45.35 84.37 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 111.357 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.57 -39.34 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.439 -1.413 . . . . 0.0 114.363 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -61.07 -37.94 84.44 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.763 -1.836 . . . . 0.0 115.516 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -103.47 -28.07 12.01 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -118.5 49.42 1.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.084 -1.635 . . . . 0.0 109.82 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -39.43 -69.4 0.13 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -174.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.86 -30.81 59.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.621 1.568 . . . . 0.0 112.336 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.84 -57.65 7.67 Favored Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 126.294 1.902 . . . . 0.0 111.084 -171.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.356 0.3 OUTLIER -70.52 -48.53 55.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 116.157 -1.878 . . . . 0.0 109.507 -178.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -42.42 -50.93 5.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 123.813 3.006 . . . . 0.0 118.002 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.8 -53.59 11.36 Favored Glycine 0 N--CA 1.43 -1.727 0 O-C-N 120.391 -1.443 . . . . 0.0 114.555 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.5 m -72.7 -19.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 119.16 -2.376 . . . . 0.0 112.497 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -74.74 -26.57 59.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.473 -1.392 . . . . 0.0 112.587 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -64.82 -33.9 77.1 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.812 -1.805 . . . . 0.0 111.522 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.65 -64.23 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.72 -22.2 4.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.1 -48.72 17.0 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.77 -1.206 . . . . 0.0 111.104 174.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.5 ptp -77.77 -18.23 56.67 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.051 -1.655 . . . . 0.0 113.669 -171.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -88.11 -5.53 58.4 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.393 1.477 . . . . 0.0 111.815 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -142.66 84.88 1.87 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.067 -1.021 . . . . 0.0 111.077 174.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -121.69 98.07 5.79 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.152 -1.592 . . . . 0.0 107.989 167.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 N--CA 1.43 -1.431 0 O-C-N 120.83 -1.169 . . . . 0.0 108.369 176.312 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 N--CA 1.43 -1.472 0 CA-C-O 121.941 0.876 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.52 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 2.2 mppt? -111.65 151.68 28.54 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.01 -59.5 2.74 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.312 -1.492 . . . . 0.0 109.783 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -46.53 -47.47 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.49 -42.63 96.73 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 125.589 1.556 . . . . 0.0 111.698 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -63.95 -42.16 97.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.44 -1.413 . . . . 0.0 114.218 170.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.12 -44.39 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.114 -2.242 . . . . 0.0 112.152 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -52.78 -55.26 24.18 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 130.975 3.71 . . . . 0.0 112.535 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.93 -34.32 77.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.593 -1.942 . . . . 0.0 114.817 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -70.29 -38.62 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 119.957 -1.714 . . . . 0.0 111.405 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -51.09 -45.8 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 127.513 2.325 . . . . 0.0 115.066 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -72.66 -38.17 67.72 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -55.96 -41.65 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 125.301 1.44 . . . . 0.0 114.659 161.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.92 85.16 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.669 -1.895 . . . . 0.0 112.392 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.6 p -70.56 -13.53 62.14 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.798 -1.814 . . . . 0.0 115.522 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -50.39 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.485 -1.384 . . . . 0.0 111.281 163.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mp -64.0 -36.19 83.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.127 -1.608 . . . . 0.0 112.74 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.47 -28.43 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.458 -1.401 . . . . 0.0 112.931 175.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -38.92 90.08 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.925 1.29 . . . . 0.0 112.157 167.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -92.18 8.29 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.209 -1.557 . . . . 0.0 115.112 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 66.98 34.12 5.38 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.546 1.538 . . . . 0.0 113.803 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -114.12 41.56 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.253 1.821 . . . . 0.0 112.344 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.435 0.0 OUTLIER -59.32 -24.46 63.34 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 170.635 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -35.53 -42.59 0.23 Allowed 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 157.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -74.57 -45.73 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.417 -1.427 . . . . 0.0 111.184 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.1 -33.59 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 127.242 2.217 . . . . 0.0 112.92 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 8.6 pt-20 -70.62 -14.33 62.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -119.56 117.83 29.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.344 1.057 . . . . 0.0 109.932 173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -50.62 -43.13 56.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.281 1.433 . . . . 0.0 112.316 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.6 63.46 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -79.27 -38.94 34.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.696 -1.877 . . . . 0.0 109.07 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -55.99 -53.52 55.86 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.407 1.483 . . . . 0.0 112.636 171.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -52.58 -44.97 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 127.736 2.414 . . . . 0.0 114.159 173.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.13 -30.33 70.31 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -79.47 -37.44 36.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.964 1.306 . . . . 0.0 108.978 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.49 -50.18 73.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.978 1.311 . . . . 0.0 111.867 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -59.29 -43.52 92.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.96 -60.17 3.18 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.33 1.052 . . . . 0.0 113.029 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.52 45.76 5.42 Favored Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.565 -1.959 . . . . 0.0 116.666 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.33 131.39 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 118.921 1.361 . . . . 0.0 110.001 163.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.5 p -131.32 145.67 51.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.796 -1.19 . . . . 0.0 113.29 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.52 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.304 33.2 t60 -70.47 -84.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.526 -1.984 . . . . 0.0 114.208 167.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -96.21 42.54 1.09 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.284 -1.51 . . . . 0.0 111.057 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 23.76 72.82 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 119.793 -1.817 . . . . 0.0 115.263 -169.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -133.64 167.36 20.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.46 143.04 53.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.187 -1.571 . . . . 0.0 112.818 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.96 125.34 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.084 0.945 . . . . 0.0 109.565 -168.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -101.66 167.72 9.93 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.192 1.397 . . . . 0.0 113.491 -167.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.93 -48.12 82.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.917 2.087 . . . . 0.0 113.778 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -70.2 -58.43 3.79 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.639 1.576 . . . . 0.0 112.774 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -59.89 -28.25 67.4 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.9 -2.375 . . . . 0.0 117.035 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -52.94 -58.29 7.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-O 124.268 1.985 . . . . 0.0 113.305 162.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -63.72 -14.73 54.95 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.007 -1.683 . . . . 0.0 114.442 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER -81.93 -50.96 8.57 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 116.635 -2.026 . . . . 0.0 109.031 170.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.288 28.9 pt -53.79 -50.54 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 120.227 -1.546 . . . . 0.0 114.633 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.24 -34.19 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -77.09 -50.73 12.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.27 6.2 pt-20 -87.12 10.67 15.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -161.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.33 142.82 7.03 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.3 -1.5 . . . . 0.0 113.393 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -84.65 175.36 9.27 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -175.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.6 -44.46 93.95 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.616 -1.303 . . . . 0.0 110.201 172.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.19 -46.72 79.29 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -61.97 -30.55 71.0 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.06 -37.1 34.61 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.573 -1.329 . . . . 0.0 109.021 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -64.39 -39.27 93.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.126 -1.608 . . . . 0.0 111.005 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -53.2 -47.72 68.68 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.295 1.438 . . . . 0.0 113.139 171.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.06 -35.98 72.12 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.335 -2.103 . . . . 0.0 113.037 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -41.81 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.882 -1.761 . . . . 0.0 114.12 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.68 -38.33 76.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.87 -20.9 20.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -138.51 64.63 1.49 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.523 -1.986 . . . . 0.0 107.148 -168.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.29 -65.81 0.59 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.558 -1.964 . . . . 0.0 114.663 -161.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -56.14 -57.08 13.72 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.05 1.74 . . . . 0.0 114.414 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.91 -56.73 22.46 Favored Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 125.849 1.69 . . . . 0.0 114.091 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . 0.428 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.3 8.2 t80 -76.94 -27.07 54.7 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 118.175 0.988 . . . . 0.0 111.761 -172.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -52.71 -60.22 3.52 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 122.598 2.454 . . . . 0.0 114.245 169.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -59.76 9.0 Favored Glycine 0 N--CA 1.431 -1.688 0 O-C-N 121.213 -0.929 . . . . 0.0 114.537 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' B' ' 77' ' ' PHE . 4.7 m -68.25 -21.41 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.357 -2.26 . . . . 0.0 114.901 -173.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.51 -14.13 57.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.402 -2.061 . . . . 0.0 113.444 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -68.15 -37.47 81.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.591 -2.568 . . . . 0.0 111.912 161.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.08 -64.4 0.88 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.128 2.171 . . . . 0.0 108.337 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.3 mt -49.61 -47.28 49.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.955 -1.716 . . . . 0.0 112.708 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.04 -37.97 84.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.291 17.3 ptp -74.96 -29.74 61.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 124.149 1.928 . . . . 0.0 111.062 -172.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.7 m-85 -83.36 -0.15 48.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.715 -1.241 . . . . 0.0 112.93 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.397 4.8 t -151.23 51.7 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.573 1.178 . . . . 0.0 110.981 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.13 101.9 9.06 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 121.083 -1.01 . . . . 0.0 110.524 150.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.43 -1.427 0 C-N-CA 123.868 0.867 . . . . 0.0 109.116 173.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.9 m120 . . . . . 0 N--CA 1.431 -1.425 0 CA-C-O 121.871 0.843 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -111.15 -132.04 0.32 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.514 -1.366 . . . . 0.0 111.279 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.42 -46.62 82.44 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.13 2.972 . . . . 0.0 113.14 170.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.34 -45.39 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 130.588 3.555 . . . . 0.0 115.606 -170.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -64.92 -35.7 81.99 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -66.99 -39.6 87.2 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.565 1.146 . . . . 0.0 110.197 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.99 -46.09 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.497 -1.377 . . . . 0.0 112.775 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -49.96 -47.04 52.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.94 2.096 . . . . 0.0 114.784 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.05 -37.51 87.82 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 123.503 1.621 . . . . 0.0 113.751 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.37 -21.83 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 118.963 -2.335 . . . . 0.0 112.499 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.67 -46.91 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 128.178 2.591 . . . . 0.0 112.11 168.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' ILE . 17.1 p -66.62 -55.17 16.53 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.608 -1.308 . . . . 0.0 111.128 -178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -42.2 -48.08 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 165.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.56 56.95 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 116.623 -3.798 . . . . 0.0 111.42 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -82.04 -11.23 58.92 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.038 -1.664 . . . . 0.0 112.302 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 13' ' ' THR . 4.9 mm -68.24 -49.35 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 123.805 1.764 . . . . 0.0 107.868 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 5.8 mt -57.76 -42.3 83.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.541 -1.663 . . . . 0.0 112.534 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mt -71.66 -26.37 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.077 -2.264 . . . . 0.0 112.552 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -41.49 86.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.888 1.222 . . . . 0.0 110.616 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.41 -10.44 43.86 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t 70.9 46.39 0.49 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 126.584 1.953 . . . . 0.0 111.074 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -108.49 51.16 0.75 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.107 2.163 . . . . 0.0 106.753 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -73.98 -16.45 61.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.085 -1.635 . . . . 0.0 114.818 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -35.83 -49.64 0.62 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.289 3.036 . . . . 0.0 117.937 160.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.95 -45.19 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 124.183 0.993 . . . . 0.0 109.87 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.22 -39.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.716 1.606 . . . . 0.0 113.296 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.6 -17.75 63.19 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.8 3.24 . . . . 0.0 118.247 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -126.23 127.73 46.1 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.544 -1.972 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -46.52 -60.9 2.07 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.633 2.373 . . . . 0.0 114.942 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.3 -25.08 59.36 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.678 -1.264 . . . . 0.0 112.68 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.5 -26.85 55.71 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.981 -1.074 . . . . 0.0 110.291 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.25 -50.15 23.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.148 1.779 . . . . 0.0 112.316 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -55.9 -35.91 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.273 1.829 . . . . 0.0 114.976 172.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.21 90.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.806 1.289 . . . . 0.0 111.996 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 8.4 t80 -61.53 -32.73 72.79 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.136 2.174 . . . . 0.0 113.041 171.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.3 -34.95 75.48 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.792 -1.817 . . . . 0.0 112.332 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -73.73 -22.7 59.81 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.175 -1.578 . . . . 0.0 111.73 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -74.55 -63.69 1.19 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.393 1.877 . . . . 0.0 114.816 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -18.03 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.486 -1.384 . . . . 0.0 109.942 -175.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.97 26.41 11.53 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 157.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.68 120.93 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-O 122.254 1.026 . . . . 0.0 109.461 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.8 p -108.0 155.16 20.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.921 1.288 . . . . 0.0 110.213 -168.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.269 21.6 t60 -84.43 -89.82 0.1 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.06 -1.025 . . . . 0.0 111.774 165.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 40.9 mt-10 -91.66 42.31 1.1 Allowed 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 118.973 -2.329 . . . . 0.0 111.354 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.4 -3.55 86.08 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.585 -1.322 . . . . 0.0 112.55 -174.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -117.93 163.64 16.25 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.41 146.19 52.24 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.6 1.19 . . . . 0.0 112.785 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 128.64 34.66 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 123.254 1.502 . . . . 0.0 113.044 -171.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -91.89 155.62 18.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.631 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.69 -33.09 70.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -76.48 -46.79 25.3 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 117.337 -3.352 . . . . 0.0 108.936 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -68.7 -19.28 64.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.647 2.476 . . . . 0.0 116.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -68.9 -44.45 73.14 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.994 1.378 . . . . 0.0 112.105 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -66.03 -24.25 66.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.519 -1.363 . . . . 0.0 111.536 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.315 28.0 pttt -71.54 -44.8 63.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 169.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.368 9.6 pt -58.18 -45.49 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 m -79.85 -38.46 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -92.31 -40.68 10.8 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.1 2.01 14.08 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.889 2.132 . . . . 0.0 115.919 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.32 137.59 6.22 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.107 2.163 . . . . 0.0 115.619 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.1 p -76.99 171.63 14.49 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 122.257 1.027 . . . . 0.0 111.541 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -74.87 -27.95 60.46 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.059 -1.651 . . . . 0.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.14 -41.27 81.9 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.846 167.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.12 -30.13 68.33 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 123.582 2.901 . . . . 0.0 113.318 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.35 -48.51 67.28 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.746 -1.221 . . . . 0.0 110.73 168.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.16 -27.52 65.74 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 120.986 1.721 . . . . 0.0 111.092 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -72.37 -41.93 65.81 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.281 -1.512 . . . . 0.0 112.669 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.03 -32.67 70.93 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 121.609 2.004 . . . . 0.0 111.109 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.29 -44.56 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.836 1.654 . . . . 0.0 113.016 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.25 -48.72 78.13 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.139 -1.6 . . . . 0.0 115.091 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -73.59 -35.41 65.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -174.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.01 77.28 1.75 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.776 -1.828 . . . . 0.0 114.309 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -53.83 -70.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -71.29 -41.9 69.38 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.918 -1.114 . . . . 0.0 112.922 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.51 -62.08 6.67 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 117.727 1.851 . . . . 0.0 117.727 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.22 -27.86 62.8 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.333 2.566 . . . . 0.0 110.791 -172.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.07 -58.51 7.04 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.156 -2.215 . . . . 0.0 114.085 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.08 -66.82 2.31 Favored Glycine 0 N--CA 1.431 -1.695 0 N-CA-C 115.196 0.838 . . . . 0.0 115.196 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 0.0 OUTLIER -64.96 -28.15 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.689 -2.654 . . . . 0.0 116.9 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.65 -15.86 60.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.374 2.352 . . . . 0.0 112.973 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -67.88 -43.14 80.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.478 -2.639 . . . . 0.0 113.956 167.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.17 -58.85 6.62 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 109.684 -3.417 . . . . 0.0 112.134 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.67 -43.63 80.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.083 -2.26 . . . . 0.0 115.192 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.62 -43.81 88.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 113.025 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.2 ptp -79.87 -30.39 40.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.062 1.301 . . . . 0.0 114.133 -169.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -75.74 5.72 5.86 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.35 0.2 OUTLIER -134.03 59.04 1.75 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.097 -1.627 . . . . 0.0 108.12 171.661 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.97 125.55 51.65 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -174.164 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 m120 . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -128.45 -162.61 1.2 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.12 1.768 . . . . 0.0 111.266 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.73 -47.61 82.81 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.867 -1.771 . . . . 0.0 111.072 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tt -56.51 -37.18 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -59.49 -47.64 84.72 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.444 1.897 . . . . 0.0 112.428 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -67.27 -42.16 84.31 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.521 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.75 -50.17 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 124.515 1.126 . . . . 0.0 113.056 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.25 8.0 ttt180 -53.4 -43.33 67.81 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.881 2.472 . . . . 0.0 116.724 174.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.49 -43.09 95.23 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.945 -1.722 . . . . 0.0 112.959 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 mt -70.72 -30.25 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.581 -1.324 . . . . 0.0 112.306 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -57.96 -52.92 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 126.696 1.998 . . . . 0.0 112.251 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -69.61 -41.0 76.28 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.05 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.258 3.6 t -49.78 -41.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.504 1.921 . . . . 0.0 115.287 167.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -23.11 33.85 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.297 -2.127 . . . . 0.0 111.444 -172.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.7 p -72.24 -23.11 61.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.808 1.243 . . . . 0.0 114.025 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.52 -47.63 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 124.733 1.213 . . . . 0.0 109.857 166.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.42 -32.66 73.55 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.279 27.0 mt -70.01 -35.65 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 120.644 -1.285 . . . . 0.0 113.769 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -42.63 77.09 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.866 -1.771 . . . . 0.0 114.945 168.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -88.26 7.75 30.63 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t 64.69 42.48 4.68 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.557 -1.339 . . . . 0.0 114.089 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -126.5 45.05 2.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.398 1.571 . . . . 0.0 110.317 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.385 0.0 OUTLIER -65.36 -17.5 64.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.041 175.256 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.83 -15.65 43.65 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.69 -58.48 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.527 1.131 . . . . 0.0 108.824 164.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -55.15 -38.44 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 128.057 2.543 . . . . 0.0 113.604 -173.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.74 -11.91 14.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.646 3.179 . . . . 0.0 117.226 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -127.49 117.21 21.66 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.229 -1.545 . . . . 0.0 110.787 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -39.66 -49.21 2.22 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.082 2.553 . . . . 0.0 114.751 171.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.18 -32.8 24.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.968 -1.708 . . . . 0.0 111.745 -166.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -74.18 -29.13 61.62 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.716 0.77 . . . . 0.0 112.124 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -60.83 -54.05 49.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.473 1.509 . . . . 0.0 112.94 170.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.15 -39.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.724 2.81 . . . . 0.0 114.749 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.58 94.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.748 -1.845 . . . . 0.0 112.217 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.257 8.4 t80 -66.67 -34.41 77.8 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.914 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.24 -34.87 75.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.543 -1.973 . . . . 0.0 112.734 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.21 -40.72 74.39 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.358 -1.464 . . . . 0.0 109.72 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.42 -52.58 37.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.848 2.059 . . . . 0.0 114.912 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -86.3 -24.4 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.406 -1.434 . . . . 0.0 112.641 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 51.04 2.72 Favored Glycine 0 N--CA 1.431 -1.694 0 O-C-N 121.346 -0.846 . . . . 0.0 113.755 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.98 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 162.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.4 p -123.27 148.21 46.15 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.156 -1.383 . . . . 0.0 110.168 -169.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -75.08 -104.35 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.187 -0.946 . . . . 0.0 111.188 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.72 45.43 0.59 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.067 -2.27 . . . . 0.0 112.366 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.53 8.43 87.75 Favored Glycine 0 N--CA 1.43 -1.734 0 O-C-N 119.974 -1.704 . . . . 0.0 113.751 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -105.71 167.81 9.52 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.797 1.239 . . . . 0.0 113.038 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -76.93 120.91 22.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.778 -1.827 . . . . 0.0 110.373 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 121.94 21.97 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -173.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.29 165.51 12.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.794 -1.191 . . . . 0.0 110.313 -172.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.52 -40.95 73.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.209 -1.557 . . . . 0.0 114.013 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -64.82 -48.67 73.53 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.245 -0.909 . . . . 0.0 110.517 172.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 m -74.72 -22.09 59.02 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.85 -49.1 78.99 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.759 -2.463 . . . . 0.0 114.553 162.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -64.96 -31.95 73.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.216 -1.553 . . . . 0.0 113.114 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.363 32.4 pttt -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 168.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.281 18.3 pt -59.25 -50.74 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.983 -1.698 . . . . 0.0 113.614 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.63 -41.01 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -173.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -68.0 -58.44 4.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.302 7.5 pt-20 -79.54 11.84 2.85 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -162.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.89 135.65 41.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.845 -1.784 . . . . 0.0 111.916 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -76.13 173.89 10.75 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.476 -1.39 . . . . 0.0 111.063 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.932 -1.73 . . . . 0.0 110.929 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -84.21 -27.09 28.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.46 -33.78 54.58 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.204 -1.56 . . . . 0.0 112.705 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -67.94 -54.1 21.26 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.368 1.467 . . . . 0.0 109.933 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.81 -42.44 0.59 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.793 2.037 . . . . 0.0 114.88 163.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 45.3 m -69.82 -37.07 76.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 123.544 1.64 . . . . 0.0 113.012 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.38 -34.1 74.03 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.901 -1.124 . . . . 0.0 113.923 172.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.96 -43.17 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.866 -1.146 . . . . 0.0 111.91 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -55.81 -58.52 7.52 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.159 1.384 . . . . 0.0 113.123 172.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -16.59 34.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.82 52.64 1.98 Allowed 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 118.811 -2.43 . . . . 0.0 114.079 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -39.77 -69.23 0.13 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.078 3.362 . . . . 0.0 120.078 -176.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -56.2 -51.98 66.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.663 1.585 . . . . 0.0 113.027 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.47 -53.23 10.44 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.262 1.41 . . . . 0.0 111.644 -169.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.258 1.0 OUTLIER -74.59 -38.4 62.64 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 115.801 -2.047 . . . . 0.0 109.166 -171.038 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -57.45 -46.69 83.32 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 124.523 3.329 . . . . 0.0 114.907 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -58.36 11.89 Favored Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 121.685 2.039 . . . . 0.0 115.071 172.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.74 -23.58 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.987 -1.89 . . . . 0.0 114.095 -173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -76.98 -20.56 55.94 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.541 -1.974 . . . . 0.0 113.84 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -57.83 -50.92 71.66 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 122.595 2.452 . . . . 0.0 112.437 154.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . 0.448 ' HD1' ' H ' ' B' ' 83' ' ' TYR . 5.6 m-85 -64.32 -61.91 1.94 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -43.03 -54.82 4.1 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.82 -49.6 72.82 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.7 ptp -65.39 -33.81 76.84 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.95 0.06 33.02 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -172.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -131.99 46.88 2.59 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.589 1.185 . . . . 0.0 110.179 173.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -87.62 130.07 34.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.995 -1.691 . . . . 0.0 108.324 167.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt . . . . . 0 N--CA 1.43 -1.437 0 O-C-N 120.327 -1.483 . . . . 0.0 107.572 177.023 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -119.25 142.06 48.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 122.323 2.329 . . . . 0.0 108.561 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -83.02 -39.4 21.32 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.56 -1.337 . . . . 0.0 114.272 -164.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -52.16 -51.23 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.687 2.395 . . . . 0.0 115.968 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -65.97 -31.16 71.91 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 m -66.1 -36.55 83.47 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.869 -1.144 . . . . 0.0 111.443 172.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.5 -38.29 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 121.032 -1.042 . . . . 0.0 109.41 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -68.5 -49.81 56.85 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.349 2.26 . . . . 0.0 111.419 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.61 -51.48 55.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.709 -2.041 . . . . 0.0 113.304 171.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -74.55 -26.59 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.028 -1.67 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.41 -52.22 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 118.651 -2.53 . . . . 0.0 114.391 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.252 16.0 p -55.71 -47.25 77.17 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 175.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.34 -43.46 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 126.196 1.798 . . . . 0.0 115.152 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.79 -38.38 64.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 118.391 -2.693 . . . . 0.0 112.751 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.5 p -63.46 -24.48 67.85 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 171.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.22 -50.69 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.379 0 CA-C-O 124.05 1.881 . . . . 0.0 113.505 164.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.43 -44.34 95.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 113.185 -1.825 . . . . 0.0 109.618 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.69 -38.1 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 118.219 -2.8 . . . . 0.0 113.299 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -36.98 5.76 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.342 2.792 . . . . 0.0 116.784 167.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -94.18 4.95 53.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.652 2.381 . . . . 0.0 115.978 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t 57.42 41.31 26.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.049 2.139 . . . . 0.0 114.904 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -104.82 51.67 0.76 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.412 1.885 . . . . 0.0 112.304 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -15.98 55.3 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.042 -1.661 . . . . 0.0 111.42 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.42 -20.08 6.82 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 158.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -83.55 -46.0 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.961 2.164 . . . . 0.0 106.493 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.97 -34.34 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 126.03 1.732 . . . . 0.0 111.968 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.6 pt-20 -58.95 -23.8 61.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.66 119.22 37.34 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.296 1.038 . . . . 0.0 112.658 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -44.83 -57.33 3.81 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.464 2.706 . . . . 0.0 114.713 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.61 67.24 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.824 -1.173 . . . . 0.0 114.112 -172.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -58.96 -32.94 70.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.86 -50.09 58.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.815 1.246 . . . . 0.0 113.35 170.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.51 -35.79 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 127.118 2.167 . . . . 0.0 114.029 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.39 65.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.765 1.745 . . . . 0.0 108.631 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -55.43 -42.71 74.57 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 113.064 -1.88 . . . . 0.0 115.356 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.86 -37.4 71.25 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.884 -1.135 . . . . 0.0 113.583 171.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -74.39 -32.66 62.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.629 -1.919 . . . . 0.0 114.217 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -63.95 -48.91 74.66 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.122 -1.611 . . . . 0.0 112.5 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 pt -87.5 -19.96 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.758 -1.214 . . . . 0.0 113.842 -176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.66 47.49 7.24 Favored Glycine 0 N--CA 1.431 -1.698 0 CA-C-O 117.653 -1.637 . . . . 0.0 116.876 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.25 128.21 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.619 3.71 . . . . 0.0 108.279 164.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -110.59 146.31 36.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.04 0.936 . . . . 0.0 111.924 -167.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.472 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 30.4 t60 -87.89 -81.04 0.25 Allowed 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.57 -1.331 . . . . 0.0 109.301 169.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -89.17 37.68 0.86 Allowed 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.475 -1.39 . . . . 0.0 114.448 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.59 -1.83 60.43 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 121.349 -0.844 . . . . 0.0 113.001 -166.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.253 48.4 mtt85 -119.96 164.97 15.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.395 -2.827 . . . . 0.0 111.624 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -78.29 147.65 34.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.321 -1.487 . . . . 0.0 110.289 -167.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.6 124.68 39.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.978 1.847 . . . . 0.0 113.076 -152.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -99.28 169.29 9.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.971 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -71.56 -43.82 65.65 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.089 -1.632 . . . . 0.0 114.694 -174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -65.45 -40.2 92.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 123.989 1.852 . . . . 0.0 115.82 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -77.59 -29.68 52.12 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.29 -50.82 72.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.291 1.043 . . . . 0.0 111.591 161.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -65.16 -28.84 69.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.159 -2.838 . . . . 0.0 116.15 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 28.7 pttt -69.96 -36.13 75.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 170.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 pt -64.44 -42.48 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.471 -1.393 . . . . 0.0 113.765 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -86.6 -40.27 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -79.71 -60.52 2.32 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.372 -1.455 . . . . 0.0 114.922 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -86.82 13.11 9.46 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 -164.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -45.98 158.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.2 p -83.87 170.91 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.67 -1.894 . . . . 0.0 107.937 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.36 -46.3 84.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.445 -1.409 . . . . 0.0 111.411 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -60.33 -35.55 75.91 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.68 -40.43 94.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.296 -1.503 . . . . 0.0 114.602 170.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -73.98 -43.87 56.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.372 1.469 . . . . 0.0 110.876 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -70.69 -9.69 57.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.686 1.594 . . . . 0.0 112.75 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 m -79.42 -61.66 1.93 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 174.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.21 -35.27 48.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.505 3.15 . . . . 0.0 119.505 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.83 -38.88 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 168.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.78 -38.71 80.2 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.053 -2.279 . . . . 0.0 116.253 170.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -87.58 -38.14 16.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.093 -1.63 . . . . 0.0 112.738 -172.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -113.0 65.34 0.64 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.226 1.41 . . . . 0.0 107.762 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.34 -71.21 0.07 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -75.35 -40.6 58.04 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 123.946 0.899 . . . . 0.0 112.655 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.44 94.27 Favored Glycine 0 N--CA 1.43 -1.719 0 O-C-N 120.2 -1.563 . . . . 0.0 116.918 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.408 0.1 OUTLIER -77.92 -30.71 50.67 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.591 -176.69 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.66 -58.5 3.39 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 122.801 2.546 . . . . 0.0 114.715 169.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.73 -57.56 7.09 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 122.653 1.141 . . . . 0.0 115.285 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -71.15 -22.64 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.741 -2.623 . . . . 0.0 114.455 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -69.47 -41.3 76.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.474 -2.016 . . . . 0.0 112.699 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.259 19.4 mmt180 -49.5 -41.97 42.27 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.495 1.952 . . . . 0.0 113.917 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -69.68 -55.51 9.77 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 128.171 2.588 . . . . 0.0 105.809 -172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.32 -36.9 79.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.867 -1.771 . . . . 0.0 115.017 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -59.27 4.47 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.106 -1.622 . . . . 0.0 109.919 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.254 7.5 ptp -57.31 -32.85 67.08 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.5 m-85 -78.35 -12.46 60.0 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.658 -1.277 . . . . 0.0 112.832 -174.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.7 t -131.84 51.66 2.13 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 122.407 1.099 . . . . 0.0 110.844 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -96.05 114.87 26.62 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.782 -1.199 . . . . 0.0 108.253 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt . . . . . 0 N--CA 1.43 -1.44 0 O-C-N 121.175 -0.953 . . . . 0.0 110.884 177.011 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 120.995 0.426 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.423 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -117.29 152.1 35.57 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.529 -1.357 . . . . 0.0 107.857 167.588 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -73.9 -51.57 15.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.936 -2.353 . . . . 0.0 108.972 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 tt -44.28 -55.25 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.152 3.019 . . . . 0.0 119.152 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -67.52 -31.43 71.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.504 1.121 . . . . 0.0 112.426 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 83.2 m -63.73 -47.83 79.5 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.026 -1.671 . . . . 0.0 114.285 167.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.82 -39.08 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 126.7 2.0 . . . . 0.0 110.596 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -57.28 -57.24 13.5 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 130.821 3.648 . . . . 0.0 112.688 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -69.55 -26.14 64.36 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.752 -2.468 . . . . 0.0 115.102 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -74.32 -26.03 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.944 -1.722 . . . . 0.0 111.342 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.04 -49.85 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.455 -2.028 . . . . 0.0 111.509 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . 0.31 2.1 p -69.7 -36.0 75.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 123.754 0.822 . . . . 0.0 112.829 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.15 -42.92 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.016 1.326 . . . . 0.0 114.531 165.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.5 63.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.004 -1.06 . . . . 0.0 108.896 -171.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -76.02 -14.17 60.22 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.23 -51.95 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 121.053 1.751 . . . . 0.0 112.238 160.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -28.88 69.1 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.994 -1.691 . . . . 0.0 112.892 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -76.96 -36.18 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.351 -2.093 . . . . 0.0 108.603 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -57.89 -42.48 84.73 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.617 1.567 . . . . 0.0 113.121 170.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.31 3.84 48.2 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 119.924 -1.735 . . . . 0.0 115.182 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t 69.42 37.58 1.98 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.869 -1.769 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -114.96 43.65 1.94 Allowed 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.398 2.279 . . . . 0.0 112.668 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.407 0.0 OUTLIER -57.38 -21.49 36.35 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 170.335 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -40.92 -38.4 0.95 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.62 3.193 . . . . 0.0 119.62 159.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -73.55 -40.23 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.614 -1.929 . . . . 0.0 110.393 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.74 -36.71 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 126.655 1.982 . . . . 0.0 112.329 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.89 -21.45 66.47 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.269 2.628 . . . . 0.0 116.027 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -112.32 126.11 54.9 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.001 -1.687 . . . . 0.0 111.687 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -51.48 -57.59 8.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.791 2.036 . . . . 0.0 113.987 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.48 -35.02 58.65 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 119.239 -2.163 . . . . 0.0 114.716 -170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -55.56 -41.92 73.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 168.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.62 -46.31 83.13 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.538 1.535 . . . . 0.0 112.383 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -57.38 -41.53 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.108 1.763 . . . . 0.0 113.984 170.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.57 91.67 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.408 -2.057 . . . . 0.0 114.536 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.304 20.5 t80 -57.31 -42.75 82.42 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.459 2.303 . . . . 0.0 112.487 165.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.91 -35.1 78.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.587 -1.946 . . . . 0.0 112.006 174.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -73.59 -29.54 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.679 -1.888 . . . . 0.0 114.26 170.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.37 -61.79 2.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 167.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -82.01 -14.63 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.296 -1.503 . . . . 0.0 112.319 -168.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.99 45.03 6.46 Favored Glycine 0 N--CA 1.431 -1.661 0 O-C-N 120.885 -1.134 . . . . 0.0 115.807 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -78.41 108.35 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 161.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -110.43 119.05 37.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.698 -1.252 . . . . 0.0 109.89 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.497 ' CD2' ' HG3' ' B' ' 45' ' ' GLU . 35.7 t60 -66.96 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.497 ' HG3' ' CD2' ' B' ' 44' ' ' HIS . 92.3 mt-10 -91.48 51.01 1.81 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.017 -2.927 . . . . 0.0 109.396 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 11.16 74.37 Favored Glycine 0 N--CA 1.43 -1.742 0 CA-C-O 116.297 -2.39 . . . . 0.0 114.274 -174.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -133.49 161.96 33.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.238 2.519 . . . . 0.0 106.59 -174.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.57 157.84 22.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.26 -1.525 . . . . 0.0 111.32 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.01 132.98 33.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.578 1.656 . . . . 0.0 111.563 -166.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -93.29 163.75 13.49 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.342 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -62.86 -47.58 82.73 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.618 1.567 . . . . 0.0 113.171 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -72.06 -42.14 66.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.646 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -74.45 -30.61 61.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 125.621 3.828 . . . . 0.0 112.68 -176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -46.65 -52.82 12.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 159.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -65.25 -29.9 70.73 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.63 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 33.2 pttt -67.75 -24.36 65.34 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 165.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.311 41.1 pt -68.53 -53.39 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 CA-C-N 123.679 2.945 . . . . 0.0 115.124 166.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.0 m -70.07 -35.87 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -75.07 -57.4 3.92 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 116.882 -3.637 . . . . 0.0 114.983 -171.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -78.67 13.41 1.66 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.665 -3.147 . . . . 0.0 118.184 -169.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.97 146.77 45.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.422 -2.049 . . . . 0.0 111.614 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -88.84 172.88 8.87 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 118.882 -2.386 . . . . 0.0 107.996 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -54.03 -46.33 71.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.325 -2.109 . . . . 0.0 114.145 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -67.76 -32.59 73.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -69.76 -35.03 74.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.175 -1.578 . . . . 0.0 112.278 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.81 -46.31 58.62 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.044 1.338 . . . . 0.0 109.485 175.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -56.18 -28.56 58.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 49.9 m -67.98 -34.85 77.33 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.706 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.39 -41.57 69.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.004 -1.685 . . . . 0.0 113.648 167.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.1 -46.01 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 118.753 -2.467 . . . . 0.0 115.945 171.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.58 -48.6 66.11 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -92.88 -18.7 22.49 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.934 1.243 . . . . 0.0 113.425 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.2 74.77 1.6 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.611 -1.306 . . . . 0.0 107.683 -170.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -69.82 0.25 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.576 1.15 . . . . 0.0 112.557 -172.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.42 -42.85 98.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.77 -1.832 . . . . 0.0 114.703 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.62 -56.9 12.63 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 117.005 -1.997 . . . . 0.0 113.333 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.289 0.8 OUTLIER -77.77 -37.32 49.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.115 2.458 . . . . 0.0 112.322 -171.476 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . 0.28 61.3 mt-10 -39.85 -59.95 1.09 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 163.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.84 -63.07 4.46 Favored Glycine 0 N--CA 1.43 -1.712 0 O-C-N 118.2 -2.813 . . . . 0.0 116.007 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.17 -24.77 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.02 -1.871 . . . . 0.0 114.292 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -81.01 -14.41 57.94 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.24 -2.163 . . . . 0.0 113.299 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -61.45 -55.54 30.17 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.007 -2.308 . . . . 0.0 111.439 158.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.56 -50.37 60.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.661 2.784 . . . . 0.0 116.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.42 -47.11 83.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.771 -3.081 . . . . 0.0 111.294 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -67.63 -37.84 83.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.001 -1.687 . . . . 0.0 113.49 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -78.15 -16.95 57.46 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.521 -1.987 . . . . 0.0 113.133 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -93.39 1.22 56.97 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.486 -2.009 . . . . 0.0 112.576 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.3 0.1 OUTLIER -138.86 75.0 1.5 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 168.507 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -113.13 83.34 1.81 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.918 1.818 . . . . 0.0 109.983 163.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tptt . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -177.469 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.431 -1.402 0 CA-C-O 121.844 0.83 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 20.4 pttm -105.97 166.03 10.78 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.594 1.188 . . . . 0.0 111.255 -177.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -46.79 -65.18 0.6 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -47.07 -47.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.28 -18.95 65.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.321 1.849 . . . . 0.0 115.197 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.5 m -93.96 -34.78 12.93 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 110.029 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.12 -42.76 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 118.456 -2.653 . . . . 0.0 110.694 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -44.45 -61.68 1.45 Allowed 'General case' 0 N--CA 1.43 -1.457 1 C-N-CA 132.648 4.379 . . . . 0.0 112.803 173.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.1 -24.0 67.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 173.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -35.65 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 119.335 -2.103 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.71 -39.92 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 128.59 2.756 . . . . 0.0 114.492 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.52 -41.52 38.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.34 -43.62 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.645 1.978 . . . . 0.0 115.632 164.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.75 87.22 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.579 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.0 p -69.19 -16.08 63.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.44 -49.27 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 120.996 1.725 . . . . 0.0 110.793 170.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 -36.94 81.79 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.624 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -75.65 -26.85 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.594 -1.942 . . . . 0.0 112.073 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.94 98.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.322 1.449 . . . . 0.0 113.088 169.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -90.25 2.2 55.69 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 67.47 47.09 1.28 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.982 1.713 . . . . 0.0 113.948 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -123.22 34.7 5.05 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.158 2.183 . . . . 0.0 111.84 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.328 0.0 OUTLIER -57.68 -24.9 59.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 176.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -47.8 -32.32 5.9 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.32 -43.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 119.975 -1.703 . . . . 0.0 111.78 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -67.04 -36.63 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.332 2.253 . . . . 0.0 112.925 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 tm-20 -60.98 -20.98 63.07 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 129.088 2.955 . . . . 0.0 116.746 -168.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -130.73 128.12 40.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.202 1.001 . . . . 0.0 112.348 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -53.63 -45.51 70.19 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.38 63.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.448 -2.658 . . . . 0.0 116.991 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -78.54 -39.62 37.35 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.645 -1.285 . . . . 0.0 108.449 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.2 -54.7 43.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 126.361 1.865 . . . . 0.0 112.866 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.97 -41.8 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.393 2.277 . . . . 0.0 114.457 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.22 69.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -35.88 33.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 126.531 1.932 . . . . 0.0 109.596 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.99 -48.13 79.16 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.111 -1.618 . . . . 0.0 112.307 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -65.05 -16.42 63.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.405 -2.06 . . . . 0.0 116.52 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.47 -60.77 2.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.749 1.613 . . . . 0.0 113.351 167.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.51 -4.73 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -166.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.68 39.8 6.52 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 121.262 -0.899 . . . . 0.0 113.371 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -82.84 119.8 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 CA-C-N 119.996 1.898 . . . . 0.0 108.102 167.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -113.79 149.57 34.73 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.37 -1.456 . . . . 0.0 110.211 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.445 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 12.2 t60 -78.94 -87.07 0.06 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.51 -1.994 . . . . 0.0 113.978 166.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -91.6 50.96 1.79 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.035 -1.666 . . . . 0.0 110.369 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.98 19.04 28.8 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 -169.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -133.59 161.79 33.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -76.62 141.85 40.89 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.667 1.223 . . . . 0.0 111.461 -167.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -97.93 126.81 43.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.978 1.311 . . . . 0.0 108.94 -156.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -97.06 153.7 17.78 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.018 1.327 . . . . 0.0 111.036 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.27 -37.88 87.18 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -68.96 -54.15 16.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.008 1.323 . . . . 0.0 113.404 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -78.95 -10.56 59.86 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.178 -2.826 . . . . 0.0 115.083 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.31 -55.14 38.63 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.265 1.507 . . . . 0.0 111.125 159.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -61.33 -31.95 71.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.234 -0.916 . . . . 0.0 112.994 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.312 8.4 pttp -63.0 -49.83 73.12 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 119.651 1.114 . . . . 0.0 113.546 168.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.332 24.4 pt -53.79 -51.07 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 121.75 2.068 . . . . 0.0 114.716 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.05 -31.48 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 t -82.73 -43.53 16.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -86.82 3.94 43.17 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -159.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.7 mt -51.68 145.68 8.91 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 125.774 1.63 . . . . 0.0 113.024 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -87.41 177.07 7.22 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.71 -46.01 76.9 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.304 -2.122 . . . . 0.0 110.363 173.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.08 -39.51 63.38 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 170.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -68.37 -33.97 75.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.859 -1.776 . . . . 0.0 114.588 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.16 -31.61 30.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.528 -1.982 . . . . 0.0 110.549 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.99 85.53 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.575 -1.328 . . . . 0.0 110.034 171.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.8 m -59.0 -38.62 79.61 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.492 1.917 . . . . 0.0 113.995 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.02 -43.63 57.27 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 119.922 -1.736 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.4 -42.52 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.337 1.455 . . . . 0.0 113.533 172.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.71 -48.17 82.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.936 1.695 . . . . 0.0 114.634 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -86.97 -28.01 22.94 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.902 -1.749 . . . . 0.0 115.357 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -121.84 66.92 0.91 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -58.04 -68.09 0.28 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.392 1.477 . . . . 0.0 112.832 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.0 -36.18 79.56 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.086 2.154 . . . . 0.0 112.701 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -59.31 9.32 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 124.617 1.103 . . . . 0.0 115.382 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -84.24 -24.86 29.82 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 119.375 1.588 . . . . 0.0 110.358 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.69 -54.62 44.04 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.803 -2.435 . . . . 0.0 111.909 168.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.32 -70.12 1.09 Allowed Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.442 -1.411 . . . . 0.0 116.305 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.99 -26.13 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.303 -2.292 . . . . 0.0 115.75 -169.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -80.87 -15.72 55.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 119.239 0.927 . . . . 0.0 113.087 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -63.27 -46.89 84.71 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 115.291 -2.564 . . . . 0.0 111.727 161.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -61.49 -57.25 12.92 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.951 1.701 . . . . 0.0 109.031 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -30.85 64.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.443 -2.036 . . . . 0.0 116.219 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.38 -45.88 36.39 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.795 -1.816 . . . . 0.0 110.885 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -81.56 -18.46 44.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.027 -2.295 . . . . 0.0 113.114 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 14.4 m-30 -87.58 -3.32 58.99 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.055 1.342 . . . . 0.0 110.996 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.378 7.0 t -151.05 85.49 1.35 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.796 1.284 . . . . 0.0 112.186 169.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.4 81.66 1.83 Allowed 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 157.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -176.372 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -119.89 177.89 4.8 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.649 -1.907 . . . . 0.0 109.882 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.22 -37.48 80.88 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.4 -1.438 . . . . 0.0 114.217 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 5' ' ' ILE . 6.7 tt -89.04 -34.63 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.552 2.341 . . . . 0.0 110.065 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.62 -34.44 65.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.621 1.568 . . . . 0.0 112.422 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.2 m -69.01 -47.66 64.92 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.568 -2.582 . . . . 0.0 112.439 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.56 -35.63 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.731 -1.856 . . . . 0.0 114.879 166.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -69.69 -51.5 33.96 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.555 2.342 . . . . 0.0 111.448 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.16 -49.98 50.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.245 1.418 . . . . 0.0 114.47 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.5 -25.55 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 119.396 -2.065 . . . . 0.0 114.097 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.42 -55.13 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.975 -2.328 . . . . 0.0 112.052 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.0 -37.04 85.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.414 1.486 . . . . 0.0 113.833 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.46 -42.99 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 125.32 1.448 . . . . 0.0 112.823 171.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.65 70.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.088 -2.257 . . . . 0.0 113.063 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 99.2 p -67.87 -22.93 65.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.101 -2.249 . . . . 0.0 114.835 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -51.82 -54.06 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.061 1.345 . . . . 0.0 112.327 159.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.7 -42.99 84.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.48 -34.54 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.758 -1.839 . . . . 0.0 113.456 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -48.71 65.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.67 -1.894 . . . . 0.0 114.113 167.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -81.78 1.75 33.19 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.488 -1.383 . . . . 0.0 114.452 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t 57.7 41.79 24.76 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 126.742 2.017 . . . . 0.0 114.845 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.72 48.02 0.85 Allowed 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.158 2.583 . . . . 0.0 109.85 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.251 0.1 OUTLIER -71.57 -16.67 62.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.789 -1.819 . . . . 0.0 114.765 -178.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -54.56 -29.61 51.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.1 mt -71.79 -40.77 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.712 -1.867 . . . . 0.0 110.481 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.99 -42.61 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.279 1.832 . . . . 0.0 111.267 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.402 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 13.5 tm-20 -50.77 -19.77 1.06 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -130.44 122.82 28.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.339 -1.476 . . . . 0.0 109.079 173.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -56.36 -41.85 76.83 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.578 1.151 . . . . 0.0 113.388 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.86 -30.64 69.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.397 -2.064 . . . . 0.0 116.109 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -77.07 -33.43 57.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.08 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.13 -48.96 77.81 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.401 1.88 . . . . 0.0 112.799 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.42 -36.22 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.199 2.2 . . . . 0.0 112.83 171.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.45 69.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.99 1.316 . . . . 0.0 108.002 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 5.0 t80 -54.21 -42.98 70.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.038 2.135 . . . . 0.0 115.762 167.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.71 -38.21 80.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.894 -2.379 . . . . 0.0 113.929 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.24 -26.95 65.04 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.428 -2.045 . . . . 0.0 113.412 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.98 -57.75 5.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.026 1.33 . . . . 0.0 112.969 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.89 -19.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.802 -1.186 . . . . 0.0 112.838 -170.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.31 7.72 Favored Glycine 0 N--CA 1.429 -1.798 0 N-CA-C 115.87 1.108 . . . . 0.0 115.87 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.324 21.9 t -70.22 116.79 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 120.575 -1.544 . . . . 0.0 110.531 160.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -121.21 154.16 36.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.392 1.077 . . . . 0.0 110.541 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.29 9.3 t60 -86.86 -95.32 0.09 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.108 -0.995 . . . . 0.0 113.259 172.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.3 53.19 2.25 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.785 -1.822 . . . . 0.0 111.954 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 7.78 66.2 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 118.42 -2.675 . . . . 0.0 115.049 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -122.44 155.44 36.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.735 1.614 . . . . 0.0 111.281 -170.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -65.7 132.67 49.35 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.706 1.603 . . . . 0.0 111.377 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.91 130.23 34.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 123.092 1.425 . . . . 0.0 112.016 -162.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -96.12 158.3 15.5 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.116 1.366 . . . . 0.0 112.227 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -65.98 -40.12 90.96 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.665 -1.272 . . . . 0.0 113.794 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -76.38 -46.49 27.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.271 1.428 . . . . 0.0 113.166 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.7 m -79.39 -9.55 59.62 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.502 -1.374 . . . . 0.0 113.752 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -64.34 -51.66 62.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.574 -1.329 . . . . 0.0 109.771 159.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -66.41 -25.22 66.66 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.982 -1.699 . . . . 0.0 112.346 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.4 ' HZ1' ' CD ' ' B' ' 60' ' ' GLU 0.32 3.1 pttp -64.13 -52.07 60.9 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 167.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.296 23.6 pt -46.33 -44.11 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 121.73 2.059 . . . . 0.0 115.264 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.91 -40.94 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -74.95 -46.47 35.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.4 ' CD ' ' HZ1' ' B' ' 56' ' ' LYS . 12.6 pt-20 -75.64 9.1 2.44 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.347 1.859 . . . . 0.0 115.737 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 140.96 58.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.324 -1.485 . . . . 0.0 111.936 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 81.8 p -86.72 171.25 11.07 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.806 -1.184 . . . . 0.0 109.89 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.73 -38.62 91.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.415 -1.428 . . . . 0.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.43 -35.58 77.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 171.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -66.93 -37.93 85.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.968 -1.708 . . . . 0.0 111.862 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -77.56 -36.73 51.85 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.315 -1.491 . . . . 0.0 110.762 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -43.15 67.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.935 1.294 . . . . 0.0 111.799 162.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -64.34 -44.59 91.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -47.27 87.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.78 -1.2 . . . . 0.0 112.974 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.6 mt -55.8 -39.35 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.752 1.221 . . . . 0.0 112.941 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.0 -35.59 80.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.027 -1.671 . . . . 0.0 114.815 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -86.55 -40.99 14.69 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.105 -1.622 . . . . 0.0 111.758 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.22 70.26 0.88 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.898 1.679 . . . . 0.0 109.061 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -56.34 -69.69 0.14 Allowed 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.791 1.636 . . . . 0.0 112.287 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -58.08 -51.51 69.41 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.074 1.749 . . . . 0.0 112.862 177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.99 -53.03 24.87 Favored Glycine 0 N--CA 1.431 -1.691 0 O-C-N 120.87 -1.144 . . . . 0.0 115.645 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.28 5.5 t80 -73.02 -33.2 65.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 119.934 1.867 . . . . 0.0 110.456 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.66 -53.87 45.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 121.198 1.817 . . . . 0.0 114.061 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.81 10.49 Favored Glycine 0 N--CA 1.431 -1.658 0 O-C-N 119.596 -1.94 . . . . 0.0 116.067 171.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.08 -17.79 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 118.372 -2.84 . . . . 0.0 114.036 -170.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -87.28 -10.85 51.31 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.222 -1.549 . . . . 0.0 111.985 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -62.82 -46.15 89.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.892 -2.38 . . . . 0.0 110.043 157.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -69.17 -54.37 15.21 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.913 1.685 . . . . 0.0 110.484 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.0 mt -59.91 -42.63 94.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.153 -1.592 . . . . 0.0 111.398 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.24 -40.67 90.38 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.119 -1.613 . . . . 0.0 115.056 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.2 ptp -75.51 -14.78 60.43 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.38 -1.45 . . . . 0.0 114.436 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 21.8 m-85 -94.11 -4.46 49.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.089 1.356 . . . . 0.0 110.985 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.78 87.49 2.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 166.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.57 113.47 19.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 168.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 175.595 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 t30 . . . . . 0 N--CA 1.43 -1.442 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -120.44 168.73 11.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.423 1.889 . . . . 0.0 106.647 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -73.06 -47.4 45.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 123.399 1.571 . . . . 0.0 111.949 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -58.89 -39.57 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 C-N-CA 127.166 2.186 . . . . 0.0 113.419 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -46.33 84.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.838 1.655 . . . . 0.0 111.734 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -67.83 -42.27 81.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.3 83.1 t -46.7 -47.41 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 162.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -67.43 -40.17 85.45 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -74.77 -26.26 59.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 118.091 -2.881 . . . . 0.0 114.882 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.65 -33.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.965 -1.709 . . . . 0.0 111.54 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.7 mt -57.36 -44.72 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 121.018 1.735 . . . . 0.0 113.957 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.281 7.0 p -65.6 -44.32 86.97 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.304 -0.873 . . . . 0.0 111.421 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 t -55.85 -42.1 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 125.984 1.713 . . . . 0.0 114.654 170.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.4 -29.57 37.74 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 117.477 -1.689 . . . . 0.0 107.148 -168.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.5 p -72.09 -13.91 61.71 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.594 -1.942 . . . . 0.0 114.486 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mm -60.58 -51.55 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 CA-C-N 121.065 1.757 . . . . 0.0 111.87 160.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.89 -33.02 74.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.557 -1.339 . . . . 0.0 112.628 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.282 37.1 mt -72.0 -31.93 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.614 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -57.83 -43.48 85.84 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.613 -1.304 . . . . 0.0 113.592 168.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.92 2.09 56.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.505 1.522 . . . . 0.0 114.094 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.373 1.7 t 54.18 51.33 14.66 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 118.939 2.94 . . . . 0.0 118.939 -171.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -115.41 51.33 0.93 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 168.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -18.27 64.78 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.744 2.018 . . . . 0.0 115.131 174.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -48.15 -32.0 6.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 162.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.22 -48.31 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.53 -2.606 . . . . 0.0 111.006 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.56 -43.93 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 C-N-CA 125.874 1.67 . . . . 0.0 111.28 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.16 -24.75 2.98 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -111.92 126.39 55.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.86 -1.775 . . . . 0.0 110.496 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -41.98 -53.27 3.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.169 2.588 . . . . 0.0 114.297 172.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.47 32.5 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.026 -2.296 . . . . 0.0 114.418 -172.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -68.85 -35.09 76.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 119.5 1.046 . . . . 0.0 112.34 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -58.61 -55.81 30.25 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.96 -29.51 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 O-C-N 119.104 -2.247 . . . . 0.0 116.179 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.56 61.68 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.273 -2.142 . . . . 0.0 112.979 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.303 2.0 t80 -71.38 -38.74 71.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.308 1.443 . . . . 0.0 111.548 170.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.3 -44.41 84.07 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.891 1.276 . . . . 0.0 112.516 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.33 -23.37 66.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.14 1.376 . . . . 0.0 113.907 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.0 -64.33 1.21 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 119.71 1.141 . . . . 0.0 112.767 172.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.281 0.1 OUTLIER -72.58 -17.02 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-N 121.43 1.923 . . . . 0.0 113.675 -173.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 38.1 5.54 Favored Glycine 0 N--CA 1.43 -1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 114.87 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.5 t -74.93 114.58 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.6 p -96.57 156.2 16.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.341 1.057 . . . . 0.0 109.85 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.286 25.6 t60 -77.82 -99.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 157.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -88.25 49.34 1.78 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.321 -2.112 . . . . 0.0 111.361 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.54 6.95 72.48 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -117.59 162.73 17.54 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.528 -0.983 . . . . 0.0 109.167 -170.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.91 140.13 53.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.955 -1.091 . . . . 0.0 111.441 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.28 127.24 40.03 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 -164.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -97.43 -173.07 2.55 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.071 -1.018 . . . . 0.0 111.674 -171.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -90.29 -43.72 10.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.307 -2.121 . . . . 0.0 111.193 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -60.67 -50.18 74.52 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-O 122.653 1.216 . . . . 0.0 114.136 175.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -83.38 -7.58 59.54 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.105 1.362 . . . . 0.0 113.893 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -71.84 -46.26 58.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.638 -1.914 . . . . 0.0 107.704 166.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -70.88 -16.84 62.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.577 -1.952 . . . . 0.0 110.982 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 12.3 ptpt -66.1 -48.12 71.95 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 162.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 36.5 pt -57.32 -44.73 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 124.639 1.175 . . . . 0.0 113.942 -174.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.78 -48.17 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 C-N-CA 124.445 1.098 . . . . 0.0 113.757 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -76.47 -54.07 7.23 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.895 -1.753 . . . . 0.0 113.576 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.322 5.9 pt-20 -82.75 12.93 4.2 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -165.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.1 mt -53.04 155.8 2.36 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.62 -1.3 . . . . 0.0 113.995 170.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.9 p -85.46 170.09 13.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.778 . . . . 0.0 110.945 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.66 -27.8 64.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.387 -2.071 . . . . 0.0 114.603 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.87 -34.42 76.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.076 -2.265 . . . . 0.0 114.561 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -65.09 -42.06 94.4 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.435 1.494 . . . . 0.0 112.345 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.05 -34.88 57.13 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.486 -1.384 . . . . 0.0 110.593 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -62.55 -31.82 72.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.305 -2.122 . . . . 0.0 112.401 166.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 m -67.63 -35.75 79.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 119.874 1.215 . . . . 0.0 114.133 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.63 -45.53 89.82 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.13 -1.606 . . . . 0.0 112.99 165.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.24 -38.33 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.153 1.381 . . . . 0.0 112.72 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.24 -44.48 71.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.114 -1.616 . . . . 0.0 114.382 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.84 -19.69 24.34 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 113.167 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.99 83.69 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.941 -1.724 . . . . 0.0 112.719 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.93 -59.2 2.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.758 -1.839 . . . . 0.0 114.514 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.53 -37.8 71.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.47 -1.394 . . . . 0.0 110.971 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.44 -55.36 15.57 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 125.286 1.422 . . . . 0.0 115.109 -174.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.332 0.0 OUTLIER -74.19 -44.37 53.6 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.381 -1.658 . . . . 0.0 109.181 -177.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.69 -42.06 92.12 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 120.782 1.628 . . . . 0.0 113.98 -170.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.02 -63.52 5.12 Favored Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 167.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -65.55 -23.14 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 118.817 -2.578 . . . . 0.0 115.676 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -76.28 -27.11 56.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.675 -2.516 . . . . 0.0 113.087 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.91 -43.29 96.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.022 1.283 . . . . 0.0 109.622 168.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.86 -59.69 4.99 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.624 1.969 . . . . 0.0 109.298 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.77 -40.68 76.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.167 -1.583 . . . . 0.0 113.836 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.15 -46.05 89.05 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.089 -2.257 . . . . 0.0 116.445 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -71.66 -20.23 61.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.63 -1.919 . . . . 0.0 113.511 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.51 -15.65 56.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.3 2.9 t -145.48 72.86 1.33 Allowed 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 111.651 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.26 130.22 55.18 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.335 1.454 . . . . 0.0 108.104 157.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt . . . . . 0 N--CA 1.43 -1.448 0 O-C-N 120.5 -1.375 . . . . 0.0 108.64 171.191 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 61.4 t30 . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -123.07 159.69 27.94 Favored 'General case' 0 N--CA 1.431 -1.419 1 N-CA-C 97.503 -4.999 . . . . 0.0 97.503 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.87 -43.73 98.26 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -170.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 tt -52.91 -53.06 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -27.5 67.73 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.139 1.775 . . . . 0.0 113.608 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 120.028 1.285 . . . . 0.0 112.654 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.88 -50.31 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 122.722 2.51 . . . . 0.0 109.927 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' B' ' 73' ' ' PHE . 18.7 ttt-85 -39.02 -58.22 1.15 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.487 3.115 . . . . 0.0 116.771 171.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.28 -20.91 59.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.125 -2.234 . . . . 0.0 116.883 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 mt -80.4 -23.73 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.558 -1.964 . . . . 0.0 111.346 174.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.75 -48.26 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 119.366 -2.084 . . . . 0.0 113.261 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.9 p -58.54 -50.55 73.38 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.37 -37.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 119.442 3.127 . . . . 0.0 119.442 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.33 -36.33 81.23 Favored 'General case' 0 N--CA 1.431 -1.399 1 O-C-N 112.287 -6.508 . . . . 0.0 112.362 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -66.1 -23.48 66.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.65 -49.93 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.42 -2.05 . . . . 0.0 109.684 170.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.25 -38.98 88.63 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.932 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -66.4 -40.04 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 119.43 -2.044 . . . . 0.0 115.393 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -38.95 18.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 166.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -93.29 2.87 56.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.322 -2.111 . . . . 0.0 114.318 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t 71.75 44.35 0.5 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.21 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.14 50.86 1.5 Allowed 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.037 0.935 . . . . 0.0 109.86 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.341 0.1 OUTLIER -66.28 -10.93 47.21 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.31 -41.83 60.77 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.69 2.396 . . . . 0.0 117.206 165.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.64 -40.27 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.07 -2.268 . . . . 0.0 110.774 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.3 -40.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.651 1.98 . . . . 0.0 113.464 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.9 pt-20 -67.95 -13.59 62.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -164.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -124.58 127.93 48.13 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.623 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -47.84 -40.08 20.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 171.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.7 74.09 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.327 -2.108 . . . . 0.0 115.31 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -65.16 -32.27 73.88 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 122.265 1.031 . . . . 0.0 113.458 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.45 -53.5 34.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 113.902 173.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -52.25 -38.87 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 128.332 2.653 . . . . 0.0 115.315 166.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.55 93.63 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.131 -0.981 . . . . 0.0 110.617 173.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -41.14 96.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.149 1.38 . . . . 0.0 114.025 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.87 -42.78 68.97 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 112.922 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -72.56 -19.48 61.49 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.297 -1.502 . . . . 0.0 114.528 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -54.41 8.32 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.262 -2.149 . . . . 0.0 111.376 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 pt -80.07 -24.68 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-O 121.83 0.824 . . . . 0.0 112.02 -169.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.05 36.29 5.79 Favored Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.13 117.13 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-O 123.634 1.683 . . . . 0.0 110.067 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.0 p -99.56 152.67 19.77 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.844 2.058 . . . . 0.0 106.925 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.16 -99.88 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.833 -1.167 . . . . 0.0 112.769 159.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -85.0 46.1 1.24 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.971 -2.331 . . . . 0.0 111.935 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.74 -0.94 80.49 Favored Glycine 0 N--CA 1.43 -1.762 0 O-C-N 119.422 -2.048 . . . . 0.0 114.225 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -106.15 157.23 17.71 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.006 1.722 . . . . 0.0 110.08 -167.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.24 134.67 45.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.544 -0.722 . . . . 0.0 109.935 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 129.57 42.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -167.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -100.67 170.74 8.15 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.852 1.261 . . . . 0.0 109.205 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -73.33 -36.85 66.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.11 -0.994 . . . . 0.0 113.549 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -74.87 -42.48 57.81 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 123.587 1.66 . . . . 0.0 112.641 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -60.48 -36.17 77.66 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.542 -1.974 . . . . 0.0 114.885 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -56.28 -48.93 75.62 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-O 123.973 1.844 . . . . 0.0 113.356 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -75.44 -10.9 59.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.57 1.652 . . . . 0.0 112.906 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -82.74 -46.26 13.38 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 113.717 -3.193 . . . . 0.0 115.133 170.013 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.326 28.0 pt -53.12 -47.31 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.773 -2.454 . . . . 0.0 116.445 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 m -74.83 -34.32 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.75 -54.91 6.21 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -78.15 8.67 4.55 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -163.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.02 149.44 19.04 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.844 -1.785 . . . . 0.0 115.707 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -80.9 173.92 12.13 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.604 1.192 . . . . 0.0 111.277 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -67.79 -44.36 77.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.089 -1.632 . . . . 0.0 110.873 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.39 -39.49 76.19 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.236 1.814 . . . . 0.0 112.259 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -61.81 -39.95 93.53 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 122.502 1.144 . . . . 0.0 113.582 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -77.74 -37.74 48.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.132 -0.98 . . . . 0.0 111.325 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -64.51 -34.15 77.55 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.204 -1.56 . . . . 0.0 109.094 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.9 m -63.42 -45.49 90.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 122.153 2.252 . . . . 0.0 110.66 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.89 -37.66 87.79 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 123.767 0.827 . . . . 0.0 113.204 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.65 -43.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 118.894 0.77 . . . . 0.0 112.184 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.1 -47.9 72.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -69.28 -42.58 75.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 122.923 1.344 . . . . 0.0 113.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 9' ' ' ARG . 71.5 m-85 -115.74 60.58 0.71 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.08 -2.263 . . . . 0.0 110.687 -169.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -48.25 -71.77 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -63.28 -41.63 99.02 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 123.177 1.465 . . . . 0.0 113.487 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -55.19 20.42 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.266 1.412 . . . . 0.0 115.095 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.3 -19.36 50.65 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 119.79 1.795 . . . . 0.0 111.094 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.32 -58.02 10.35 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.704 1.593 . . . . 0.0 112.181 164.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.46 -67.21 2.33 Favored Glycine 0 N--CA 1.431 -1.695 0 CA-C-O 122.883 1.268 . . . . 0.0 115.005 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.22 -19.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 118.426 -2.808 . . . . 0.0 115.272 -165.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.44 -16.38 54.52 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.747 1.158 . . . . 0.0 111.698 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -60.38 -50.64 72.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 122.942 2.61 . . . . 0.0 113.434 157.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.04 -60.41 3.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.516 1.527 . . . . 0.0 109.48 -174.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.98 -49.53 20.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.303 1.441 . . . . 0.0 114.669 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.87 -50.45 70.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 124.151 0.907 . . . . 0.0 111.422 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 15.0 ptp -67.91 -24.81 65.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.757 -1.214 . . . . 0.0 114.21 -172.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.8 m-30 -78.93 -9.64 59.57 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.964 0.905 . . . . 0.0 113.226 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.433 0.2 OUTLIER -119.09 18.33 13.13 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.901 1.334 . . . . 0.0 111.594 177.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -73.34 118.06 15.84 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.1 -2.25 . . . . 0.0 110.217 162.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.516 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 -168.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.533 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -117.48 170.59 8.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.826 -1.171 . . . . 0.0 109.165 -172.82 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.98 -47.71 61.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.792 -1.193 . . . . 0.0 112.89 -166.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 6' ' ' ASP . 19.1 tt -65.27 -47.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 125.914 1.686 . . . . 0.0 112.502 -174.315 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' H ' HG22 ' A' ' 5' ' ' ILE . 72.3 m-20 -47.29 -45.89 24.46 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 170.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.9 m -79.63 -28.76 40.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.179 0.99 . . . . 0.0 111.748 177.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -64.92 -46.82 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.626 -1.921 . . . . 0.0 108.698 174.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -50.36 -45.74 55.34 Favored 'General case' 0 N--CA 1.43 -1.473 1 O-C-N 115.483 -4.511 . . . . 0.0 121.401 169.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -78.81 -20.61 49.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.657 -1.277 . . . . 0.0 110.811 -175.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.284 29.1 mt -79.24 -30.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.598 172.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.69 -45.87 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.42 2.288 . . . . 0.0 114.345 174.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 p -71.04 -35.76 72.1 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.0 111.263 -177.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.08 -38.62 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.185 1.394 . . . . 0.0 112.799 170.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.12 75.39 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.595 -1.941 . . . . 0.0 112.824 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -65.55 -21.25 66.59 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.214 -1.554 . . . . 0.0 114.932 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.53 -50.08 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.71 1.604 . . . . 0.0 112.987 167.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -41.63 74.97 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.476 -1.39 . . . . 0.0 114.416 173.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 24' ' ' GLU . 32.5 mt -69.61 -31.74 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.024 0.93 . . . . 0.0 111.258 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.256 0.8 OUTLIER -55.46 -42.18 73.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.974 -2.329 . . . . 0.0 113.225 168.535 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -90.97 1.19 57.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.52 -2.612 . . . . 0.0 115.083 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.258 7.7 t 59.16 49.11 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -113.73 45.68 1.41 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.365 2.266 . . . . 0.0 110.321 170.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.416 ' HB3' HG12 ' A' ' 19' ' ' ILE 0.278 1.0 OUTLIER -74.27 -14.1 60.86 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 124.374 2.035 . . . . 0.0 114.422 -173.674 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -54.16 -35.04 61.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 166.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.31 -40.4 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 124.386 2.041 . . . . 0.0 111.508 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.24 -33.04 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.114 2.566 . . . . 0.0 111.049 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 10.6 tm-20 -69.47 -14.18 62.74 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -124.05 121.0 34.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.001 -1.687 . . . . 0.0 110.886 176.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -30.4 -63.58 0.14 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.001 3.32 . . . . 0.0 116.894 169.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.51 -24.65 56.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.063 -1.648 . . . . 0.0 114.489 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -81.72 -27.69 33.77 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.649 -1.907 . . . . 0.0 108.25 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -64.52 -50.17 68.39 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.194 0.998 . . . . 0.0 112.842 171.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 mt -53.86 -39.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.922 2.489 . . . . 0.0 114.424 171.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.84 84.54 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.402 -1.436 . . . . 0.0 110.707 175.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.331 3.2 t80 -53.09 -47.14 68.77 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.312 1.845 . . . . 0.0 113.278 169.215 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.63 -41.17 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.606 1.562 . . . . 0.0 115.105 173.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -75.18 -22.38 58.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.335 -1.478 . . . . 0.0 114.252 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.49 -57.71 5.4 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 119.567 1.076 . . . . 0.0 108.507 173.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 pt -71.65 -17.97 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 123.846 0.859 . . . . 0.0 112.636 -173.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.5 46.41 5.22 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 125.5 1.524 . . . . 0.0 116.71 172.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.66 101.17 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.272 1.536 . . . . 0.0 109.619 173.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -97.63 120.61 38.32 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.028 0.918 . . . . 0.0 109.413 -177.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 17.1 t60 -65.3 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.32 -1.487 . . . . 0.0 114.716 176.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -87.56 42.61 1.05 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.018 -2.301 . . . . 0.0 110.605 -179.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.06 19.14 79.5 Favored Glycine 0 N--CA 1.43 -1.754 0 O-C-N 119.063 -2.273 . . . . 0.0 114.788 -166.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -118.77 148.31 42.95 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.523 -1.575 . . . . 0.0 107.349 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.54 128.8 36.68 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.438 -0.789 . . . . 0.0 111.197 170.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.87 128.5 34.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.802 1.287 . . . . 0.0 111.856 -150.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.95 153.23 18.99 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.406 -1.434 . . . . 0.0 110.886 -170.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.674 -1.891 . . . . 0.0 114.93 -176.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -71.39 -34.64 70.58 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.982 1.713 . . . . 0.0 113.52 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.1 m -84.22 -23.73 30.35 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.664 -1.272 . . . . 0.0 112.35 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.49 -52.49 61.08 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.957 1.703 . . . . 0.0 110.029 167.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -61.09 -30.37 70.31 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.918 -1.114 . . . . 0.0 112.589 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.339 12.3 ptpt -71.17 -41.37 70.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 169.219 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.342 13.8 pt -57.12 -45.04 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.889 -1.757 . . . . 0.0 114.498 173.356 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.08 -43.37 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -74.82 -50.1 18.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.041 -1.662 . . . . 0.0 115.102 -173.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.264 10.3 pt-20 -87.59 12.74 11.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 -168.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 mt -44.12 145.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.727 2.811 . . . . 0.0 115.087 178.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.8 p -84.57 164.52 18.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 109.433 -175.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.01 -39.53 74.9 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.205 -1.559 . . . . 0.0 111.95 173.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -68.38 -29.49 68.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.573 2.349 . . . . 0.0 114.138 176.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.87 -38.68 76.48 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.445 -2.035 . . . . 0.0 111.502 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.72 -54.15 7.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.699 2.0 . . . . 0.0 109.66 -177.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -44.59 -32.79 1.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.926 1.29 . . . . 0.0 114.327 164.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 m -77.41 -37.92 50.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.092 -2.255 . . . . 0.0 110.421 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.0 -30.31 50.04 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.681 -1.262 . . . . 0.0 110.041 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.81 -41.3 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.25 -0.907 . . . . 0.0 113.431 171.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -69.61 -39.22 77.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 175.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.2 -32.37 18.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.846 -1.784 . . . . 0.0 113.181 -172.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -122.2 63.09 0.94 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.663 1.585 . . . . 0.0 109.3 -172.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -57.01 -71.12 0.1 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -166.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.09 -42.3 89.52 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.117 1.767 . . . . 0.0 111.753 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -63.08 5.48 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 126.029 1.776 . . . . 0.0 115.137 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.292 3.0 t80 -72.68 -41.07 65.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 117.648 -1.168 . . . . 0.0 110.08 -171.759 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -46.72 -47.28 20.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.082 2.219 . . . . 0.0 115.999 171.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.55 -63.79 3.54 Favored Glycine 0 N--CA 1.429 -1.826 0 C-N-CA 124.045 0.831 . . . . 0.0 114.881 172.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.77 -22.61 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 118.709 -2.642 . . . . 0.0 113.688 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.43 -35.84 65.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.979 -1.701 . . . . 0.0 112.969 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -49.42 -44.21 45.16 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.723 2.056 . . . . 0.0 114.256 164.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -68.1 -52.01 39.9 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.205 1.002 . . . . 0.0 108.754 -176.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.74 -30.1 70.72 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.171 -2.83 . . . . 0.0 116.297 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.78 -64.37 0.87 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.617 -1.302 . . . . 0.0 108.614 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 ptp -57.29 -23.98 51.95 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.01 3.337 . . . . 0.0 120.01 -177.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.3 m-30 -89.07 3.53 51.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.203 1.365 . . . . 0.0 111.325 -174.294 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 t -142.42 33.21 1.48 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.444 -0.785 . . . . 0.0 110.699 169.335 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -76.79 127.29 32.47 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.418 -2.051 . . . . 0.0 110.663 161.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm . . . . . 0 N--CA 1.429 -1.487 0 O-C-N 121.529 -0.732 . . . . 0.0 111.232 177.945 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -117.02 -156.18 0.61 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.79 -51.98 7.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.436 -2.04 . . . . 0.0 112.548 178.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.4 tt -41.13 -49.86 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.767 2.827 . . . . 0.0 115.358 170.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -56.65 -34.93 67.8 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.459 2.304 . . . . 0.0 113.567 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.53 -31.26 32.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 111.086 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.46 -42.73 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.489 -2.007 . . . . 0.0 111.698 170.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -52.85 -55.61 21.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 131.391 3.876 . . . . 0.0 114.099 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -67.47 -27.55 67.11 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.09 -27.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 120.365 -1.459 . . . . 0.0 113.112 173.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.07 -53.08 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 118.938 -2.351 . . . . 0.0 113.285 170.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -68.74 -39.74 80.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.037 0.935 . . . . 0.0 110.387 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.9 -36.4 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 167.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.32 -26.85 30.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.534 -1.979 . . . . 0.0 111.482 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.354 80.9 p -69.74 -22.73 63.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 168.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.58 -53.59 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-N 120.866 1.667 . . . . 0.0 112.175 162.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' B' ' 36' ' ' PHE . 7.3 mt -64.66 -31.69 73.02 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.833 -175.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.76 -27.41 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.581 1.552 . . . . 0.0 110.451 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -51.01 71.64 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.02 1.328 . . . . 0.0 112.126 163.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.441 -1.412 . . . . 0.0 112.906 177.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.335 1.9 t 91.7 35.64 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.211 2.205 . . . . 0.0 111.286 169.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -118.99 57.02 0.89 Allowed 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 127.856 2.463 . . . . 0.0 110.681 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.56 -16.56 56.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 176.001 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -19.49 -53.32 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 129.39 3.076 . . . . 0.0 119.277 156.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -77.62 -36.26 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 124.671 1.189 . . . . 0.0 112.631 -177.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 t -67.92 -41.31 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 126.426 1.89 . . . . 0.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -54.98 -28.99 55.97 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 129.787 3.235 . . . . 0.0 116.052 -178.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -122.27 118.75 29.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.37 -1.457 . . . . 0.0 111.156 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -46.14 68.93 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.81 -27.86 66.23 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.401 -2.062 . . . . 0.0 115.433 -178.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.33 -31.04 30.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -62.15 -50.09 73.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.277 1.431 . . . . 0.0 112.722 170.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.7 mt -55.44 -39.04 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 128.036 2.534 . . . . 0.0 114.356 172.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.76 73.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.764 -1.21 . . . . 0.0 108.882 176.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' B' ' 18' ' ' LEU . 6.3 t80 -57.35 -40.62 78.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.967 2.507 . . . . 0.0 110.76 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.67 -44.12 76.96 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 121.406 1.912 . . . . 0.0 114.119 172.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -68.66 -34.06 75.06 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.066 -1.646 . . . . 0.0 114.256 172.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.96 -49.46 70.24 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.463 -1.398 . . . . 0.0 114.74 173.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 pt -79.43 -25.44 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.032 -1.668 . . . . 0.0 110.685 -174.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.55 49.36 3.68 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -176.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.87 127.26 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 118.519 1.159 . . . . 0.0 109.848 157.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -118.31 149.48 41.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.48 1.912 . . . . 0.0 107.884 176.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.268 36.4 t60 -77.93 -103.07 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 111.528 174.163 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -87.66 51.51 2.24 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.248 -1.532 . . . . 0.0 109.94 -174.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.04 5.33 58.19 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.448 -1.407 . . . . 0.0 115.192 -169.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -123.95 171.41 9.74 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 119.673 1.737 . . . . 0.0 109.452 -173.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -72.98 136.82 45.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.39 124.28 34.82 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.491 -1.38 . . . . 0.0 111.755 -168.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.78 164.84 11.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.749 1.62 . . . . 0.0 111.726 -167.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.59 -43.29 69.68 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.03 -1.669 . . . . 0.0 112.374 -177.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -73.94 -38.49 64.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.94 -1.1 . . . . 0.0 113.256 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -76.3 -23.09 54.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.499 -1.375 . . . . 0.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -48.2 77.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.975 1.369 . . . . 0.0 110.803 168.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -66.4 -30.06 70.35 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.77 -1.206 . . . . 0.0 114.16 -177.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.335 0.1 OUTLIER -63.24 -52.15 63.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 164.741 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 28.8 pt -53.19 -47.75 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 120.756 1.616 . . . . 0.0 115.088 179.392 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.19 -28.91 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.678 -1.889 . . . . 0.0 115.809 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -90.39 -51.29 5.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.139 -1.6 . . . . 0.0 115.227 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.366 8.0 pt-20 -84.2 10.93 9.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -164.552 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.17 154.92 2.85 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.822 -1.173 . . . . 0.0 113.435 166.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -94.07 173.71 7.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.092 -1.63 . . . . 0.0 109.159 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.15 -44.72 94.77 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.289 -1.507 . . . . 0.0 111.966 172.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -56.23 -45.35 80.01 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 173.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.8 -35.19 79.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.607 1.563 . . . . 0.0 112.693 177.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -75.05 -46.51 34.38 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.467 -1.396 . . . . 0.0 108.736 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -34.69 58.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 167.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 73.0 m -61.77 -40.13 94.1 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -77.38 -39.53 46.96 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.531 -1.356 . . . . 0.0 112.595 175.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 73.8 mt -52.36 -42.07 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.042 1.337 . . . . 0.0 113.157 171.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -66.39 -42.21 88.24 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -87.64 -36.08 17.67 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.029 -1.669 . . . . 0.0 112.072 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.47 60.98 0.75 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.99 1.716 . . . . 0.0 110.072 -171.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -52.45 -64.98 0.64 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.024 1.393 . . . . 0.0 114.177 -173.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -39.05 89.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.143 -1.598 . . . . 0.0 114.358 -179.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.59 15.16 Favored Glycine 0 N--CA 1.43 -1.748 0 O-C-N 121.155 -0.966 . . . . 0.0 114.172 -175.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.47 -24.31 61.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.515 1.158 . . . . 0.0 108.979 -174.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.82 -58.1 9.61 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 118.941 -2.35 . . . . 0.0 112.982 169.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.36 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.672 0 O-C-N 120.64 -1.288 . . . . 0.0 113.517 174.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -66.22 -26.26 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.581 -2.129 . . . . 0.0 115.659 -172.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.54 -11.83 59.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.099 2.682 . . . . 0.0 112.968 177.225 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -64.28 -49.86 70.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.474 -2.641 . . . . 0.0 113.071 158.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.77 -61.57 2.21 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.624 2.37 . . . . 0.0 107.945 -171.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 88.2 mt -47.44 -38.57 13.77 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -74.93 -36.48 62.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.178 -1.577 . . . . 0.0 111.344 -175.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 16.0 ptp -78.18 -28.96 48.3 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.356 -175.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.47 -2.74 57.73 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.803 -1.186 . . . . 0.0 111.371 -175.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.344 0.0 OUTLIER -134.94 47.75 2.33 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 170.009 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -83.49 125.86 32.18 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 148.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? . . . . . 0 N--CA 1.43 -1.455 0 O-C-N 120.55 -1.343 . . . . 0.0 111.002 -166.421 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 122.439 1.114 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 79.0 mttt -111.02 -128.81 0.29 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.414 -1.429 . . . . 0.0 112.291 -163.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -41.11 69.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 125.991 1.717 . . . . 0.0 113.725 -179.357 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 tt -58.49 -52.58 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 127.415 2.286 . . . . 0.0 112.453 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.82 -34.88 13.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.782 2.433 . . . . 0.0 114.146 176.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 m -84.27 -47.17 11.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.662 -2.524 . . . . 0.0 110.668 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -37.78 -52.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.61 -1.932 . . . . 0.0 115.773 161.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -51.45 -42.55 61.64 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 129.085 2.954 . . . . 0.0 116.603 176.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.72 -45.37 37.06 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.631 -1.918 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.479 ' H ' HG13 ' A' ' 11' ' ' ILE . 3.7 mt -59.95 -24.8 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 169.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.34 -48.0 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 117.305 -3.372 . . . . 0.0 112.628 172.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -63.92 -54.89 27.64 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.228 -1.545 . . . . 0.0 112.427 175.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.6 -35.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 118.749 2.87 . . . . 0.0 118.749 163.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.57 44.33 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 121.573 -0.704 . . . . 0.0 110.958 178.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.261 85.4 p -71.37 -6.29 38.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.2 -2.188 . . . . 0.0 115.276 172.311 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.83 -55.98 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 118.93 -2.356 . . . . 0.0 107.641 167.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.58 -26.52 61.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 176.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -84.23 -25.92 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.472 -0.767 . . . . 0.0 111.838 174.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -43.27 76.36 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 118.938 -2.351 . . . . 0.0 113.596 163.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -83.66 -27.26 29.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 86.34 50.97 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.336 2.254 . . . . 0.0 110.115 -169.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -129.77 40.95 3.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.091 1.756 . . . . 0.0 107.15 177.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -76.51 -5.17 46.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.706 2.003 . . . . 0.0 113.307 177.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.49 -57.81 9.36 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 131.14 3.776 . . . . 0.0 111.591 164.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 mt -47.09 -51.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 128.097 2.559 . . . . 0.0 114.913 166.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 t -57.45 -50.89 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 126.252 1.821 . . . . 0.0 111.948 -179.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.331 0.0 OUTLIER -38.06 -25.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 122.466 4.247 . . . . 0.0 122.466 175.454 . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -119.42 133.63 55.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.15 -1.593 . . . . 0.0 111.278 172.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 ttp85 -51.54 -50.83 59.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.504 2.721 . . . . 0.0 112.239 173.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.71 73.48 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -175.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -62.23 -38.71 90.23 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.106 1.362 . . . . 0.0 111.672 171.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -59.83 -55.16 37.71 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.552 1.941 . . . . 0.0 111.035 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -53.31 -45.06 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.42 2.688 . . . . 0.0 115.258 172.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -43.41 98.9 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.864 -1.773 . . . . 0.0 114.086 173.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -58.7 -31.49 68.3 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.482 1.913 . . . . 0.0 112.884 169.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.59 -50.93 63.29 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.821 -1.174 . . . . 0.0 111.743 171.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.14 -42.25 76.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 173.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.57 -62.76 1.45 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.051 1.741 . . . . 0.0 113.737 167.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.292 16.3 pt -68.6 -32.68 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-O 122.754 1.264 . . . . 0.0 113.38 -172.308 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 20.56 12.7 Favored Glycine 0 N--CA 1.429 -1.782 0 C-N-CA 127.596 2.522 . . . . 0.0 114.512 170.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.76 97.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 123.904 1.812 . . . . 0.0 113.766 169.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -56.93 164.88 1.41 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 161.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.467 ' C ' ' H ' ' A' ' 46' ' ' GLY 0.379 27.7 t60 -93.71 -120.34 0.09 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 111.772 -2.467 . . . . 0.0 112.333 144.859 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 130.699 3.599 . . . . 0.0 120.612 169.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 44' ' ' HIS . . . 64.8 12.89 55.29 Favored Glycine 0 N--CA 1.43 -1.76 1 C-N-CA 131.377 4.322 . . . . 0.0 113.556 -166.498 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -97.14 143.57 27.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.767 -2.216 . . . . 0.0 115.103 170.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -66.25 125.5 25.78 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.754 0.822 . . . . 0.0 112.284 -172.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 119.3 19.93 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -160.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -86.78 158.79 19.31 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.834 2.054 . . . . 0.0 112.388 -172.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.45 -48.4 70.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.993 -1.692 . . . . 0.0 114.68 -178.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.62 -60.3 4.02 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.05 -1.656 . . . . 0.0 115.423 168.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -64.38 -16.15 61.77 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -55.26 -60.64 3.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 117.642 -3.161 . . . . 0.0 114.125 154.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -57.38 -21.9 39.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -69.07 -56.05 8.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 114.29 162.651 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.337 35.5 pt -47.48 -46.84 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 178.668 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.03 -42.34 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 m -74.92 -68.96 0.5 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -177.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.305 5.9 pt-20 -49.61 11.06 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 121.037 3.718 . . . . 0.0 121.037 -178.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.32 131.37 50.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.423 1.489 . . . . 0.0 111.788 172.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 p -74.92 160.06 31.07 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 122.32 1.057 . . . . 0.0 111.317 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -45.82 -44.09 13.9 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.654 1.582 . . . . 0.0 113.615 167.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.78 -45.86 90.69 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.973 1.709 . . . . 0.0 115.194 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -58.49 -41.08 84.54 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 123.515 0.726 . . . . 0.0 111.618 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -78.74 -39.82 35.13 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.263 1.825 . . . . 0.0 110.96 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -43.28 63.67 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.618 1.167 . . . . 0.0 110.581 165.229 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -65.95 -33.07 74.99 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.21 -31.33 65.77 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.78 -53.41 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 126.297 1.839 . . . . 0.0 111.635 178.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -59.56 -44.07 93.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.383 -2.073 . . . . 0.0 112.909 176.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.73 -45.42 61.82 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.294 -1.321 . . . . 0.0 112.131 -176.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.52 43.26 2.67 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.003 -2.311 . . . . 0.0 116.901 -177.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -27.28 -61.81 0.09 Allowed 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 123.544 4.646 . . . . 0.0 123.544 -176.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.73 -32.05 41.13 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 118.632 -2.542 . . . . 0.0 110.213 -170.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.04 -44.29 7.16 Favored Glycine 0 N--CA 1.43 -1.74 0 N-CA-C 106.031 -2.828 . . . . 0.0 106.031 -162.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.27 39.0 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 -172.171 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -54.93 -46.75 74.98 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 169.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.4 -59.24 4.25 Favored Glycine 0 N--CA 1.43 -1.747 1 C-N-CA 113.877 -4.011 . . . . 0.0 115.08 178.273 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.313 3.5 m -57.35 -21.05 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 174.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -72.12 -28.05 63.02 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 122.437 2.381 . . . . 0.0 113.847 170.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -64.46 -39.76 94.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 115.905 -2.318 . . . . 0.0 110.992 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.92 -19.64 61.23 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -93.88 -6.32 45.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.456 -2.653 . . . . 0.0 109.256 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.16 -75.08 0.37 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.735 166.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.327 14.7 ptp -48.02 -41.39 25.49 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -165.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 6.6 m-85 -74.79 -5.44 43.46 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 173.138 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.306 8.9 t -147.79 57.72 1.1 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.173 1.806 . . . . 0.0 111.364 175.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -109.42 122.5 47.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.93 1.692 . . . . 0.0 106.52 165.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt . . . . . 0 N--CA 1.43 -1.442 0 C-N-CA 124.247 1.019 . . . . 0.0 109.193 -179.917 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 p30 . . . . . 0 N--CA 1.43 -1.463 0 CA-C-O 120.904 0.383 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.467 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 88.6 mttt -111.24 -125.89 0.27 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.427 -2.046 . . . . 0.0 109.565 -169.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -68.51 -48.26 64.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.708 -1.87 . . . . 0.0 113.717 -175.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 tt -59.26 -49.47 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.386 1.874 . . . . 0.0 114.846 -177.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.15 -45.96 92.5 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.2 m -59.79 -42.14 92.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.671 -1.893 . . . . 0.0 114.826 168.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 t -57.02 -40.26 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.996 -1.69 . . . . 0.0 111.375 173.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -62.77 -47.28 84.17 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 129.876 3.27 . . . . 0.0 115.42 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.18 -33.62 73.67 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 123.152 1.453 . . . . 0.0 111.541 177.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.255 61.0 mt -69.71 -41.42 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 113.578 175.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.7 mt -48.37 -53.12 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 127.134 2.173 . . . . 0.0 114.582 168.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -65.64 -33.95 77.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.575 1.55 . . . . 0.0 112.963 -177.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.91 -51.3 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.4 1.88 . . . . 0.0 113.948 164.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.12 95.81 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 117.556 -3.215 . . . . 0.0 115.898 176.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.347 20.6 p -55.22 -22.44 17.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 168.169 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 8.8 mm -60.04 -53.54 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 CA-C-N 120.254 1.388 . . . . 0.0 112.239 163.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.28 -49.96 75.31 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.321 -1.487 . . . . 0.0 113.179 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.4 HG13 ' H ' ' B' ' 19' ' ' ILE . 14.0 mt -53.7 -38.14 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.958 -1.714 . . . . 0.0 115.231 168.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.311 0.0 OUTLIER -54.27 -45.81 72.52 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.598 1.559 . . . . 0.0 112.864 170.729 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -85.12 7.74 20.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.688 1.995 . . . . 0.0 115.67 174.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 62.93 37.22 12.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.925 -1.734 . . . . 0.0 114.545 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -112.63 56.69 0.67 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.208 1.403 . . . . 0.0 109.385 174.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.371 0.0 OUTLIER -73.0 -20.5 61.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.704 -1.247 . . . . 0.0 113.8 171.027 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -49.19 -38.07 24.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.627 2.371 . . . . 0.0 113.145 165.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mt -76.84 -30.32 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 111.889 -3.924 . . . . 0.0 112.364 177.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.36 -28.23 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.287 -167.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.2 pt-20 -69.65 1.94 3.71 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -171.317 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -134.55 135.63 42.44 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.173 -1.58 . . . . 0.0 106.954 177.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -71.38 -48.15 51.82 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.481 -2.012 . . . . 0.0 113.267 -177.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.45 33.0 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.447 -3.283 . . . . 0.0 119.69 175.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.82 -25.05 18.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 121.991 0.901 . . . . 0.0 110.938 169.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -70.28 -55.15 9.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.557 1.143 . . . . 0.0 108.799 173.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.4 mt -50.26 -50.32 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.477 2.711 . . . . 0.0 114.628 169.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.04 19.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 171.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -85.35 -24.82 27.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.984 0.914 . . . . 0.0 113.12 172.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.9 -38.17 67.0 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.956 -2.34 . . . . 0.0 110.015 176.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.27 -58.45 8.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.9 1.28 . . . . 0.0 112.041 168.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -36.35 -47.07 0.58 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.402 HD12 ' CG2' ' B' ' 42' ' ' VAL . 14.4 pt -96.77 -33.13 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.268 -1.52 . . . . 0.0 111.507 -175.424 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 57.35 1.22 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -172.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.402 ' CG2' HD12 ' B' ' 40' ' ' ILE . 2.5 t -97.55 118.36 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 160.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' B' ' 43' ' ' THR . 51.5 p -125.39 158.94 33.05 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.039 2.135 . . . . 0.0 114.596 -171.127 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.467 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 7.3 t60 -82.2 -92.19 0.06 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.471 -177.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' CD2' ' B' ' 44' ' ' HIS . 7.6 mp0 -92.14 46.13 1.25 Allowed 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 117.32 -1.752 . . . . 0.0 108.382 -166.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.96 6.42 87.31 Favored Glycine 0 N--CA 1.43 -1.739 0 C-N-CA 127.509 2.481 . . . . 0.0 114.304 -167.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -125.28 154.75 41.24 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.259 2.03 . . . . 0.0 108.832 -165.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.12 134.35 53.57 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.548 -1.345 . . . . 0.0 110.792 -168.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 144.08 26.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -153.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -100.27 161.99 13.25 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -173.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -72.66 -49.67 30.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.103 1.32 . . . . 0.0 112.799 173.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.7 -66.76 0.33 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.049 -1.657 . . . . 0.0 114.494 169.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -18.11 0.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.809 2.522 . . . . 0.0 117.809 168.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -82.85 -32.1 27.66 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.573 -3.204 . . . . 0.0 110.84 174.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -79.92 -18.02 51.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.427 1.639 . . . . 0.0 115.427 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -53.3 15.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.734 -1.229 . . . . 0.0 111.927 163.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.264 10.1 pt -54.66 -46.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.44 -31.77 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -172.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -77.5 -71.02 0.44 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 175.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -47.32 -6.39 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 -173.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 mt -40.12 136.08 1.25 Allowed 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.23 -2.169 . . . . 0.0 114.872 165.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . 0.262 23.4 p -82.4 177.86 8.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 122.915 1.34 . . . . 0.0 109.298 -178.282 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.6 -20.89 65.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.475 -2.016 . . . . 0.0 110.35 167.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.43 -49.33 9.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.039 -2.288 . . . . 0.0 108.373 -173.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -44.22 -43.86 7.48 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.533 2.79 . . . . 0.0 118.533 166.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -83.95 -30.42 26.29 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 118.361 -2.712 . . . . 0.0 106.627 -174.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -31.32 68.08 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.455 -2.028 . . . . 0.0 109.251 176.237 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -60.43 -37.98 82.62 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 163.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 mt -85.36 -4.52 59.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.479 -1.388 . . . . 0.0 111.382 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.44 -23.22 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 121.187 -0.946 . . . . 0.0 108.455 173.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.33 -57.11 3.51 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.971 -2.331 . . . . 0.0 106.848 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.63 -22.2 57.04 Favored 'General case' 0 N--CA 1.429 -1.475 1 N-CA-C 125.112 5.227 . . . . 0.0 125.112 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.15 54.55 1.43 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 121.253 1.842 . . . . 0.0 107.703 -170.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -44.87 -68.59 0.19 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.484 2.313 . . . . 0.0 116.49 -166.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.58 -53.5 11.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.515 1.526 . . . . 0.0 109.702 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.82 -68.22 0.8 Allowed Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 127.174 2.321 . . . . 0.0 115.344 178.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.346 1.1 t80 -64.39 -53.8 42.79 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.21 -178.044 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -38.33 -44.33 0.89 Allowed 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.48 3.53 Favored Glycine 0 N--CA 1.429 -1.773 0 CA-C-O 122.367 0.982 . . . . 0.0 113.214 174.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.66 -19.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.181 -2.364 . . . . 0.0 113.912 -174.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -83.19 -19.6 36.23 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.242 2.217 . . . . 0.0 115.617 174.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.94 -33.44 73.73 Favored 'General case' 0 N--CA 1.429 -1.481 1 C-N-CA 108.617 -5.233 . . . . 0.0 116.614 154.217 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.43 -56.44 7.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 125.757 1.911 . . . . 0.0 107.589 -171.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . 0.324 82.7 mt -67.58 -23.35 65.38 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 117.064 -3.522 . . . . 0.0 115.239 177.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.98 -49.86 14.5 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 116.98 -1.888 . . . . 0.0 110.407 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.28 4.8 ptp -54.68 -19.64 6.59 Favored 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 124.236 4.902 . . . . 0.0 124.236 165.492 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 16.1 m-85 -95.79 0.07 51.89 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 120.276 -1.515 . . . . 0.0 110.021 -176.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.335 5.0 t -152.52 39.56 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 123.269 1.509 . . . . 0.0 112.164 174.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -84.0 132.11 34.77 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 119.631 -1.918 . . . . 0.0 108.161 145.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -179.197 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 50.9 mttp -103.65 172.73 6.64 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.334 -170.133 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -64.75 -50.88 65.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.226 -2.171 . . . . 0.0 111.592 -177.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -48.75 -47.37 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 C-N-CA 126.307 1.843 . . . . 0.0 115.961 170.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.34 -54.56 44.08 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.716 1.606 . . . . 0.0 112.368 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 83.9 m -67.29 -29.92 69.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.665 -1.272 . . . . 0.0 114.16 175.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 t -61.81 -46.02 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.888 -2.382 . . . . 0.0 111.896 171.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -51.36 -54.59 24.93 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.373 2.669 . . . . 0.0 112.821 178.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -72.03 -19.16 61.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.736 -1.853 . . . . 0.0 115.148 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.6 mt -80.19 -37.23 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.693 -1.879 . . . . 0.0 110.13 173.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mt -52.14 -42.14 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 127.401 2.281 . . . . 0.0 114.96 171.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -68.08 -54.0 21.4 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.815 -1.178 . . . . 0.0 110.026 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 t -49.79 -45.98 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.665 1.986 . . . . 0.0 115.886 169.387 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.63 91.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.77 -1.831 . . . . 0.0 111.503 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -20.74 66.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 172.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -67.66 -46.74 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.187 1.795 . . . . 0.0 110.47 174.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.64 -34.99 75.1 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.075 0.95 . . . . 0.0 112.032 176.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.3 mt -73.02 -27.0 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.683 -1.261 . . . . 0.0 112.96 176.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.184 1.393 . . . . 0.0 111.695 169.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -95.99 8.57 43.34 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.95 -1.719 . . . . 0.0 114.825 177.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 74.6 9.34 4.26 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -93.38 43.81 1.12 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.541 1.936 . . . . 0.0 113.104 -176.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -63.55 -21.25 66.23 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 177.063 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.18 -40.7 7.45 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 168.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.73 -42.19 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 126.147 1.779 . . . . 0.0 110.48 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.25 -37.87 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.318 1.047 . . . . 0.0 111.633 175.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -70.33 -20.52 62.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.939 2.496 . . . . 0.0 114.492 -175.172 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -110.43 105.58 14.61 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.13 1.372 . . . . 0.0 107.651 -179.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -42.2 -56.07 3.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.688 3.195 . . . . 0.0 114.079 177.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.4 -51.43 44.07 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -178.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.03 -34.31 20.95 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.675 1.59 . . . . 0.0 113.384 170.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.68 -51.6 66.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 170.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 128.834 2.853 . . . . 0.0 114.008 175.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.0 86.53 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 125.786 1.634 . . . . 0.0 113.665 169.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.35 -39.55 78.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.364 1.466 . . . . 0.0 110.72 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.44 -49.03 73.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.085 1.354 . . . . 0.0 113.146 171.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -71.28 -31.68 67.78 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.711 -1.868 . . . . 0.0 114.512 176.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.72 -56.61 15.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 167.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER -84.21 -15.91 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 120.66 -1.275 . . . . 0.0 113.534 -175.117 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.11 42.73 4.89 Favored Glycine 0 N--CA 1.431 -1.67 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.9 t -83.87 108.42 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 164.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.0 p -119.13 126.95 52.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -169.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.435 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 6.3 t60 -67.59 -71.1 0.22 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.485 -2.01 . . . . 0.0 114.422 -171.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.96 41.74 1.3 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.337 -1.477 . . . . 0.0 109.682 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.96 23.35 63.54 Favored Glycine 0 N--CA 1.429 -1.79 0 N-CA-C 117.017 1.567 . . . . 0.0 117.017 -170.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -121.76 179.0 4.63 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 119.356 1.578 . . . . 0.0 107.152 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.52 138.35 48.83 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.375 -1.453 . . . . 0.0 111.889 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.67 121.15 40.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.832 1.301 . . . . 0.0 108.871 -167.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.67 168.5 10.63 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.514 1.125 . . . . 0.0 110.782 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -74.47 -40.06 62.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.496 -1.377 . . . . 0.0 111.901 179.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -67.93 -52.37 36.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.224 -0.922 . . . . 0.0 111.885 171.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 5.5 m -67.61 -15.09 63.47 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 177.358 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.92 -50.48 49.01 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.749 1.738 . . . . 0.0 110.06 170.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -64.54 -30.42 71.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.758 -1.839 . . . . 0.0 112.497 -176.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.272 0.0 OUTLIER -65.95 -28.92 69.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 167.116 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.355 22.3 pt -67.21 -53.55 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 119.78 -1.825 . . . . 0.0 112.225 172.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.58 -40.48 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -173.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -75.41 -44.59 43.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -93.21 11.54 27.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 -164.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.65 140.95 10.38 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.832 -1.168 . . . . 0.0 113.923 171.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.0 p -86.88 178.51 6.95 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.593 1.557 . . . . 0.0 109.285 -176.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.24 -46.89 81.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.524 -1.985 . . . . 0.0 111.144 169.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.26 -40.11 11.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.613 2.82 . . . . 0.0 118.613 170.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.34 -37.79 71.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.284 -1.51 . . . . 0.0 113.302 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.77 -28.15 30.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.88 -1.138 . . . . 0.0 111.616 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -44.75 95.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.007 2.123 . . . . 0.0 109.536 171.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.8 m -56.55 -39.49 73.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.796 1.238 . . . . 0.0 114.316 172.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.1 -37.87 64.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.018 -1.676 . . . . 0.0 113.784 174.409 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.44 -38.42 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.472 1.909 . . . . 0.0 113.518 174.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.2 -48.17 82.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.286 -1.509 . . . . 0.0 115.055 172.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -94.99 -20.12 19.63 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -166.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -134.05 64.42 1.6 Allowed 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.398 -2.064 . . . . 0.0 107.109 -170.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -55.27 -71.89 0.08 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.603 1.561 . . . . 0.0 114.868 -163.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.09 -42.63 75.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 112.993 176.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.86 91.46 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 124.773 1.177 . . . . 0.0 114.341 -168.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.36 0.1 OUTLIER -76.32 -43.52 40.89 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.818 177.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -49.0 -47.91 43.92 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.223 2.283 . . . . 0.0 115.854 -178.013 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.56 -59.66 6.99 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 114.386 0.515 . . . . 0.0 114.386 174.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 m -66.77 -26.91 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.888 -1.948 . . . . 0.0 113.438 -172.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -68.11 -42.53 80.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.453 -1.404 . . . . 0.0 113.695 177.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -46.86 -45.24 20.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.194 1.816 . . . . 0.0 115.423 166.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.18 -54.63 30.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.514 1.526 . . . . 0.0 107.945 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.83 -30.86 64.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 174.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -71.37 -65.6 0.73 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.267 1.394 . . . . 0.0 111.634 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.9 ptp -54.58 -28.3 45.1 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -175.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 15.7 m-85 -80.9 -4.72 55.85 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.333 1.053 . . . . 0.0 113.068 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.95 84.77 1.85 Allowed 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.605 1.193 . . . . 0.0 109.234 173.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -120.28 102.53 8.55 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 156.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.44 0 C-N-CA 123.035 0.534 . . . . 0.0 109.643 164.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 122.497 1.142 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.419 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 44.4 mttp -113.33 168.43 9.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.565 1.146 . . . . 0.0 108.061 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.48 -47.05 80.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.634 -1.291 . . . . 0.0 112.651 -171.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -61.29 -41.44 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 127.351 2.26 . . . . 0.0 112.09 -176.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.13 -31.07 69.5 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 123.968 0.907 . . . . 0.0 111.764 -177.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -38.89 92.0 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.379 -1.45 . . . . 0.0 112.827 169.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.2 -35.62 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 120.307 -1.496 . . . . 0.0 109.401 179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -45.75 62.75 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.995 2.918 . . . . 0.0 114.586 -171.738 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -64.09 -37.28 86.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.671 -1.268 . . . . 0.0 113.875 168.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mt -76.8 -24.54 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.269 -2.77 . . . . 0.0 114.119 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.89 -49.63 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.18 -2.2 . . . . 0.0 112.019 173.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.6 p -67.18 -33.26 75.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.182 1.793 . . . . 0.0 113.265 178.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.34 -47.54 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 124.822 1.249 . . . . 0.0 113.934 167.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.35 -33.05 49.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.838 -2.414 . . . . 0.0 113.931 -176.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.9 p -66.76 -22.54 66.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.92 -1.737 . . . . 0.0 114.428 168.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -50.54 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-N 120.058 1.299 . . . . 0.0 113.301 156.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.42 -42.25 91.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.313 -1.492 . . . . 0.0 112.871 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.03 -36.34 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.444 -1.41 . . . . 0.0 113.999 171.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -54.45 -44.52 72.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.949 -1.72 . . . . 0.0 112.825 169.606 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -85.77 11.56 10.84 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.625 1.57 . . . . 0.0 114.272 176.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 54.16 41.22 32.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.161 2.584 . . . . 0.0 115.778 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -111.21 52.78 0.73 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.418 1.487 . . . . 0.0 110.481 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER -75.42 -13.16 60.37 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.24 -25.38 67.03 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.592 -1.317 . . . . 0.0 113.604 166.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.9 -50.34 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.861 -1.775 . . . . 0.0 110.08 169.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.51 -37.6 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.434 1.493 . . . . 0.0 114.166 -174.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.415 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.9 tt0 -53.43 -23.73 10.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 173.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.24 109.61 19.39 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.985 -1.697 . . . . 0.0 110.568 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -36.81 -61.45 0.54 Allowed 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 129.473 3.109 . . . . 0.0 113.939 169.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.83 91.44 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.776 -1.827 . . . . 0.0 115.632 -177.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -61.17 -31.6 71.34 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 119.923 1.238 . . . . 0.0 113.156 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.52 -52.01 55.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.666 1.586 . . . . 0.0 112.675 174.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.8 -38.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.767 3.227 . . . . 0.0 114.18 170.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.75 72.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.458 1.123 . . . . 0.0 108.566 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.333 1.7 t80 -60.85 -33.03 72.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 171.079 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.75 -33.8 76.47 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.164 -2.835 . . . . 0.0 114.327 172.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -72.5 -27.37 62.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.516 -1.365 . . . . 0.0 113.08 171.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.2 -58.09 4.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.823 1.249 . . . . 0.0 113.299 176.205 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.27 -19.13 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.889 -1.757 . . . . 0.0 111.927 -171.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 32.47 7.06 Favored Glycine 0 N--CA 1.429 -1.795 0 O-C-N 120.56 -1.337 . . . . 0.0 115.36 172.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.88 101.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.163 1.459 . . . . 0.0 110.072 166.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -115.39 120.61 40.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.356 1.862 . . . . 0.0 108.353 -173.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.419 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 38.8 t60 -66.32 -78.47 0.05 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -172.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -95.15 39.1 1.12 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.471 -2.018 . . . . 0.0 110.284 175.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 17.05 78.48 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.399 -1.438 . . . . 0.0 114.659 -168.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -119.68 156.61 30.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.644 -1.504 . . . . 0.0 109.697 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -62.38 131.65 49.97 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.68 1.592 . . . . 0.0 113.129 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 120.61 24.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.578 1.656 . . . . 0.0 112.815 -175.232 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -94.5 163.65 13.31 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.067 1.747 . . . . 0.0 112.137 -176.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.59 -34.37 69.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -77.28 -33.88 55.71 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.398 -1.439 . . . . 0.0 111.601 175.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.0 m -74.21 -30.96 62.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.979 1.312 . . . . 0.0 112.922 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -58.35 -48.87 79.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 123.793 1.759 . . . . 0.0 112.417 168.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 -66.37 -33.64 76.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.656 -1.277 . . . . 0.0 112.904 -177.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -65.7 -49.33 68.93 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.243 -1.535 . . . . 0.0 113.974 168.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 33.6 pt -53.34 -45.18 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 120.326 1.421 . . . . 0.0 114.444 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.6 -42.85 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -87.59 -43.91 11.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -174.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.04 7.83 4.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.476 1.943 . . . . 0.0 115.25 -169.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.54 144.61 30.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.056 1.342 . . . . 0.0 113.01 176.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.1 p -86.18 170.1 12.46 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.3 -39.11 85.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.203 -1.561 . . . . 0.0 112.591 172.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.07 -39.18 88.89 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 173.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.35 -44.4 96.58 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.262 -1.524 . . . . 0.0 112.541 174.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -76.01 -39.93 54.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.774 1.229 . . . . 0.0 111.02 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.13 67.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 113.174 163.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 74.8 m -64.91 -40.17 94.67 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.465 -0.772 . . . . 0.0 111.737 -178.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.3 -48.72 72.15 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.977 -1.077 . . . . 0.0 113.42 172.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.22 -48.15 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.151 1.78 . . . . 0.0 114.129 171.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.87 -34.25 76.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -100.61 -41.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -175.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -102.3 56.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 119.466 -2.021 . . . . 0.0 112.058 -171.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -41.03 -72.65 0.06 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -173.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.84 -62.61 1.39 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 113.874 -170.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -48.98 -55.74 11.18 Favored Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 174.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.612 2.206 . . . . 0.0 110.67 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -55.2 -57.73 10.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.088 1.767 . . . . 0.0 111.53 169.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.66 -68.75 1.53 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 121.68 -0.637 . . . . 0.0 114.08 175.198 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 m -63.2 -25.08 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 O-C-N 120.082 -1.834 . . . . 0.0 115.883 -171.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.74 -20.92 59.63 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 173.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -60.5 -45.76 92.59 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.287 -2.133 . . . . 0.0 112.6 164.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.89 -61.8 1.76 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.101 2.16 . . . . 0.0 109.411 -173.409 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.8 mt -52.77 -33.35 48.11 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.224 2.21 . . . . 0.0 115.337 178.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.29 -44.6 44.82 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 121.69 -0.631 . . . . 0.0 111.507 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.4 ptp -69.69 -39.07 77.16 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -171.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 15.5 m-85 -74.65 -5.52 43.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.507 1.523 . . . . 0.0 113.604 -176.421 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -142.81 33.81 1.4 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.312 -1.492 . . . . 0.0 111.064 175.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -86.29 103.26 14.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.044 -1.66 . . . . 0.0 109.404 163.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm . . . . . 0 N--CA 1.43 -1.457 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 11.9 tt -61.56 -47.41 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 124.719 1.208 . . . . 0.0 114.029 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 13.6 m-20 -40.98 -39.86 1.27 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.5 2.72 . . . . 0.0 116.223 174.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.7 m -86.14 -45.57 11.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.065 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 t -56.16 -39.9 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.369 -2.082 . . . . 0.0 113.926 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -49.53 -60.23 3.04 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 129.469 3.107 . . . . 0.0 112.796 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 10' ' ' GLU . 10.4 pt-20 -72.5 -12.6 61.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 118.186 2.662 . . . . 0.0 118.186 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.2 mt -90.63 -15.28 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.664 -1.897 . . . . 0.0 110.234 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.21 -52.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.033 -2.917 . . . . 0.0 109.215 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -57.14 -56.96 14.96 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.04 1.336 . . . . 0.0 111.375 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 9.2 t -46.1 -53.09 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 128.609 2.764 . . . . 0.0 113.053 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.95 -13.47 59.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 112.7 -3.6 . . . . 0.0 112.964 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 p -78.07 -17.33 57.13 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 119.024 -0.512 . . . . 0.0 112.178 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' B' ' 17' ' ' ILE . 6.6 mm -60.7 -50.97 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 125.897 1.679 . . . . 0.0 110.536 165.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 mp -64.39 -28.52 69.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.47 1.108 . . . . 0.0 112.504 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.397 54.7 mt -74.6 -44.07 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 121.186 -0.946 . . . . 0.0 112.671 170.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -40.07 59.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 126.772 2.029 . . . . 0.0 114.812 168.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -88.5 -2.49 58.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.31 -1.494 . . . . 0.0 114.314 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.262 0.9 OUTLIER 64.83 50.55 1.97 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.069 2.548 . . . . 0.0 115.038 176.471 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -124.81 44.85 2.67 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 130.882 3.673 . . . . 0.0 110.294 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.381 0.0 OUTLIER -53.07 -28.11 23.35 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.164 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -43.84 -39.22 3.73 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 119.518 3.155 . . . . 0.0 119.518 168.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.61 -37.97 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.258 -2.151 . . . . 0.0 113.078 173.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 t -70.07 -27.2 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 125.991 1.717 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -73.13 -4.17 31.04 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.936 2.494 . . . . 0.0 115.169 -169.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.26 130.07 24.53 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 117.134 -3.478 . . . . 0.0 110.323 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -59.41 -43.24 93.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -70.3 -51.57 29.33 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 118.29 -2.756 . . . . 0.0 115.528 -175.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -44.2 -36.16 2.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.31 -42.81 53.7 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.304 1.842 . . . . 0.0 113.034 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.8 mt -55.51 -43.34 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 128.062 2.545 . . . . 0.0 112.807 170.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.84 67.75 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.355 -1.466 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 26.5 t80 -46.2 -44.6 16.25 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.209 2.204 . . . . 0.0 113.704 166.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.57 -52.46 64.73 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.034 -1.666 . . . . 0.0 114.517 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.63 -37.53 87.69 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.17 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.61 -49.48 77.58 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.776 2.03 . . . . 0.0 115.889 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.282 0.1 OUTLIER -87.16 -11.75 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 120.623 1.556 . . . . 0.0 111.757 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 33.0 6.58 Favored Glycine 0 N--CA 1.43 -1.706 0 N-CA-C 117.964 1.946 . . . . 0.0 117.964 171.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 HG21 ' B' ' 13' ' ' THR . 23.5 t -80.04 120.47 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 120.54 2.17 . . . . 0.0 111.422 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.3 p -100.74 158.49 15.92 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.403 1.081 . . . . 0.0 111.065 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HG3' ' A' ' 45' ' ' GLU . 5.9 t60 -82.81 -101.13 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.945 -1.722 . . . . 0.0 113.41 162.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 87.4 mt-10 -89.89 53.57 2.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.683 -1.886 . . . . 0.0 108.105 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.06 0.34 55.91 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 117.553 1.781 . . . . 0.0 117.553 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -111.99 168.44 9.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.544 1.164 . . . . 0.0 111.082 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -70.14 153.78 42.72 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.476 -1.39 . . . . 0.0 109.898 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.95 113.75 27.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.953 1.359 . . . . 0.0 113.956 -163.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -90.1 157.75 17.62 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.504 -168.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.25 -46.29 87.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -70.75 -43.06 69.6 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.026 -1.671 . . . . 0.0 114.449 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -73.2 -19.26 61.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.334 -1.479 . . . . 0.0 113.337 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.89 -53.13 60.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.653 1.581 . . . . 0.0 112.225 163.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -64.19 -37.1 86.26 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.457 -1.402 . . . . 0.0 113.34 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -62.63 -34.3 76.76 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.319 43.1 pt -65.3 -49.21 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.093 -1.629 . . . . 0.0 114.189 173.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.18 -40.94 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.0 m -83.25 -55.72 4.18 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.126 1.37 . . . . 0.0 113.948 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.606 4.4 pt-20 -74.79 13.21 0.68 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -170.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.58 157.13 4.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.835 1.654 . . . . 0.0 111.433 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -87.86 173.55 8.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.934 -1.729 . . . . 0.0 108.287 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -63.09 -41.5 99.41 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 118.963 -2.336 . . . . 0.0 112.513 170.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -46.09 -56.55 5.45 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.8 -33.81 37.27 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -81.8 -48.74 11.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.934 1.294 . . . . 0.0 108.815 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -48.97 -39.7 27.58 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.7 m -63.44 -34.94 78.85 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.77 -45.03 65.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.307 -2.12 . . . . 0.0 111.49 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.3 mt -56.47 -39.62 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 126.444 1.898 . . . . 0.0 114.061 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.27 -37.25 77.81 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -94.62 -26.33 16.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.914 -1.742 . . . . 0.0 112.912 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.29 60.01 1.32 Allowed 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 -170.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -54.0 -70.9 0.08 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -165.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -73.78 -31.28 63.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.71 1.204 . . . . 0.0 112.276 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.61 -50.4 25.64 Favored Glycine 0 N--CA 1.431 -1.684 0 O-C-N 120.765 -1.209 . . . . 0.0 112.28 -171.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 0.1 OUTLIER -70.6 -46.11 64.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 115.943 -1.98 . . . . 0.0 110.806 178.221 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -36.54 -61.22 0.54 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 122.558 2.436 . . . . 0.0 116.484 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.11 9.27 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 121.678 -0.639 . . . . 0.0 113.855 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 76' ' ' GLY . 11.2 m -71.78 -19.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 118.868 -2.548 . . . . 0.0 114.377 -169.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -81.22 -18.46 46.02 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 124.972 1.309 . . . . 0.0 112.321 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -66.45 -38.8 88.16 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 115.65 -2.42 . . . . 0.0 111.477 163.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.94 -58.97 3.23 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.409 1.884 . . . . 0.0 107.113 -173.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.79 -36.29 64.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.714 -1.866 . . . . 0.0 115.331 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.33 -65.03 0.75 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 119.519 1.054 . . . . 0.0 111.021 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.272 6.2 ptp -47.87 -33.79 7.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -82.01 -4.41 56.68 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.486 -1.384 . . . . 0.0 111.325 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.294 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 CA-C-O 123.452 1.596 . . . . 0.0 107.853 171.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 8' ' ' VAL . 74.0 m-80 . . . . . 0 N--CA 1.429 -1.481 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.88 -49.21 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 126.908 2.083 . . . . 0.0 114.672 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.04 -37.24 14.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.712 2.405 . . . . 0.0 114.161 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -54.66 7.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.91 1.284 . . . . 0.0 109.005 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 4' ' ' ASN . 1.4 t -57.54 -33.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.594 1.558 . . . . 0.0 112.174 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -55.85 -66.85 0.35 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.989 2.916 . . . . 0.0 112.084 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 10' ' ' GLU . 8.4 pt-20 -66.95 -25.14 66.19 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 mt -72.07 -36.57 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 120.639 -1.288 . . . . 0.0 112.904 174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.6 mt -48.09 -53.69 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 128.112 2.565 . . . . 0.0 114.387 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 42' ' ' VAL . 7.3 p -67.53 -48.45 66.98 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.672 1.124 . . . . 0.0 111.521 -173.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 17' ' ' ILE . 51.8 t -47.29 -33.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.525 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.68 -11.7 47.58 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 117.842 -3.036 . . . . 0.0 111.979 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 94.3 p -84.08 -26.86 28.67 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.118 -0.989 . . . . 0.0 109.794 172.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' A' ' 17' ' ' ILE . 6.8 mm -51.67 -48.7 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-N 120.457 1.481 . . . . 0.0 113.461 159.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.29 -41.14 98.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.5 mt -78.78 -20.42 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.483 -2.636 . . . . 0.0 116.044 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.94 80.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.156 -2.215 . . . . 0.0 111.649 166.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -84.14 3.24 35.84 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 61.82 39.66 13.64 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.665 1.986 . . . . 0.0 115.051 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -111.84 52.84 0.74 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.927 1.346 . . . . 0.0 111.688 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.333 0.0 OUTLIER -67.18 -6.8 19.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.111 2.634 . . . . 0.0 118.111 176.665 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -57.88 -35.61 71.23 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.603 1.961 . . . . 0.0 114.0 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.4 -38.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 125.841 1.657 . . . . 0.0 110.764 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.47 -34.8 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 111.461 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -56.65 -12.83 2.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 130.13 3.372 . . . . 0.0 117.864 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -141.3 139.22 33.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.015 -2.303 . . . . 0.0 108.478 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -55.55 -40.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.82 1.648 . . . . 0.0 114.147 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.08 -56.43 11.57 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.955 -2.341 . . . . 0.0 115.104 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -45.92 -35.42 4.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -72.44 -45.63 58.71 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 126.067 1.747 . . . . 0.0 111.987 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.88 -40.04 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 128.954 2.902 . . . . 0.0 113.829 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -53.11 61.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.724 -1.235 . . . . 0.0 111.332 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -54.79 -33.78 61.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 168.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.973 -2.33 . . . . 0.0 112.331 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.29 -31.17 71.3 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.117 -1.614 . . . . 0.0 113.789 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.37 -67.58 0.31 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.507 -1.371 . . . . 0.0 113.603 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.452 HG21 HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -80.37 -12.48 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 121.639 0.733 . . . . 0.0 112.543 -167.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.98 40.52 6.17 Favored Glycine 0 N--CA 1.43 -1.725 0 CA-C-O 117.982 -1.455 . . . . 0.0 115.592 169.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.26 109.98 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 121.831 2.815 . . . . 0.0 109.218 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.26 127.78 53.49 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -74.24 -92.57 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -92.81 51.97 1.78 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 118.751 -2.468 . . . . 0.0 108.161 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.71 15.33 68.67 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 125.053 1.311 . . . . 0.0 114.378 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -127.97 161.34 29.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.67 1.188 . . . . 0.0 109.231 -172.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.72 140.97 58.93 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.534 1.159 . . . . 0.0 112.539 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 124.69 35.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-O 122.484 1.135 . . . . 0.0 111.147 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -101.45 170.57 8.12 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 125.655 1.582 . . . . 0.0 110.852 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -42.9 75.85 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.558 -1.339 . . . . 0.0 114.179 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -72.46 -39.0 68.1 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.25 -1.531 . . . . 0.0 114.107 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.6 m -70.55 -23.56 62.64 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.027 1.331 . . . . 0.0 113.137 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -65.35 -45.4 84.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.562 1.649 . . . . 0.0 111.967 168.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -70.27 -33.16 71.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.692 -1.88 . . . . 0.0 112.918 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.264 2.4 ptmm? -56.27 -47.8 77.87 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 165.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.277 26.5 pt -58.45 -44.38 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 124.677 1.191 . . . . 0.0 112.678 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -76.46 -44.13 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -74.26 -54.37 7.85 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -78.55 -0.23 28.83 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -162.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.6 mt -41.01 142.22 0.52 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.898 2.079 . . . . 0.0 114.717 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -86.02 171.72 11.19 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.026 -1.671 . . . . 0.0 108.129 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -67.85 -37.93 82.5 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.697 -1.877 . . . . 0.0 111.848 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -58.5 -40.93 84.16 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.625 2.37 . . . . 0.0 115.428 168.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -65.32 -36.54 84.36 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.564 -1.96 . . . . 0.0 112.762 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -75.3 -46.14 35.29 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.777 1.231 . . . . 0.0 110.224 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -52.58 -37.88 58.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 126.598 1.959 . . . . 0.0 113.988 166.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -58.26 -44.84 88.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.751 -1.218 . . . . 0.0 113.174 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.8 75.98 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.835 -1.79 . . . . 0.0 112.457 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.18 -46.98 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.394 1.478 . . . . 0.0 114.017 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -70.84 -37.22 73.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.57 -35.69 15.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.221 -1.549 . . . . 0.0 112.945 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.55 68.14 0.73 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.66 -1.9 . . . . 0.0 107.193 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -57.89 -71.56 0.1 Allowed 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.02 1.328 . . . . 0.0 114.504 -170.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -58.69 -51.15 71.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.22 -52.51 43.51 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 124.339 0.971 . . . . 0.0 115.43 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' B' ' 81' ' ' TYR . 4.2 t80 -72.7 -20.87 61.15 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 119.653 1.726 . . . . 0.0 110.522 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -56.08 -60.31 3.66 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.399 -2.063 . . . . 0.0 112.223 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.57 1.0 Allowed Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -32.16 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.686 -2.067 . . . . 0.0 114.567 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' B' ' 77' ' ' PHE . 59.4 t80 -77.7 -13.09 60.0 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.024 1.738 . . . . 0.0 114.385 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -62.77 -47.74 82.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.589 -2.569 . . . . 0.0 112.534 159.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -64.79 -60.52 2.99 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.037 1.735 . . . . 0.0 109.248 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.0 mt -49.08 -37.32 20.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.801 2.44 . . . . 0.0 115.484 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.33 -37.03 38.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 121.91 -0.494 . . . . 0.0 111.393 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.6 ptp -76.42 -29.75 57.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.244 -1.535 . . . . 0.0 112.402 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.45 -5.63 58.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.929 -1.107 . . . . 0.0 112.031 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.341 1.7 t . . . . . 0 N--CA 1.431 -1.419 0 CA-C-O 123.596 1.665 . . . . 0.0 108.778 172.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.51 -27.16 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 128.183 2.593 . . . . 0.0 115.335 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.37 -40.34 96.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 124.111 1.91 . . . . 0.0 109.397 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 m -77.48 -42.23 36.53 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.285 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.78 -42.85 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 O-C-N 119.366 -2.084 . . . . 0.0 113.595 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.74 -51.84 67.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 129.147 2.979 . . . . 0.0 112.118 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 120.074 -1.641 . . . . 0.0 112.574 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mt -69.55 -35.44 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.111 -2.243 . . . . 0.0 112.205 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG23 HG21 ' A' ' 80' ' ' VAL . 26.8 mt -50.7 -44.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.202 2.601 . . . . 0.0 115.906 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.47 HG21 HG22 ' B' ' 42' ' ' VAL . 5.0 p -66.32 -47.24 74.18 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.605 -1.31 . . . . 0.0 110.633 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -52.37 -49.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.195 2.998 . . . . 0.0 114.2 171.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -30.61 69.59 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.287 -2.133 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -76.88 -11.55 59.84 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.121 -2.862 . . . . 0.0 115.001 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 HG21 ' B' ' 17' ' ' ILE . 10.2 mm -65.71 -49.11 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 124.923 1.289 . . . . 0.0 107.887 166.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 4.8 mt -61.01 -33.64 73.58 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.717 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.7 mt -80.75 -25.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 111.92 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -60.5 -43.78 96.67 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.711 -1.868 . . . . 0.0 112.169 169.396 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -89.21 -5.92 57.29 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.855 1.662 . . . . 0.0 112.124 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t 59.33 49.49 8.84 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 117.63 2.455 . . . . 0.0 117.63 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -108.4 46.48 0.96 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 128.804 2.842 . . . . 0.0 112.069 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.339 0.0 OUTLIER -64.56 -17.05 63.59 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 -176.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.82 -39.02 11.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 164.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.13 -42.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.931 -1.731 . . . . 0.0 112.798 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -67.55 -33.97 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.401 1.88 . . . . 0.0 113.808 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.272 6.6 pt-20 -59.36 -20.62 56.2 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -168.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -133.42 140.35 47.27 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.337 -2.102 . . . . 0.0 114.124 167.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.253 0.7 OUTLIER -38.26 -52.9 1.49 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 128.628 2.771 . . . . 0.0 114.597 175.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 -22.58 45.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.777 -2.452 . . . . 0.0 115.787 -171.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -73.87 -38.56 64.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.24 -1.537 . . . . 0.0 107.814 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.17 -62.74 1.55 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.814 2.446 . . . . 0.0 115.397 168.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.286 7.6 mt -40.72 -44.64 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 166.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.12 91.13 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 117.959 -2.963 . . . . 0.0 113.078 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.0 t80 -55.4 -47.22 76.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.994 2.917 . . . . 0.0 111.835 167.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.54 -44.71 62.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.913 1.688 . . . . 0.0 114.803 173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -66.96 -28.65 68.45 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.719 -1.238 . . . . 0.0 113.536 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -72.61 -54.75 8.25 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.487 -1.383 . . . . 0.0 112.304 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.78 -21.07 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.06 45.9 3.22 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 124.501 1.048 . . . . 0.0 115.197 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.67 118.42 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 120.353 -1.675 . . . . 0.0 109.795 170.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -112.51 149.71 32.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.572 1.149 . . . . 0.0 108.218 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -76.91 -95.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.947 -1.096 . . . . 0.0 111.625 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.38 14.87 1.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.785 -1.822 . . . . 0.0 114.892 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.42 4.23 62.58 Favored Glycine 0 N--CA 1.429 -1.772 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -164.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -96.43 138.74 33.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 100.222 -3.992 . . . . 0.0 100.222 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.36 143.56 36.76 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 128.44 36.32 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.881 1.324 . . . . 0.0 111.986 -151.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -98.66 154.57 17.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.733 1.213 . . . . 0.0 109.754 -172.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.94 -33.71 76.45 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.118 -1.614 . . . . 0.0 114.554 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -70.11 -57.15 5.28 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.12 1.368 . . . . 0.0 113.017 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.1 m -70.4 -10.62 59.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 118.784 -2.447 . . . . 0.0 116.558 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.3 -57.68 10.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.012 1.325 . . . . 0.0 111.561 161.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -65.76 -25.42 67.27 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 121.061 -1.024 . . . . 0.0 112.675 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.306 35.7 pttt -63.46 -48.69 76.65 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 164.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.28 26.3 pt -59.66 -44.34 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 119.609 -1.932 . . . . 0.0 114.009 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.9 -38.83 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -92.05 -26.68 18.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 118.07 2.618 . . . . 0.0 118.07 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -83.04 1.05 42.02 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 124.922 3.51 . . . . 0.0 114.88 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -48.51 141.46 6.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.729 1.612 . . . . 0.0 114.86 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.3 p -81.28 169.08 17.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.315 -0.866 . . . . 0.0 109.187 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.28 -33.94 73.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.182 -2.199 . . . . 0.0 110.647 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -34.86 76.61 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 125.337 1.455 . . . . 0.0 114.674 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -65.14 -39.33 92.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.367 1.556 . . . . 0.0 113.198 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -74.02 -46.55 42.77 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.858 1.263 . . . . 0.0 110.867 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -39.01 65.16 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.864 1.666 . . . . 0.0 113.618 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 m -62.09 -39.86 93.89 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.581 -1.949 . . . . 0.0 114.281 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.5 -40.26 89.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.18 -37.41 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.867 1.267 . . . . 0.0 112.379 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.18 -38.19 72.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -82.77 -40.37 20.57 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 120.182 1.355 . . . . 0.0 113.202 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.267 52.8 m-85 -125.42 66.77 1.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.93 2.492 . . . . 0.0 111.345 -167.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.92 -63.82 1.17 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.429 1.492 . . . . 0.0 114.578 -163.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -71.87 -38.86 69.96 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.848 1.659 . . . . 0.0 111.696 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.01 9.06 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 126.661 2.077 . . . . 0.0 113.459 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.312 1.1 t80 -72.76 -32.67 65.81 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.563 -0.963 . . . . 0.0 111.263 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -48.25 -57.34 6.09 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.697 -2.502 . . . . 0.0 114.602 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.03 -64.42 3.53 Favored Glycine 0 N--CA 1.43 -1.702 0 O-C-N 120.554 -1.341 . . . . 0.0 113.746 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG21 HG23 ' A' ' 12' ' ' ILE . 9.8 m -70.71 -20.13 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.562 -2.728 . . . . 0.0 113.92 -166.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -87.28 -11.05 50.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.331 -1.481 . . . . 0.0 112.469 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.45 -40.06 95.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.662 -2.524 . . . . 0.0 111.164 159.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -69.29 -53.38 20.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.046 2.138 . . . . 0.0 108.138 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.65 -51.92 67.89 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.43 -1.419 . . . . 0.0 111.827 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -56.01 -36.59 68.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.0 ptp -82.67 -21.98 34.76 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 121.169 -0.957 . . . . 0.0 112.529 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-30 -90.58 4.78 50.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.505 -1.372 . . . . 0.0 111.661 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 122.975 1.369 . . . . 0.0 108.77 171.393 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 CA--C 1.489 -1.396 0 CA-C-O 124.107 1.908 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.407 HD13 HG21 ' B' ' 5' ' ' ILE . 8.4 tt -62.55 -38.49 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 113.034 -1.893 . . . . 0.0 114.491 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.84 -47.21 77.67 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 128.183 2.593 . . . . 0.0 113.776 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.43 HG22 HD11 ' B' ' 11' ' ' ILE . 10.0 m -75.14 -41.83 57.45 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.614 1.166 . . . . 0.0 109.959 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 36.9 t -53.38 -40.06 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 119.934 -1.729 . . . . 0.0 114.083 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -54.81 -56.87 14.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 128.851 2.86 . . . . 0.0 113.229 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -50.06 -47.68 53.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.285 1.834 . . . . 0.0 115.177 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.43 HD11 HG22 ' B' ' 7' ' ' THR . 4.8 mt -79.86 -27.85 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 120.017 -1.677 . . . . 0.0 113.678 -173.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -48.19 -56.93 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 127.112 2.165 . . . . 0.0 113.171 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -69.9 -38.39 76.3 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.669 -1.269 . . . . 0.0 113.178 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 17' ' ' ILE . 6.9 t -51.36 -46.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 165.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.23 63.33 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 117.519 -3.238 . . . . 0.0 113.788 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 p -72.03 -18.75 61.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.159 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.649 HD11 HG13 ' A' ' 14' ' ' VAL . 9.7 mm -58.73 -55.22 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 124.827 1.251 . . . . 0.0 111.201 162.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 2.7 mp -61.15 -39.29 89.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.871 -1.143 . . . . 0.0 111.053 -175.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.54 -33.67 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.023 1.729 . . . . 0.0 110.961 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.15 79.72 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 120.687 1.585 . . . . 0.0 112.284 168.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -86.67 10.19 16.43 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.38 28.66 16.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.65 49.18 1.11 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.031 2.132 . . . . 0.0 110.608 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.318 0.0 OUTLIER -61.41 -16.72 49.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 168.737 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -51.17 -31.44 20.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.24 -47.69 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.694 1.198 . . . . 0.0 111.224 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.72 -39.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.431 2.692 . . . . 0.0 112.032 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 28.1 tt0 -50.42 -14.14 0.16 Allowed 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 130.419 3.487 . . . . 0.0 119.83 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -144.22 131.28 20.52 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.818 -2.426 . . . . 0.0 110.57 167.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -31.04 -49.57 0.13 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.882 2.873 . . . . 0.0 114.939 164.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.73 42.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.252 -2.155 . . . . 0.0 111.739 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -66.17 -41.67 90.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.155 -2.216 . . . . 0.0 111.959 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.69 -50.5 72.97 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.057 1.743 . . . . 0.0 113.761 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -51.95 -48.39 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.29 2.236 . . . . 0.0 113.345 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.31 95.53 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 114.157 -3.017 . . . . 0.0 115.635 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.467 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 16.6 t80 -56.61 -38.96 72.77 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.075 1.75 . . . . 0.0 113.06 169.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.9 -41.83 75.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.597 -2.564 . . . . 0.0 113.055 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -72.15 -20.32 61.63 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.853 1.261 . . . . 0.0 111.095 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.353 18.0 mt-10 -71.6 -54.91 8.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 119.192 -1.003 . . . . 0.0 113.053 171.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.98 -17.03 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.024 -1.673 . . . . 0.0 110.306 -166.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 36.82 12.61 Favored Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 115.816 1.087 . . . . 0.0 115.816 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.47 HG22 HG21 ' A' ' 13' ' ' THR . 64.0 t -79.23 118.1 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 CA-C-N 118.773 1.287 . . . . 0.0 110.413 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -116.87 147.22 42.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.102 0.961 . . . . 0.0 109.2 -174.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.261 47.0 t60 -75.63 -90.05 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -93.94 50.89 1.46 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.264 -2.148 . . . . 0.0 111.765 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.7 1.15 44.56 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 125.363 1.459 . . . . 0.0 115.42 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -93.91 138.87 31.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.771 1.628 . . . . 0.0 110.404 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -62.21 121.1 12.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.494 1.118 . . . . 0.0 108.204 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.33 130.74 36.54 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 122.632 1.206 . . . . 0.0 110.602 -146.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -94.79 154.97 17.02 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.364 -0.835 . . . . 0.0 111.486 -170.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.22 -39.84 74.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -74.15 -37.98 63.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.118 -1.614 . . . . 0.0 113.774 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.5 m -81.34 -15.14 56.24 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.048 -1.657 . . . . 0.0 113.124 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.15 -50.65 67.34 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.677 1.591 . . . . 0.0 111.406 162.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -69.38 -23.34 63.72 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.961 -1.712 . . . . 0.0 112.322 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.257 8.8 ptmt -61.48 -55.6 29.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 161.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 26.5 pt -54.85 -41.95 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.88 -41.13 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 N-CA-C 114.428 1.269 . . . . 0.0 114.428 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -85.3 -47.92 9.57 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.401 4.7 pt-20 -78.2 15.49 0.93 Allowed 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 120.905 1.684 . . . . 0.0 114.989 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.67 133.34 56.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.077 0.941 . . . . 0.0 111.375 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -75.29 170.05 16.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.552 -1.343 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -69.35 -37.32 77.59 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 120.265 -1.522 . . . . 0.0 112.131 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.38 -28.51 67.99 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 170.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -65.0 -39.02 92.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.673 -1.892 . . . . 0.0 111.811 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -77.75 -41.03 39.0 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.664 -1.897 . . . . 0.0 110.042 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.68 63.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.504 1.522 . . . . 0.0 112.826 166.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -59.54 -42.51 92.5 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.233 -0.917 . . . . 0.0 113.439 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.04 -37.22 78.48 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.255 -1.528 . . . . 0.0 112.36 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.4 -41.41 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.295 -1.503 . . . . 0.0 112.593 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -68.03 -37.43 81.35 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.337 -1.477 . . . . 0.0 114.428 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -87.1 -28.06 22.75 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.732 -1.855 . . . . 0.0 115.129 -175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -136.7 66.19 1.49 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 120.354 -1.466 . . . . 0.0 110.776 -169.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -51.04 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.88 -30.88 58.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.702 -1.874 . . . . 0.0 111.382 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.12 -56.37 8.04 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 125.135 1.35 . . . . 0.0 112.227 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.375 0.2 OUTLIER -70.94 -37.27 72.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 117.77 -1.109 . . . . 0.0 109.477 -176.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -46.73 -57.33 4.96 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.54 -53.78 33.21 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 119.89 -1.756 . . . . 0.0 114.681 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.74 -19.86 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.056 -3.026 . . . . 0.0 111.693 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -75.05 -23.13 58.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.354 -1.466 . . . . 0.0 112.972 172.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -64.3 -38.21 90.23 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 125.246 2.451 . . . . 0.0 112.192 169.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.12 -53.4 25.6 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 111.639 -2.528 . . . . 0.0 108.936 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.67 -20.73 63.76 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.854 -2.404 . . . . 0.0 116.882 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.15 -44.95 18.99 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.126 -2.234 . . . . 0.0 110.327 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.48 -26.07 57.89 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.062 -2.274 . . . . 0.0 112.984 -164.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 24.0 m-85 -91.8 4.92 51.73 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.564 -174.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.385 15.4 t . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 124.437 2.065 . . . . 0.0 111.189 173.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 tt -42.82 -57.96 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 127.709 2.404 . . . . 0.0 117.09 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -50.52 -40.78 52.49 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.001 1.72 . . . . 0.0 114.384 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -48.96 74.11 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.473 1.509 . . . . 0.0 109.621 172.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.03 -63.24 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 125.491 1.517 . . . . 0.0 110.307 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -32.59 -58.9 0.33 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.862 3.665 . . . . 0.0 120.594 164.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.56 -29.37 65.8 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 113.576 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.403 ' CG1' HG11 ' A' ' 42' ' ' VAL . 87.1 mt -75.56 -34.64 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 120.578 -1.326 . . . . 0.0 111.266 173.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.32 -53.85 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.005 2.122 . . . . 0.0 112.976 168.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -53.96 -46.88 71.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 120.849 1.659 . . . . 0.0 115.405 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.04 -45.23 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 119.958 -1.714 . . . . 0.0 113.318 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.66 87.05 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.667 -1.27 . . . . 0.0 113.254 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -73.06 -13.82 61.28 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -72.18 -40.43 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.982 2.113 . . . . 0.0 110.339 167.31 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.16 -27.14 68.51 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.229 -2.794 . . . . 0.0 112.514 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.347 48.9 mt -79.56 -45.56 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.492 -1.38 . . . . 0.0 111.452 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -36.22 -52.82 0.81 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 161.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.4 -18.21 57.48 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.319 0.9 OUTLIER 72.97 49.07 0.16 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.484 2.313 . . . . 0.0 115.385 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.63 42.99 3.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.906 3.282 . . . . 0.0 113.039 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -60.25 -16.3 32.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -179.105 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -28.4 -49.19 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.537 2.735 . . . . 0.0 117.816 164.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.53 -43.52 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.709 1.604 . . . . 0.0 112.253 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.48 -35.27 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.777 1.631 . . . . 0.0 113.849 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 15.0 tt0 -61.9 -29.74 70.41 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -175.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -110.35 119.21 38.5 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.221 -1.549 . . . . 0.0 108.698 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -42.93 -54.63 4.12 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.971 2.508 . . . . 0.0 113.24 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.13 56.11 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -86.03 -31.55 21.93 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.523 1.154 . . . . 0.0 108.724 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.83 -55.39 35.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.342 1.457 . . . . 0.0 111.629 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 54' ' ' PHE . 63.5 mt -57.67 -40.11 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.018 2.527 . . . . 0.0 114.075 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.1 72.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.512 -1.368 . . . . 0.0 113.521 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -80.58 -33.36 36.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.392 -1.443 . . . . 0.0 109.578 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 14.2 mt -56.72 -49.33 75.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.578 -1.951 . . . . 0.0 112.851 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.06 -22.25 66.72 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.82 -47.44 12.83 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.059 1.3 . . . . 0.0 113.042 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 42' ' ' VAL 0.252 0.2 OUTLIER -83.59 -5.92 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.116 -1.615 . . . . 0.0 113.32 179.88 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 51.08 17.09 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.648 -1.282 . . . . 0.0 115.016 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 HD11 ' A' ' 40' ' ' ILE . 38.3 t -80.44 110.01 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -112.38 123.65 50.76 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.266 14.8 t-160 -64.74 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -101.75 57.0 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.561 -1.962 . . . . 0.0 107.594 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.66 9.93 59.81 Favored Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 116.373 1.309 . . . . 0.0 116.373 -167.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -126.77 163.54 23.33 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.751 2.776 . . . . 0.0 107.597 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -82.39 175.59 10.12 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.796 0.839 . . . . 0.0 112.606 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.21 127.56 55.02 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 123.343 1.544 . . . . 0.0 113.839 -161.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -93.09 159.66 15.2 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 111.164 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -66.72 -32.63 74.05 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.0 -1.687 . . . . 0.0 114.863 173.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -72.22 -48.54 42.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 111.984 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 -36.19 80.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.2 t80 -49.43 -60.7 2.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.293 1.044 . . . . 0.0 112.46 170.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -61.85 -22.45 65.53 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.363 23.9 pttt -59.14 -52.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.953 1.252 . . . . 0.0 114.176 164.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.285 0.0 OUTLIER -61.57 -50.59 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 118.995 -2.315 . . . . 0.0 112.856 -174.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.25 -32.48 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -92.45 -39.11 11.6 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.9 9.49 14.23 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.288 -2.133 . . . . 0.0 114.578 -167.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.11 150.92 5.34 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.653 1.581 . . . . 0.0 113.803 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -88.25 169.43 11.87 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 171.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -67.11 -28.19 67.95 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.764 -2.46 . . . . 0.0 112.08 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.2 -38.68 90.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.304 1.442 . . . . 0.0 113.297 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.15 -36.9 83.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 120.576 -1.327 . . . . 0.0 113.583 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -82.34 -31.06 30.05 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.626 -1.296 . . . . 0.0 111.523 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -37.54 87.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.006 0.923 . . . . 0.0 111.377 166.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -59.71 -43.19 94.25 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 121.213 -0.929 . . . . 0.0 112.276 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.48 -50.9 56.91 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.373 1.069 . . . . 0.0 111.568 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -50.96 -40.95 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 126.211 1.804 . . . . 0.0 113.831 172.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -59.13 -41.79 89.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 126.229 1.812 . . . . 0.0 114.183 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -93.75 -32.44 14.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.784 -1.823 . . . . 0.0 114.755 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -124.56 69.26 1.09 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -168.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -57.39 -70.96 0.11 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.108 1.363 . . . . 0.0 112.373 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.08 -42.14 97.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.663 1.585 . . . . 0.0 112.76 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -60.25 8.34 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 125.885 1.707 . . . . 0.0 114.374 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.274 0.2 OUTLIER -71.32 -44.19 65.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 116.764 -1.589 . . . . 0.0 109.636 -174.098 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -43.61 -54.42 4.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 121.017 1.735 . . . . 0.0 114.798 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.23 -62.76 5.53 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 116.197 1.239 . . . . 0.0 116.197 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.46 -23.71 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 118.927 -2.513 . . . . 0.0 115.468 -172.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -78.3 -17.34 56.74 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.102 1.361 . . . . 0.0 112.734 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -66.11 -43.35 87.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.052 -1.655 . . . . 0.0 111.983 160.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.33 -54.64 25.94 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.588 1.555 . . . . 0.0 108.364 -171.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -49.54 -59.29 3.89 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.235 -1.54 . . . . 0.0 112.097 174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -42.53 50.21 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -174.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.0 ptp -78.95 -26.29 43.58 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 19.2 m-30 -85.58 -6.93 59.11 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 118.779 -2.45 . . . . 0.0 111.604 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.584 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.428 0 C-N-CA 126.594 1.958 . . . . 0.0 112.314 169.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 122.825 1.297 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 tt -61.22 -47.08 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 C-N-CA 126.229 1.812 . . . . 0.0 112.837 -168.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -63.19 -33.73 76.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.3 m -70.28 -48.88 54.74 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.026 -1.046 . . . . 0.0 111.078 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.95 -41.59 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 172.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -64.14 -58.44 6.61 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 130.324 3.449 . . . . 0.0 112.053 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.64 -28.69 70.09 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.84 -28.83 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.167 -2.833 . . . . 0.0 113.366 170.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -57.12 -55.75 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 118.725 -2.485 . . . . 0.0 113.317 173.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.1 p -60.84 -36.3 78.78 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.224 1.81 . . . . 0.0 113.4 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.19 -44.98 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.194 1.798 . . . . 0.0 113.04 172.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.83 65.09 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.953 -2.342 . . . . 0.0 111.903 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p -54.82 -40.56 69.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -49.88 -45.0 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 125.262 1.425 . . . . 0.0 113.244 167.189 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.78 -42.55 93.58 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.088 -1.633 . . . . 0.0 114.33 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.31 -38.49 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-O 117.305 -1.331 . . . . 0.0 113.034 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -46.35 -57.12 4.91 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 121.842 2.11 . . . . 0.0 113.278 166.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' PHE . . . . . 0.623 ' CE2' HG23 ' B' ' 17' ' ' ILE . 19.8 m-85 -74.0 -26.51 60.49 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.292 15.5 t 95.79 47.44 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.686 2.794 . . . . 0.0 111.064 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -123.92 51.79 1.51 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 128.637 2.775 . . . . 0.0 106.819 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -15.42 57.76 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.178 -1.576 . . . . 0.0 112.78 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -58.46 -24.44 60.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.198 1.799 . . . . 0.0 115.657 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.12 -48.93 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.128 -1.607 . . . . 0.0 109.507 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 -38.36 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.491 2.316 . . . . 0.0 112.394 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.1 tm-20 -54.84 -18.54 4.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.245 3.018 . . . . 0.0 117.627 177.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.18 137.11 54.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.75 -1.218 . . . . 0.0 109.716 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -57.57 -56.47 21.43 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.883 -1.761 . . . . 0.0 112.084 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.4 97.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -168.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -73.23 -26.18 61.02 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.707 -1.871 . . . . 0.0 113.202 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -69.05 -48.04 63.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.857 1.663 . . . . 0.0 110.723 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.93 -36.34 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 C-N-CA 128.802 2.841 . . . . 0.0 112.969 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.32 76.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 125.101 1.361 . . . . 0.0 107.731 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -58.67 -36.28 73.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 166.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.32 -41.84 90.01 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.604 -1.935 . . . . 0.0 113.035 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.18 -25.52 64.38 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.952 -1.718 . . . . 0.0 114.582 169.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.99 -60.59 2.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.83 1.252 . . . . 0.0 112.536 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.93 -14.26 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.613 1.197 . . . . 0.0 111.485 -170.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.67 47.92 5.18 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 117.864 -1.52 . . . . 0.0 115.28 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.51 117.65 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-N 122.421 3.111 . . . . 0.0 104.804 160.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -125.26 132.97 52.85 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.203 1.001 . . . . 0.0 109.48 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -71.41 -84.02 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -170.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -90.13 38.23 0.92 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.286 -2.759 . . . . 0.0 109.947 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.73 2.82 71.27 Favored Glycine 0 N--CA 1.43 -1.739 0 O-C-N 119.615 -1.928 . . . . 0.0 114.818 -166.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -102.97 147.67 26.64 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.053 1.341 . . . . 0.0 111.006 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -77.61 143.2 38.44 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.982 -1.074 . . . . 0.0 113.793 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -85.69 124.82 32.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.723 -1.236 . . . . 0.0 113.897 -156.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -84.16 164.69 19.0 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.485 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.13 -2.232 . . . . 0.0 112.861 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.25 -38.14 60.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.788 -1.195 . . . . 0.0 112.622 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.1 m -75.97 -30.61 58.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.809 -1.182 . . . . 0.0 112.551 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -66.06 -45.58 80.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.83 0.824 . . . . 0.0 108.979 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -65.14 -36.32 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.699 -1.876 . . . . 0.0 115.767 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -63.49 -25.26 68.18 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.454 0.1 OUTLIER -68.31 -51.72 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 162.272 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -80.29 -37.75 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -66.37 -60.75 2.47 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.353 -2.092 . . . . 0.0 115.785 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.94 10.81 20.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.682 -1.886 . . . . 0.0 115.835 -159.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.1 mt -51.49 134.14 29.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.061 2.144 . . . . 0.0 115.824 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.5 p -61.78 150.06 38.15 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -56.27 -45.08 80.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 112.786 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -54.33 -43.86 71.59 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.94 -27.85 65.09 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.039 -1.663 . . . . 0.0 113.609 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -76.83 -44.55 31.99 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.65 -1.906 . . . . 0.0 110.239 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -60.4 -30.66 69.74 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.746 1.218 . . . . 0.0 113.179 169.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.1 m -59.56 -45.53 91.57 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.271 1.829 . . . . 0.0 110.998 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.75 -36.9 62.61 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.549 -1.97 . . . . 0.0 112.382 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.22 -43.06 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.26 -1.525 . . . . 0.0 113.556 167.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -63.38 -49.57 73.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -93.62 -25.46 17.51 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -166.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -121.28 67.25 0.88 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.863 2.065 . . . . 0.0 109.907 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -57.63 -71.75 0.1 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.234 -1.541 . . . . 0.0 115.132 -166.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.22 -43.34 82.29 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.05 -44.77 65.34 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.695 -1.253 . . . . 0.0 115.106 -172.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.351 0.2 OUTLIER -74.75 -36.22 62.62 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 118.675 1.238 . . . . 0.0 109.843 -176.232 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -44.83 -59.29 2.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.331 1.878 . . . . 0.0 114.367 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.58 -65.57 3.17 Favored Glycine 0 N--CA 1.429 -1.788 0 N-CA-C 115.768 1.067 . . . . 0.0 115.768 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -68.02 -20.47 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.134 -2.392 . . . . 0.0 114.657 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -80.63 -20.93 42.06 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.845 -1.784 . . . . 0.0 113.706 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -61.63 -41.88 98.12 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.594 -1.642 . . . . 0.0 112.941 163.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.19 -54.12 20.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 128.269 2.628 . . . . 0.0 107.954 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.0 -48.85 78.78 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -57.1 -43.08 81.88 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.8 ptp -75.82 -24.26 55.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.429 1.109 . . . . 0.0 112.95 -173.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-30 -89.16 -3.75 58.5 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.912 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.52 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.482 0 CA-C-O 123.456 1.598 . . . . 0.0 110.55 169.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 N--CA 1.43 -1.471 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -62.43 -43.24 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 127.739 2.415 . . . . 0.0 112.147 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.22 -39.64 71.59 Favored 'General case' 0 CA--C 1.488 -1.407 0 C-N-CA 124.68 1.192 . . . . 0.0 113.02 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -70.91 -39.53 72.68 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.7 -1.25 . . . . 0.0 111.164 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.69 -37.26 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.104 -2.248 . . . . 0.0 114.862 165.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -71.53 -48.79 46.52 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.131 1.772 . . . . 0.0 112.525 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.98 -30.72 71.73 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 113.252 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mt -80.36 -19.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.479 -2.013 . . . . 0.0 113.444 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.1 -53.95 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 117.815 -3.053 . . . . 0.0 110.443 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -58.73 -42.78 89.55 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.567 HG13 HD11 ' B' ' 17' ' ' ILE . 4.8 t -54.3 -45.83 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.655 1.982 . . . . 0.0 114.527 170.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.91 77.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.598 -1.939 . . . . 0.0 112.631 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.8 p -63.32 -29.09 70.46 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' B' ' 17' ' ' ILE . 19.5 mm -51.25 -54.47 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 164.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.12 -41.38 83.5 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.55 -34.25 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -50.95 -41.42 59.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.878 -2.389 . . . . 0.0 113.914 165.535 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -90.03 12.75 16.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t 50.91 38.95 21.51 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.763 2.025 . . . . 0.0 115.331 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -115.34 56.52 0.75 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.877 1.322 . . . . 0.0 110.238 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -6.12 23.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 169.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.94 -36.04 36.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.472 2.709 . . . . 0.0 114.869 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.4 mt -76.69 -43.78 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 125.413 1.485 . . . . 0.0 111.627 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.88 -44.72 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.395 1.878 . . . . 0.0 112.592 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.11 -14.02 0.98 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 130.381 3.472 . . . . 0.0 116.713 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -127.57 114.74 17.81 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.546 -1.972 . . . . 0.0 111.956 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -32.56 -64.34 0.18 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.702 3.201 . . . . 0.0 114.712 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -44.85 84.59 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.62 -36.05 73.44 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.5 t80 -64.02 -49.33 72.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.415 1.886 . . . . 0.0 112.727 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.6 -39.85 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 128.485 2.714 . . . . 0.0 113.465 169.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.16 74.68 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 123.877 0.871 . . . . 0.0 109.713 175.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -53.09 -43.35 66.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.649 1.98 . . . . 0.0 115.153 167.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' PHE . 15.8 mt -58.42 -44.08 88.94 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.433 -2.042 . . . . 0.0 113.734 175.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -72.77 -24.73 60.99 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.992 -1.692 . . . . 0.0 114.327 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.88 -46.04 59.2 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.65 1.58 . . . . 0.0 111.928 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.9 pt -89.63 -12.64 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.651 -1.281 . . . . 0.0 112.349 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.5 28.83 13.35 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.319 2.3 t -70.35 110.85 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 119.433 1.617 . . . . 0.0 108.956 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 p -102.92 142.91 33.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.87 1.268 . . . . 0.0 107.596 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -73.29 -95.09 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.515 -1.366 . . . . 0.0 112.302 168.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.82 47.44 1.1 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.12 -2.237 . . . . 0.0 110.193 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.56 -9.09 75.0 Favored Glycine 0 N--CA 1.43 -1.74 0 O-C-N 121.432 -0.792 . . . . 0.0 113.534 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -95.93 138.35 33.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.587 1.555 . . . . 0.0 109.544 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -63.46 147.19 51.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.145 -0.972 . . . . 0.0 111.043 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.88 123.34 31.9 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.492 -1.38 . . . . 0.0 114.409 -162.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -93.32 161.0 14.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.6 1.16 . . . . 0.0 110.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -73.33 -31.68 64.13 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.845 -1.785 . . . . 0.0 115.007 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -77.16 -40.39 45.64 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.567 -1.333 . . . . 0.0 113.427 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.1 m -74.21 -23.36 59.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.474 -1.391 . . . . 0.0 113.962 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -58.72 -53.28 60.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.007 1.323 . . . . 0.0 109.999 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -29.72 70.42 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.773 -1.205 . . . . 0.0 113.617 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 31.5 pttt -66.46 -42.89 86.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.958 1.708 . . . . 0.0 115.152 169.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 57' ' ' ILE 0.346 44.4 pt -56.53 -48.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 113.097 175.353 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -78.44 -41.7 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -80.93 -55.4 4.82 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.367 6.6 pt-20 -82.93 21.37 1.05 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -166.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.35 151.95 12.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.542 1.537 . . . . 0.0 112.855 165.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 p -78.91 170.0 17.35 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.419 -2.051 . . . . 0.0 111.739 173.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -60.33 -40.89 92.25 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.198 -1.564 . . . . 0.0 112.875 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.3 -31.92 70.71 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 124.864 1.266 . . . . 0.0 114.335 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.07 -41.01 97.71 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.108 1.432 . . . . 0.0 111.243 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -72.67 -46.46 53.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.74 1.616 . . . . 0.0 110.204 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -35.43 65.17 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.4 m -62.99 -39.72 95.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.112 -0.993 . . . . 0.0 112.772 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.15 -45.42 66.82 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.09 0.956 . . . . 0.0 112.004 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -49.17 -47.92 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.84 1.656 . . . . 0.0 113.604 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -66.48 -31.9 72.93 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -93.69 -37.08 12.01 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -114.37 65.54 0.67 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.386 1.475 . . . . 0.0 108.041 -170.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -59.76 -69.18 0.22 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -166.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.05 -32.94 74.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.773 -1.829 . . . . 0.0 114.341 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 -59.43 4.91 Favored Glycine 0 N--CA 1.43 -1.753 0 C-N-CA 125.045 1.307 . . . . 0.0 113.12 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.255 0.9 OUTLIER -77.06 -13.32 59.97 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.119 -1.224 . . . . 0.0 110.83 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.03 -61.46 2.62 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.15 -2.219 . . . . 0.0 110.452 165.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.72 -55.06 12.26 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 124.117 0.865 . . . . 0.0 114.859 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.39 -22.34 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 119.72 -2.047 . . . . 0.0 111.508 -167.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -76.13 -36.08 58.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.576 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.255 26.2 mmt180 -48.15 -46.73 34.81 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 120.753 1.615 . . . . 0.0 112.75 168.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.77 -53.1 59.55 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.599 1.56 . . . . 0.0 109.632 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.44 -37.72 86.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.956 -1.715 . . . . 0.0 114.883 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -70.28 -36.0 74.1 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.26 -1.525 . . . . 0.0 113.379 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.5 ptp -80.16 -26.87 39.14 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.224 -1.548 . . . . 0.0 115.088 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.87 -3.56 57.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.557 -1.339 . . . . 0.0 112.208 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.31 12.7 t . . . . . 0 N--CA 1.43 -1.453 0 O-C-N 120.644 -1.285 . . . . 0.0 113.489 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 tt -46.93 -58.3 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 C-N-CA 127.13 2.172 . . . . 0.0 115.171 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -32.12 -47.1 0.13 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.662 2.385 . . . . 0.0 116.853 172.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -51.48 65.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.646 1.578 . . . . 0.0 111.733 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.8 -39.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.769 2.028 . . . . 0.0 111.032 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -52.45 -59.11 4.82 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 129.504 3.122 . . . . 0.0 115.079 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.27 -28.21 66.1 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.131 -2.231 . . . . 0.0 114.736 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -73.09 -37.5 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.252 -2.155 . . . . 0.0 112.352 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.17 -42.32 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.126 2.57 . . . . 0.0 116.735 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -67.69 -47.83 68.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 17' ' ' ILE . 6.3 t -51.51 -42.89 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 168.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.82 81.38 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.726 -1.234 . . . . 0.0 111.237 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.487 ' HB3' HG11 ' B' ' 80' ' ' VAL . 15.5 p -62.45 -25.11 67.8 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' A' ' 17' ' ' ILE . 12.4 mm -62.06 -48.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 124.944 1.298 . . . . 0.0 111.619 172.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 3.2 mp -63.33 -37.94 89.24 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.344 -1.473 . . . . 0.0 113.041 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mt -64.76 -30.77 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 124.971 1.309 . . . . 0.0 113.06 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -32.04 72.93 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.394 1.478 . . . . 0.0 113.305 173.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -100.73 10.53 41.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.417 -1.427 . . . . 0.0 114.11 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t 74.05 20.02 2.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.749 1.62 . . . . 0.0 114.017 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -104.48 36.34 2.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.27 1.828 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.285 0.0 OUTLIER -56.8 -24.38 50.24 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.106 1.763 . . . . 0.0 115.591 169.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -38.46 -42.1 0.71 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.171 2.656 . . . . 0.0 118.171 160.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD23 ' B' ' 18' ' ' LEU . 35.2 mt -68.88 -42.58 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 O-C-N 120.428 -1.42 . . . . 0.0 111.06 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.45 -33.0 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 124.788 1.235 . . . . 0.0 112.052 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.8 tt0 -58.33 -18.77 29.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.909 2.884 . . . . 0.0 118.046 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -127.29 125.97 41.8 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.835 -1.79 . . . . 0.0 112.477 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -46.84 -60.88 2.14 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.147 2.579 . . . . 0.0 114.656 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.1 -15.64 60.06 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -79.17 -38.05 36.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.839 -1.163 . . . . 0.0 109.28 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.55 -53.07 62.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.232 1.013 . . . . 0.0 113.308 172.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 51' ' ' GLN . 29.5 mt -58.22 -37.8 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 127.017 2.127 . . . . 0.0 113.726 174.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.24 71.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 112.881 172.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -80.43 -35.55 34.91 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 176.44 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.78 -46.01 88.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 119.677 1.126 . . . . 0.0 112.388 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.27 -40.28 93.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -52.91 -61.81 2.06 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 119.971 1.26 . . . . 0.0 113.759 170.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.4 pt -79.94 -17.37 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -170.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.43 50.7 5.59 Favored Glycine 0 N--CA 1.43 -1.764 0 O-C-N 120.945 -1.097 . . . . 0.0 115.413 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.36 118.09 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 123.32 1.533 . . . . 0.0 107.242 159.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -101.94 158.12 16.37 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.501 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.296 7.4 t60 -79.86 -96.96 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 151.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.21 42.13 1.05 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.66 -2.525 . . . . 0.0 111.201 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.45 17.3 72.43 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 120.298 -1.501 . . . . 0.0 114.559 -162.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -114.76 158.28 22.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.728 -2.043 . . . . 0.0 107.236 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -70.54 144.9 51.16 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.818 0.818 . . . . 0.0 111.547 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.39 130.13 37.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 122.776 1.274 . . . . 0.0 110.988 -170.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.46 151.06 20.37 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.291 1.036 . . . . 0.0 109.685 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.459 ' HG2' HG21 ' B' ' 34' ' ' ILE . 65.4 mt-30 -67.96 -30.26 69.5 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.89 -50.79 26.23 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.603 -1.311 . . . . 0.0 113.318 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -68.21 -25.38 65.19 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.312 -2.118 . . . . 0.0 116.199 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.55 -54.55 21.65 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.759 -1.838 . . . . 0.0 113.547 163.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -68.11 -22.95 64.86 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.307 13.2 pttt -69.64 -48.78 58.72 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.64 -1.287 . . . . 0.0 114.297 166.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.272 30.4 pt -53.79 -49.41 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.84 2.109 . . . . 0.0 114.074 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -71.89 -35.54 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -87.8 -43.71 11.66 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.324 7.7 pt-20 -95.5 15.63 19.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.942 1.701 . . . . 0.0 115.309 -168.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -46.0 148.74 0.77 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.038 -1.664 . . . . 0.0 114.311 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 49.8 p -83.9 171.61 12.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 107.848 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.04 -36.4 69.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.756 -1.84 . . . . 0.0 110.796 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.74 -33.89 76.93 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.744 -1.848 . . . . 0.0 114.19 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.35 -34.91 76.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.123 -1.611 . . . . 0.0 114.263 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -76.14 -36.06 58.96 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.684 -1.885 . . . . 0.0 110.9 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.13 82.46 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.636 -1.29 . . . . 0.0 111.945 169.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.659 1.183 . . . . 0.0 111.797 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.25 -44.73 87.21 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.985 -1.697 . . . . 0.0 112.745 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.71 -52.06 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.596 1.558 . . . . 0.0 114.905 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -64.2 -36.01 82.68 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.998 1.319 . . . . 0.0 113.656 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.99 -16.52 24.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.587 -1.945 . . . . 0.0 114.191 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -138.29 77.1 1.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.157 -1.589 . . . . 0.0 108.269 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.37 -71.74 0.17 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.295 -2.128 . . . . 0.0 114.907 -165.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.57 -35.65 80.73 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.02 -1.05 . . . . 0.0 112.621 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLY . . . . . 0.459 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.15 -57.11 20.77 Favored Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 126.056 1.789 . . . . 0.0 113.313 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.435 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.263 2.2 t80 -74.88 -39.16 61.67 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.791 -1.099 . . . . 0.0 111.958 -177.214 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -41.16 -64.16 0.59 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.31 -54.96 26.3 Favored Glycine 0 N--CA 1.43 -1.757 0 CA-C-O 122.102 0.835 . . . . 0.0 114.152 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' B' ' 16' ' ' SER . 14.2 m -65.76 -28.76 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.945 -1.915 . . . . 0.0 114.021 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -82.99 -16.12 48.48 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.664 1.186 . . . . 0.0 112.227 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -61.38 -47.63 84.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.676 -1.89 . . . . 0.0 112.232 159.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.74 -51.46 59.08 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.892 1.277 . . . . 0.0 108.679 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.08 -31.94 71.6 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -77.34 -42.68 35.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.603 -1.31 . . . . 0.0 113.543 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 16.0 ptp -76.64 -30.78 57.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.909 -1.744 . . . . 0.0 115.165 -168.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.9 m-85 -82.11 5.61 19.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.634 -1.916 . . . . 0.0 113.618 -174.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.508 0 C-N-CA 124.92 1.288 . . . . 0.0 108.491 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 . . . . . 0 N--CA 1.429 -1.481 0 CA-C-O 120.314 0.102 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -39.62 -39.73 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 128.659 2.783 . . . . 0.0 117.161 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.433 ' HA ' HH11 ' A' ' 9' ' ' ARG . 38.9 m-20 -59.34 -50.24 74.73 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.854 2.062 . . . . 0.0 111.792 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.32 21.4 m -68.9 -30.82 69.39 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' VAL . 6.7 t -59.02 -51.31 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 118.46 -2.65 . . . . 0.0 112.215 168.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HA ' ' A' ' 6' ' ' ASP 0.371 0.1 OUTLIER -61.15 -43.52 98.75 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.694 2.398 . . . . 0.0 112.852 -173.058 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.99 -28.8 63.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.125 -2.234 . . . . 0.0 114.534 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.13 -38.21 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 118.714 -2.491 . . . . 0.0 111.405 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -46.8 -40.73 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 129.237 3.015 . . . . 0.0 115.182 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -72.73 -46.46 53.42 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.723 -0.611 . . . . 0.0 111.359 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 17' ' ' ILE . 4.1 t -52.63 -48.03 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.955 2.502 . . . . 0.0 114.778 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.26 96.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 112.755 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 p -66.21 -16.26 63.85 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 HG21 ' B' ' 17' ' ' ILE . 5.1 mm -65.7 -49.34 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 121.037 1.744 . . . . 0.0 109.705 170.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.85 -34.99 75.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.688 -1.257 . . . . 0.0 113.451 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.4 mt -80.04 -23.66 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 119.43 -2.044 . . . . 0.0 113.131 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.63 76.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.617 1.567 . . . . 0.0 109.689 169.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -100.45 3.03 42.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.531 -1.356 . . . . 0.0 114.606 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t 60.07 46.67 10.47 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -118.57 33.12 5.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.497 2.319 . . . . 0.0 111.972 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.374 0.0 OUTLIER -56.16 -16.27 4.98 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 120.468 3.507 . . . . 0.0 120.468 178.763 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -42.28 -39.07 1.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.12 -42.71 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 O-C-N 120.253 -1.529 . . . . 0.0 110.621 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.5 -41.75 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 126.82 2.048 . . . . 0.0 113.967 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.6 pt-20 -70.37 -17.19 63.04 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -112.56 118.75 35.97 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 109.33 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -35.34 -54.12 0.65 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.734 2.814 . . . . 0.0 115.67 169.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.29 17.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -51.16 -36.95 43.61 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.34 1.056 . . . . 0.0 113.823 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.15 -61.31 2.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.514 1.526 . . . . 0.0 115.106 165.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -50.91 -39.24 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 128.384 2.674 . . . . 0.0 115.386 174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.72 70.18 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.519 -1.988 . . . . 0.0 114.344 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -39.22 67.64 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.005 2.122 . . . . 0.0 110.021 173.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.95 -36.68 70.54 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -75.67 -28.22 58.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 118.943 -2.348 . . . . 0.0 114.81 168.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.5 -56.26 19.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 120.308 1.413 . . . . 0.0 110.889 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -79.93 -24.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.63 4.09 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.236 -1.54 . . . . 0.0 115.408 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.45 104.35 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 119.13 1.465 . . . . 0.0 108.701 164.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -93.07 130.4 38.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.799 -1.188 . . . . 0.0 109.216 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -64.82 -80.51 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.19 57.67 0.61 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.356 -1.465 . . . . 0.0 107.251 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.39 19.97 49.21 Favored Glycine 0 N--CA 1.429 -1.785 0 N-CA-C 119.882 2.713 . . . . 0.0 119.882 -172.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -128.62 171.92 11.7 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.22 151.51 39.94 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.733 -1.23 . . . . 0.0 111.256 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -95.19 120.92 36.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.314 1.53 . . . . 0.0 111.473 -167.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -96.16 164.3 12.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.769 -169.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -78.54 -41.87 30.95 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.972 -1.705 . . . . 0.0 112.074 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -60.99 -61.32 2.66 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 125.729 1.612 . . . . 0.0 112.583 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -69.5 -9.99 56.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.66 -45.18 76.0 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.444 -2.035 . . . . 0.0 110.091 164.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -19.4 63.66 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.746 -1.221 . . . . 0.0 112.424 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.359 30.8 pttt -65.13 -49.89 68.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.363 -2.086 . . . . 0.0 115.948 158.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.276 29.4 pt -59.1 -49.93 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-N 120.688 1.585 . . . . 0.0 114.543 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.1 m -76.22 -34.78 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.095 -1.628 . . . . 0.0 114.883 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -82.25 -52.26 7.12 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.39 8.47 38.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 119.465 -2.022 . . . . 0.0 115.375 -161.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.7 mt -43.53 147.21 0.43 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.0 p -76.3 174.04 10.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.319 -0.863 . . . . 0.0 109.472 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.4 -37.97 77.75 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.616 -1.927 . . . . 0.0 110.595 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -56.48 -48.0 78.05 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.608 1.963 . . . . 0.0 113.519 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -55.79 -37.56 68.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.49 -33.67 31.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.468 -1.395 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.27 93.96 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.513 -1.367 . . . . 0.0 112.146 171.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -61.11 -33.22 73.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 123.673 0.789 . . . . 0.0 113.074 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.7 -37.1 62.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.245 -1.534 . . . . 0.0 113.431 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.81 -41.56 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 124.815 1.246 . . . . 0.0 112.521 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -65.8 -43.68 87.95 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -87.34 -41.71 13.42 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 110.68 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -112.79 61.22 0.63 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.074 1.75 . . . . 0.0 112.649 -172.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -53.88 -72.31 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.827 -2.421 . . . . 0.0 117.309 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.65 -39.04 84.59 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.139 -1.6 . . . . 0.0 111.578 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.42 -50.82 35.48 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 124.524 1.059 . . . . 0.0 114.645 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.297 0.1 OUTLIER -69.53 -46.51 66.32 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.057 -178.051 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -51.96 -39.63 59.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.0 2.182 . . . . 0.0 116.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.65 -71.21 0.81 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 120.762 -1.211 . . . . 0.0 116.051 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -64.52 -23.67 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.69 -2.065 . . . . 0.0 114.606 -176.179 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -76.1 -17.52 59.57 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.522 -1.986 . . . . 0.0 114.935 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.215 -2.178 . . . . 0.0 110.415 163.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -69.4 -53.48 19.18 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.801 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.04 -56.51 19.89 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.7 -1.25 . . . . 0.0 111.483 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.36 -33.34 53.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.269 11.2 ptp -84.66 -32.57 23.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 112.816 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-85 -83.21 -2.86 56.6 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.624 -1.922 . . . . 0.0 111.818 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.312 1.6 t . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 123.025 1.393 . . . . 0.0 107.764 166.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 . . . . . 0 N--CA 1.43 -1.453 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -39.95 -49.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.742 2.417 . . . . 0.0 114.858 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.12 -40.27 68.26 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.577 1.151 . . . . 0.0 113.015 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . 0.263 31.0 m -68.19 -42.08 80.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.027 -2.296 . . . . 0.0 113.704 171.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 t -49.78 -33.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.691 -2.506 . . . . 0.0 114.298 163.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -71.91 -47.14 54.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.009 1.323 . . . . 0.0 113.109 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.89 -33.99 71.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 121.062 -1.024 . . . . 0.0 113.066 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.85 -25.71 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.526 -2.609 . . . . 0.0 113.88 168.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.45 -47.81 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.433 -2.042 . . . . 0.0 112.63 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -65.91 -45.49 81.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.783 -1.198 . . . . 0.0 112.234 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 17' ' ' ILE . 2.9 t -53.02 -46.76 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.602 1.961 . . . . 0.0 114.301 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.5 70.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.295 -2.128 . . . . 0.0 114.096 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.1 p -62.88 -29.48 70.79 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 171.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 14' ' ' VAL . 8.9 mm -55.49 -53.18 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.296 1.438 . . . . 0.0 110.936 167.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.07 -41.39 83.29 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.81 -34.54 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.414 1.485 . . . . 0.0 114.492 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.51 75.06 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.802 -1.811 . . . . 0.0 113.323 167.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -85.74 -3.76 58.98 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.487 -1.383 . . . . 0.0 113.742 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t 55.44 48.67 18.44 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.244 2.683 . . . . 0.0 118.244 -171.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -114.48 54.57 0.76 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.678 1.991 . . . . 0.0 111.215 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -73.72 -4.85 37.0 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.228 -2.17 . . . . 0.0 116.569 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.44 -32.81 28.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.945 2.098 . . . . 0.0 115.185 167.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.68 -39.95 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 125.075 1.35 . . . . 0.0 110.218 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -68.79 -45.98 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.388 0 C-N-CA 127.434 2.294 . . . . 0.0 112.263 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -58.85 -25.59 63.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -175.246 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -112.89 107.1 15.56 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -43.21 -31.61 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.75 -38.17 18.52 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.619 2.463 . . . . 0.0 111.921 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -63.14 -33.46 75.51 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.055 -1.653 . . . . 0.0 111.796 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.69 -54.61 32.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.101 2.16 . . . . 0.0 112.665 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' B' ' 54' ' ' PHE . 33.6 mt -52.83 -41.98 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.608 2.363 . . . . 0.0 111.869 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.46 81.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 112.982 -3.487 . . . . 0.0 114.172 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.05 -41.62 62.47 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 128.022 2.529 . . . . 0.0 113.936 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.29 -45.95 69.13 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.714 -2.491 . . . . 0.0 114.325 169.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -73.4 -12.5 60.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.897 1.679 . . . . 0.0 115.059 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.62 -58.1 3.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.638 1.175 . . . . 0.0 112.022 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -88.07 -12.12 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.855 -1.153 . . . . 0.0 110.631 -166.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.93 36.23 4.81 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.688 -1.257 . . . . 0.0 116.171 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.254 1.9 t -74.86 90.67 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.817 1.294 . . . . 0.0 110.319 166.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.4 p -109.62 116.69 32.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.988 1.715 . . . . 0.0 108.645 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -64.97 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -165.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.17 57.38 0.66 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.485 -1.384 . . . . 0.0 107.268 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.16 -8.04 68.96 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 124.265 0.936 . . . . 0.0 114.805 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -114.73 156.1 25.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.954 -1.321 . . . . 0.0 110.719 -166.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -59.31 128.63 38.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.996 1.318 . . . . 0.0 111.563 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.04 130.13 34.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.759 1.266 . . . . 0.0 110.146 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -95.59 155.36 16.77 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.416 1.087 . . . . 0.0 109.676 -165.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -63.4 -40.6 97.64 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.967 -1.708 . . . . 0.0 112.917 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -67.9 -46.53 71.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.669 -1.269 . . . . 0.0 113.172 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -75.68 -14.49 60.35 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.403 -1.436 . . . . 0.0 113.327 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CD2' HD11 ' B' ' 34' ' ' ILE . 72.5 t80 -71.58 -49.02 44.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.365 1.555 . . . . 0.0 109.166 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -25.26 60.48 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.759 -172.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 3.7 pttp -65.25 -61.87 1.88 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 116.556 -1.688 . . . . 0.0 113.804 160.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 34.7 pt -45.03 -45.07 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.41 -41.26 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -42.62 19.96 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.98 12.77 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.19 146.09 53.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.655 -1.903 . . . . 0.0 111.492 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 60.5 p -86.5 171.0 11.42 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.871 -1.143 . . . . 0.0 110.835 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.23 -50.53 72.58 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.128 0.971 . . . . 0.0 111.67 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.16 -38.17 79.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -63.29 -41.21 98.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.26 1.029 . . . . 0.0 113.148 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -77.89 -42.61 32.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.722 1.209 . . . . 0.0 109.835 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.84 -31.81 70.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.167 0.987 . . . . 0.0 112.787 170.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.9 m -61.96 -41.17 97.7 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 112.513 172.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.2 mt -73.41 -37.0 66.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.475 -1.391 . . . . 0.0 112.814 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.0 mt -49.3 -45.13 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.962 1.705 . . . . 0.0 113.688 167.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.93 -37.49 81.72 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.75 -40.45 9.36 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.117 -1.615 . . . . 0.0 113.535 -168.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.35 60.24 0.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 121.034 -1.041 . . . . 0.0 110.453 -167.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -41.96 -71.89 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -42.59 93.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 122.413 1.101 . . . . 0.0 113.723 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.46 -54.77 4.53 Favored Glycine 0 N--CA 1.431 -1.675 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.288 -161.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.278 0.2 OUTLIER -73.06 -36.84 66.96 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.191 -173.681 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -43.62 -57.38 3.19 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.546 1.976 . . . . 0.0 115.482 166.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -62.25 5.77 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 120.438 -1.414 . . . . 0.0 115.582 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.5 -20.93 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 118.1 -3.0 . . . . 0.0 112.941 -165.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -83.01 -16.42 47.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.568 -1.957 . . . . 0.0 112.795 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -62.93 -44.29 96.49 Favored 'General case' 0 N--CA 1.431 -1.388 0 O-C-N 118.864 -2.398 . . . . 0.0 112.174 158.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -69.78 -51.32 34.9 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.483 1.513 . . . . 0.0 108.594 -168.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.6 -28.18 69.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.843 -1.786 . . . . 0.0 112.9 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.05 -37.19 34.49 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.352 -2.093 . . . . 0.0 110.455 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 10.8 ptp -80.39 -11.92 59.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.422 -1.424 . . . . 0.0 113.32 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.0 m-85 -97.98 1.36 47.81 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.715 -1.241 . . . . 0.0 110.399 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.39 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.496 0 O-C-N 120.619 -1.301 . . . . 0.0 111.614 173.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.43 -1.465 0 CA-C-O 121.956 0.884 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 10.8 tt -38.03 -51.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.199 2.6 . . . . 0.0 117.469 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 56.2 m-20 -57.2 -27.76 62.26 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.89 2.476 . . . . 0.0 113.742 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.5 m -94.63 -27.37 15.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.986 -1.696 . . . . 0.0 109.237 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -64.2 -43.12 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 118.583 -2.573 . . . . 0.0 111.012 171.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -53.8 -53.06 57.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.835 3.654 . . . . 0.0 114.856 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' B' ' 9' ' ' ARG . 7.1 pt-20 -68.21 -35.22 77.63 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.7 -29.93 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 124.69 1.196 . . . . 0.0 109.952 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.27 -58.48 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 127.57 2.348 . . . . 0.0 111.853 167.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 1.1 p -52.93 -49.17 66.52 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG13 HD11 ' B' ' 17' ' ' ILE . 14.8 t -51.48 -48.68 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 168.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.947 1.356 . . . . 0.0 109.333 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.252 10.2 p -67.72 -22.26 65.25 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.504 HG21 HG21 ' B' ' 17' ' ' ILE . 25.9 mm -61.31 -45.11 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 122.477 2.399 . . . . 0.0 111.142 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -32.02 73.29 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.972 -1.705 . . . . 0.0 113.075 176.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.262 86.0 mt -80.36 -36.3 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.056 -1.652 . . . . 0.0 110.967 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG3' HG22 ' B' ' 40' ' ' ILE . 6.6 tmtm? -50.69 -51.81 46.04 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.546 3.138 . . . . 0.0 113.738 168.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.56 -33.58 69.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.43 1.3 t 93.85 32.29 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.808 2.043 . . . . 0.0 114.805 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.89 42.14 1.41 Allowed 'General case' 0 N--CA 1.431 -1.403 1 C-N-CA 131.877 4.071 . . . . 0.0 112.507 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.331 0.0 OUTLIER -60.28 -23.98 64.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 173.345 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -46.61 -25.0 0.62 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.65 -41.26 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 CA-C-N 121.651 2.023 . . . . 0.0 113.434 167.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -68.54 -22.64 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.865 2.466 . . . . 0.0 112.686 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.58 -10.61 59.59 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -129.55 125.27 35.87 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.2 -1.563 . . . . 0.0 111.283 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -48.33 -57.57 5.82 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 128.222 2.609 . . . . 0.0 113.694 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.46 -15.26 62.32 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.91 -36.57 23.24 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.997 -1.689 . . . . 0.0 107.034 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.43 -48.73 76.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.015 1.726 . . . . 0.0 112.585 173.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 51' ' ' GLN . 31.9 mt -57.07 -42.83 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.493 -2.629 . . . . 0.0 114.836 172.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 39' ' ' GLU . . . -60.73 -31.31 70.62 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.345 -1.472 . . . . 0.0 114.712 170.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.255 5.7 t80 -72.71 -40.51 66.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.431 1.493 . . . . 0.0 111.241 173.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.26 -48.08 82.97 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.533 -1.98 . . . . 0.0 114.431 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -57.84 -48.92 78.37 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.559 -1.963 . . . . 0.0 114.246 170.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 2.2 tp10 -52.93 -55.29 24.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 175.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -79.06 -16.81 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 119.688 -1.883 . . . . 0.0 113.843 -178.01 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.85 45.96 4.37 Favored Glycine 0 N--CA 1.43 -1.713 0 N-CA-C 116.026 1.17 . . . . 0.0 116.026 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -90.45 107.14 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 165.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -106.4 127.57 53.38 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.7 -79.91 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -171.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.52 46.67 1.02 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.313 -1.492 . . . . 0.0 108.359 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.13 19.82 17.92 Favored Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 117.954 1.942 . . . . 0.0 117.954 -163.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -127.76 168.65 14.82 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.58 153.47 31.91 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.386 -1.446 . . . . 0.0 113.742 -172.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.3 115.69 28.54 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-O 123.593 1.663 . . . . 0.0 109.166 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -100.3 177.07 5.16 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.837 1.255 . . . . 0.0 111.881 -168.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 34' ' ' ILE . 3.1 mt-30 -77.15 -38.74 51.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.798 -1.814 . . . . 0.0 112.611 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -71.28 -47.52 56.41 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.056 0.942 . . . . 0.0 113.105 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.78 -23.41 63.34 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.799 -1.813 . . . . 0.0 115.149 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.42 -52.24 66.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 125.366 2.508 . . . . 0.0 112.73 165.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -64.66 -28.55 69.68 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.893 -1.755 . . . . 0.0 114.22 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.289 12.8 ptpt -62.19 -47.48 84.27 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.141 -2.224 . . . . 0.0 115.284 162.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.304 30.7 pt -60.2 -48.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.536 -1.977 . . . . 0.0 113.46 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.92 -41.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.9 m -86.66 -39.75 15.77 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.265 3.6 pt-20 -83.97 9.5 12.17 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 121.861 2.119 . . . . 0.0 114.435 -171.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.77 145.2 12.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.408 -1.432 . . . . 0.0 112.109 175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -82.87 164.86 20.24 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.09 -39.2 81.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.337 -2.727 . . . . 0.0 114.936 172.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.69 -25.57 65.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.47 -30.42 67.23 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.086 -1.634 . . . . 0.0 111.84 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -81.65 -48.16 12.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.351 -1.468 . . . . 0.0 108.39 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -48.33 -39.7 22.81 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 121.433 1.924 . . . . 0.0 115.994 164.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 m -60.85 -38.5 85.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.33 -40.26 89.78 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.582 -1.324 . . . . 0.0 112.321 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.25 -31.94 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 126.643 1.977 . . . . 0.0 114.259 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.91 -43.7 95.18 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.394 -2.066 . . . . 0.0 113.111 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.06 -29.25 17.44 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.28 76.85 1.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 104.256 -2.498 . . . . 0.0 104.256 -167.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -69.94 -67.99 0.45 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.414 -1.429 . . . . 0.0 110.342 -166.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.5 -46.9 87.48 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.977 1.711 . . . . 0.0 114.228 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.435 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -52.72 -60.76 7.51 Favored Glycine 0 N--CA 1.43 -1.7 0 C-N-CA 125.844 1.688 . . . . 0.0 115.292 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.254 0.7 OUTLIER -77.3 -27.84 53.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.726 -1.455 . . . . 0.0 109.982 -168.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.24 -60.12 3.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 122.748 2.522 . . . . 0.0 112.323 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -65.91 2.98 Favored Glycine 0 N--CA 1.43 -1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 114.314 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 76' ' ' GLY 0.251 33.5 m -70.34 -18.84 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.982 -2.481 . . . . 0.0 115.89 -168.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -86.57 -10.66 53.5 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.849 -1.782 . . . . 0.0 113.395 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -66.34 -42.35 88.25 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.808 -2.433 . . . . 0.0 111.13 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -72.87 -48.21 39.42 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.811 2.045 . . . . 0.0 110.998 -173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.058 -2.901 . . . . 0.0 114.03 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -71.86 -63.3 1.16 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.651 -1.281 . . . . 0.0 110.091 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.337 6.3 ptp -37.49 -40.66 0.39 Allowed 'General case' 0 N--CA 1.43 -1.465 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 173.118 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.84 7.49 23.75 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.226 0.921 . . . . 0.0 112.516 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.278 1.3 t . . . . . 0 N--CA 1.431 -1.395 0 CA-C-O 123.841 1.781 . . . . 0.0 109.482 171.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ASN . . . . . 0.485 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.2 m-20 . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -69.69 -45.24 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.483 1.913 . . . . 0.0 111.717 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.28 -33.4 69.39 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.246 1.818 . . . . 0.0 111.573 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.4 m -76.84 -49.04 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 112.599 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.8 t -48.78 -37.8 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.704 -1.873 . . . . 0.0 113.862 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 10' ' ' GLU . 52.5 ttt-85 -64.38 -59.54 4.24 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 130.54 3.536 . . . . 0.0 110.58 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.63 -31.13 72.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -71.72 -28.38 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 118.257 -2.777 . . . . 0.0 113.886 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.487 HG23 HG21 ' B' ' 80' ' ' VAL . 3.9 mt -54.29 -55.28 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.553 2.341 . . . . 0.0 113.231 173.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -64.28 -29.24 70.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -72.74 -36.77 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.943 -1.723 . . . . 0.0 111.867 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.75 60.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.419 -2.676 . . . . 0.0 113.356 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 80.3 p -58.58 -30.97 67.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.353 -2.092 . . . . 0.0 115.924 168.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.594 HD11 HG13 ' A' ' 14' ' ' VAL . 1.5 mm -54.71 -48.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.436 1.494 . . . . 0.0 112.485 166.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.74 -46.34 81.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.613 -1.304 . . . . 0.0 112.955 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.14 -35.36 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 119.59 -1.944 . . . . 0.0 115.239 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -39.53 31.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.648 1.567 . . . . 0.0 114.961 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -89.61 2.42 54.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.784 1.234 . . . . 0.0 113.386 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.5 t 58.68 38.36 25.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.498 2.319 . . . . 0.0 114.787 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -102.33 47.72 0.89 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.74 1.616 . . . . 0.0 110.331 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.392 0.0 OUTLIER -67.73 -16.33 64.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 176.719 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.42 -31.38 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 123.954 1.835 . . . . 0.0 110.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -77.03 -40.99 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.362 1.865 . . . . 0.0 112.457 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.67 -19.29 57.97 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -109.78 117.22 33.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -33.6 -54.28 0.44 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.677 3.191 . . . . 0.0 112.488 164.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.37 63.88 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -79.31 -24.2 43.0 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.321 -2.112 . . . . 0.0 111.13 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -69.09 -52.34 29.43 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.636 1.974 . . . . 0.0 111.844 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mt -57.24 -39.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.49 2.716 . . . . 0.0 112.812 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.23 -50.52 69.93 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.336 1.065 . . . . 0.0 109.545 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 25.9 t80 -52.63 -39.55 61.86 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 166.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.42 -39.09 92.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.256 -1.527 . . . . 0.0 112.79 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -76.52 -16.8 59.54 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 119.531 -1.98 . . . . 0.0 112.738 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.94 -61.97 1.62 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.739 1.616 . . . . 0.0 113.363 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -88.13 -12.64 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-O 123.083 1.42 . . . . 0.0 111.395 -171.555 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.16 46.71 6.87 Favored Glycine 0 N--CA 1.429 -1.791 0 CA-C-O 116.789 -2.117 . . . . 0.0 116.094 172.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.36 130.68 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 123.457 3.629 . . . . 0.0 105.965 164.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -128.78 157.42 41.5 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.875 1.321 . . . . 0.0 110.664 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.82 -72.84 0.4 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.781 -1.2 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -104.89 33.62 3.54 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.64 -1.913 . . . . 0.0 111.94 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.1 5.11 64.87 Favored Glycine 0 N--CA 1.43 -1.746 0 O-C-N 119.934 -1.728 . . . . 0.0 115.212 -170.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -105.89 163.2 12.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 117.998 0.899 . . . . 0.0 108.945 -171.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.55 117.09 8.26 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.74 124.61 27.56 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.903 1.335 . . . . 0.0 110.567 -163.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -87.92 162.42 16.91 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.94 -1.1 . . . . 0.0 112.693 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.05 -40.96 78.23 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.87 -1.769 . . . . 0.0 112.66 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -67.97 -43.81 78.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.117 1.767 . . . . 0.0 112.178 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.6 m -72.73 -27.34 61.98 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.0 -1.688 . . . . 0.0 113.791 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.17 -49.5 69.55 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.041 1.401 . . . . 0.0 110.35 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -68.84 -29.55 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.767 -1.208 . . . . 0.0 113.27 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.327 10.3 ptpt -60.93 -56.54 19.88 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 164.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.324 26.0 pt -50.0 -46.08 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.68 -43.88 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -77.18 -50.98 11.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.281 4.8 pt-20 -81.59 13.44 3.1 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -169.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.452 HD11 HG21 ' B' ' 8' ' ' VAL . 38.8 mt -54.99 148.29 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 112.703 168.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -89.01 172.05 9.41 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.186 -1.571 . . . . 0.0 109.67 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.26 -45.93 76.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.572 -1.33 . . . . 0.0 113.111 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -61.7 -38.02 86.31 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.479 1.912 . . . . 0.0 114.123 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -63.41 -42.22 98.74 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.412 1.101 . . . . 0.0 112.994 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -73.87 -37.96 64.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.456 -1.402 . . . . 0.0 112.101 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.62 -37.39 75.78 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.531 0.733 . . . . 0.0 112.072 166.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -65.19 -37.74 88.28 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.164 -0.96 . . . . 0.0 112.665 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.62 -55.95 19.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.313 -1.492 . . . . 0.0 113.068 168.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.99 -46.13 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.478 1.911 . . . . 0.0 115.206 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.95 -36.33 81.1 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.362 -1.461 . . . . 0.0 114.894 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -103.93 -37.03 7.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.797 -1.814 . . . . 0.0 112.671 -168.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -113.07 70.11 0.71 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.536 1.534 . . . . 0.0 108.386 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -54.25 -66.93 0.31 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.494 1.517 . . . . 0.0 111.902 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.91 -47.48 65.68 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.45 1.5 . . . . 0.0 113.637 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.79 28.09 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 120.618 3.007 . . . . 0.0 120.618 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.251 0.1 OUTLIER -74.05 -33.05 63.57 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.92 1.86 . . . . 0.0 109.391 -172.195 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -55.03 -49.54 71.31 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.899 -1.751 . . . . 0.0 113.755 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.96 -70.09 1.09 Allowed Glycine 0 N--CA 1.43 -1.735 0 N-CA-C 114.982 0.753 . . . . 0.0 114.982 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.487 HG21 HG23 ' B' ' 12' ' ' ILE . 30.2 m -65.99 -21.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.5 -2.176 . . . . 0.0 115.534 -171.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -79.44 -19.17 50.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 120.298 1.408 . . . . 0.0 112.599 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.06 -44.27 96.27 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.873 -2.392 . . . . 0.0 111.18 162.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -65.03 -61.44 2.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 128.078 2.551 . . . . 0.0 109.374 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.77 -26.23 57.13 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.51 -1.994 . . . . 0.0 115.42 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -82.72 -36.52 25.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.424 -1.423 . . . . 0.0 109.926 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 9.9 ptp -80.63 -26.07 37.96 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -86.72 -8.37 57.47 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.878 -1.139 . . . . 0.0 112.283 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.316 14.6 t . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 122.768 1.27 . . . . 0.0 111.779 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.431 -1.393 0 CA-C-O 121.734 0.778 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 tt -41.36 -45.22 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -58.99 -53.36 59.28 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.37 1.868 . . . . 0.0 112.065 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -66.14 -32.7 74.3 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.382 -1.449 . . . . 0.0 114.363 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.39 -43.95 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.11 -2.869 . . . . 0.0 113.268 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.272 55.3 ttt180 -51.99 -58.02 7.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.992 2.917 . . . . 0.0 114.413 174.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.655 -1.278 . . . . 0.0 113.837 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.7 -39.69 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.111 -1.618 . . . . 0.0 111.226 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.8 mt -53.47 -40.08 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 127.262 2.225 . . . . 0.0 116.079 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 p -71.82 -41.02 68.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.957 -1.09 . . . . 0.0 111.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -58.31 -43.52 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.235 1.814 . . . . 0.0 114.999 168.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.99 95.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.07 -1.644 . . . . 0.0 112.043 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 p -70.83 -10.92 60.54 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 172.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 17' ' ' ILE . 34.0 mm -63.79 -51.27 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 120.179 1.354 . . . . 0.0 110.104 164.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 26' ' ' ILE . 3.1 mp -63.45 -33.35 75.36 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.601 -1.312 . . . . 0.0 112.344 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mt -77.44 -26.04 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.191 -1.568 . . . . 0.0 112.518 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.3 -44.98 96.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.747 -1.846 . . . . 0.0 113.369 164.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -87.53 -2.06 58.36 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.902 -1.749 . . . . 0.0 113.944 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t 64.8 41.82 4.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.461 1.904 . . . . 0.0 114.733 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -111.76 36.93 3.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.285 2.234 . . . . 0.0 110.735 174.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.388 0.0 OUTLIER -55.53 -24.26 31.0 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 176.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -33.78 -51.16 0.38 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 128.808 2.843 . . . . 0.0 117.274 163.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 18' ' ' LEU . 4.2 mt -66.82 -36.83 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.18 1.392 . . . . 0.0 112.203 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.45 -36.7 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.855 1.662 . . . . 0.0 113.264 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.263 1.6 pt-20 -67.2 -19.58 65.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 120.5 3.519 . . . . 0.0 120.5 -163.545 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -114.55 127.92 56.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.752 -1.843 . . . . 0.0 110.779 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -33.95 -61.95 0.33 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.738 3.215 . . . . 0.0 113.786 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.48 34.49 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -48.91 -38.26 22.19 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.96 -51.26 65.18 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.389 1.475 . . . . 0.0 114.941 170.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -51.07 -41.29 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 128.025 2.53 . . . . 0.0 114.822 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.25 93.89 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.736 -1.227 . . . . 0.0 113.112 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.0 -41.57 99.62 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.068 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.47 -44.45 76.48 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.163 -1.585 . . . . 0.0 114.564 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.39 -18.73 61.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.687 -1.883 . . . . 0.0 116.077 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -72.44 -50.52 25.66 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.312 -1.492 . . . . 0.0 109.911 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -7.56 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.771 -1.205 . . . . 0.0 113.282 -176.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.05 43.19 7.23 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 116.772 1.469 . . . . 0.0 116.772 173.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.02 123.87 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 119.302 1.551 . . . . 0.0 108.493 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -107.32 156.83 18.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.132 1.373 . . . . 0.0 109.713 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.403 ' CD2' ' CD ' ' A' ' 45' ' ' GLU 0.339 4.1 t60 -73.87 -108.83 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 121.403 -0.81 . . . . 0.0 113.179 155.196 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CD ' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mp0 -93.02 54.11 2.1 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 118.42 -2.675 . . . . 0.0 110.968 -178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.06 22.74 73.33 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -129.17 156.71 43.49 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 169.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -81.21 153.45 27.18 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.093 -1.004 . . . . 0.0 109.922 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.48 128.38 44.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 123.045 1.402 . . . . 0.0 112.507 -144.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.26 157.67 17.02 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.159 -1.588 . . . . 0.0 112.21 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.02 -41.94 90.3 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.845 -1.784 . . . . 0.0 114.298 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -70.6 -45.57 65.04 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.154 1.382 . . . . 0.0 111.802 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -73.64 -18.65 61.01 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.42 -46.12 91.18 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 124.605 2.145 . . . . 0.0 111.042 163.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.46 -32.23 73.46 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.314 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.271 12.0 ptpt -65.47 -42.82 91.84 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.067 -1.645 . . . . 0.0 114.638 168.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 25.5 pt -62.15 -47.9 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.662 -1.274 . . . . 0.0 112.52 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.0 -38.04 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -78.88 -55.43 5.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.02 13.27 13.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.57 152.85 0.19 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.654 1.982 . . . . 0.0 115.225 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -82.98 174.28 11.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.72 -1.863 . . . . 0.0 109.354 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -70.79 -38.7 73.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.661 -1.899 . . . . 0.0 110.559 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.159 -2.213 . . . . 0.0 114.968 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -67.56 -30.07 69.61 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.601 1.191 . . . . 0.0 114.191 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.64 -38.54 47.6 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.35 -28.14 62.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.155 -1.591 . . . . 0.0 112.586 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.4 m -61.55 -40.97 96.6 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.844 -1.16 . . . . 0.0 113.287 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.07 -34.51 71.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.686 -1.259 . . . . 0.0 113.385 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.62 -36.8 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 112.423 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.49 -34.86 78.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.818 -2.426 . . . . 0.0 114.828 172.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -88.85 -25.42 22.18 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.424 -1.423 . . . . 0.0 114.125 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -146.93 70.08 1.19 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 119.626 -1.921 . . . . 0.0 106.757 -171.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -51.99 -71.68 0.06 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -167.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -33.2 62.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.047 1.339 . . . . 0.0 112.067 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -46.84 76.51 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 124.651 1.119 . . . . 0.0 114.455 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.387 0.2 OUTLIER -71.0 -45.11 64.55 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 119.523 1.662 . . . . 0.0 111.161 178.807 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -43.42 -52.47 5.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.701 2.046 . . . . 0.0 115.982 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.32 -60.33 6.43 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.974 -1.079 . . . . 0.0 114.839 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.2 m -69.12 -20.37 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 119.568 -2.137 . . . . 0.0 113.737 -171.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -80.78 -24.74 38.4 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.206 -1.559 . . . . 0.0 112.961 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.25 8.1 mmt-85 -62.84 -38.51 91.07 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.632 -1.918 . . . . 0.0 111.968 167.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.77 -59.88 4.5 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.729 1.612 . . . . 0.0 107.314 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.98 -29.94 65.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.77 -39.52 73.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.576 1.08 . . . . 0.0 112.506 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 ptp -85.81 -17.43 35.75 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.693 -1.254 . . . . 0.0 112.378 -165.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.6 m-30 -88.38 -5.37 58.33 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.232 2.213 . . . . 0.0 112.666 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.455 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ASN . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 86.0 m-20 . . . . . 0 N--CA 1.43 -1.471 0 CA-C-O 122.239 1.018 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -54.74 -47.11 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 128.928 2.891 . . . . 0.0 113.904 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -62.06 -34.67 76.7 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.862 1.665 . . . . 0.0 112.637 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -74.08 -44.95 52.21 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 120.732 -1.23 . . . . 0.0 112.07 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' ASN . 5.5 t -53.1 -41.7 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.933 -2.354 . . . . 0.0 112.913 170.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -59.72 -53.57 56.41 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.036 2.134 . . . . 0.0 114.594 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.54 -37.17 86.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.88 -32.36 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.94 -1.725 . . . . 0.0 113.337 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.69 -54.12 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.006 2.122 . . . . 0.0 111.561 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -65.2 -31.88 73.27 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.477 1.511 . . . . 0.0 114.941 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 17' ' ' ILE . 2.1 t -65.86 -40.51 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 CA-C-O 122.379 1.085 . . . . 0.0 113.068 169.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.65 53.2 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 119.209 -2.182 . . . . 0.0 112.551 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 92.5 p -64.66 -27.68 69.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 119.7 -1.875 . . . . 0.0 114.355 170.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.528 HD11 HG13 ' A' ' 14' ' ' VAL . 1.2 mm -57.68 -46.94 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.254 1.022 . . . . 0.0 113.275 167.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.15 -40.52 81.58 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.192 -0.942 . . . . 0.0 111.991 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.4 -35.81 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.188 -1.57 . . . . 0.0 114.794 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -40.96 59.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.028 1.74 . . . . 0.0 113.549 168.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -90.67 7.95 36.84 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.4 t 52.88 41.97 31.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.504 2.322 . . . . 0.0 114.81 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -108.0 49.59 0.8 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.828 1.651 . . . . 0.0 109.748 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -70.94 -15.28 62.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.654 -1.904 . . . . 0.0 114.84 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.22 -33.75 54.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 167.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.72 -29.0 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.786 -1.196 . . . . 0.0 110.983 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.12 -41.81 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.548 1.539 . . . . 0.0 111.843 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.2 -2.44 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 130.695 3.598 . . . . 0.0 119.778 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.52 133.49 36.55 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.415 -2.053 . . . . 0.0 109.579 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -42.01 -63.48 0.73 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.316 2.646 . . . . 0.0 113.635 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.95 63.25 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -58.77 -25.6 63.22 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.86 -54.47 22.02 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.405 HG21 ' HG2' ' B' ' 51' ' ' GLN . 30.7 mt -54.14 -38.89 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.313 3.445 . . . . 0.0 113.947 171.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.41 72.76 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.773 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.292 2.9 t80 -60.2 -36.68 78.2 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 171.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.41 -43.88 84.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.54 -1.975 . . . . 0.0 112.266 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -80.27 -9.29 59.73 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.292 -1.505 . . . . 0.0 114.602 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.56 -63.24 1.11 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.866 0.841 . . . . 0.0 109.925 164.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 pt -83.18 -22.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.757 -1.214 . . . . 0.0 114.19 -166.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.04 31.87 6.73 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 120.575 -1.328 . . . . 0.0 116.09 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.275 2.3 t -69.44 121.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 117.908 0.854 . . . . 0.0 111.568 167.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.9 p -109.11 154.2 22.63 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.853 -172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -73.26 -83.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.817 -1.177 . . . . 0.0 112.909 161.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.46 52.08 0.72 Allowed 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.747 -1.221 . . . . 0.0 111.735 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 16.25 76.05 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.758 -1.214 . . . . 0.0 115.142 -175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -134.57 155.23 50.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.931 1.692 . . . . 0.0 107.29 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -73.45 148.76 42.93 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.956 -1.715 . . . . 0.0 114.218 -169.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.86 124.64 40.89 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 122.602 1.192 . . . . 0.0 113.949 -162.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.64 157.07 16.68 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.054 1.742 . . . . 0.0 111.937 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 34' ' ' ILE . 86.6 mt-30 -67.73 -44.8 76.72 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.753 -1.842 . . . . 0.0 115.736 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -72.87 -32.16 65.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.977 -1.702 . . . . 0.0 112.777 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 26.0 m -81.68 -20.56 39.28 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.728 1.611 . . . . 0.0 113.959 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -64.45 -46.16 84.31 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 123.635 1.683 . . . . 0.0 109.617 165.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.17 -34.37 77.39 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.56 -1.337 . . . . 0.0 112.337 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.344 12.9 ptpt -58.95 -52.35 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.313 43.0 pt -54.11 -38.2 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -89.31 -41.66 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -70.53 -56.78 5.74 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.655 -1.903 . . . . 0.0 113.406 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.34 15.2 pt-20 -86.63 12.21 11.12 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.091 1.885 . . . . 0.0 116.091 -168.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.4 mt -49.3 138.15 13.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.797 -1.19 . . . . 0.0 112.491 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 46.9 p -77.92 168.27 20.17 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.965 -1.709 . . . . 0.0 110.772 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.32 -42.19 95.1 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.162 -1.586 . . . . 0.0 111.774 173.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.33 -26.65 64.81 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.79 -39.27 76.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.456 -2.028 . . . . 0.0 111.803 169.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.7 -42.28 51.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.745 -1.847 . . . . 0.0 110.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -56.25 -35.08 67.0 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.234 1.014 . . . . 0.0 113.478 166.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.6 m -59.41 -45.12 92.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 118.915 0.779 . . . . 0.0 112.879 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.2 mt -66.74 -45.93 77.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.31 1.044 . . . . 0.0 112.527 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -50.18 -44.18 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.575 2.35 . . . . 0.0 113.781 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -61.0 -40.88 95.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.297 -1.502 . . . . 0.0 114.677 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -99.81 -29.46 12.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -166.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.26 75.3 0.92 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.219 -1.551 . . . . 0.0 109.722 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -60.51 -73.42 0.09 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -169.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.52 -35.42 73.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.673 -1.267 . . . . 0.0 112.351 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.58 -58.33 4.22 Favored Glycine 0 N--CA 1.43 -1.724 0 C-N-CA 124.692 1.139 . . . . 0.0 110.44 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.343 1.0 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.051 1.926 . . . . 0.0 111.419 -172.047 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.94 -54.13 13.74 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 122.767 2.53 . . . . 0.0 114.845 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.75 -58.85 9.75 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.899 -1.125 . . . . 0.0 115.424 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.26 -20.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.512 -2.758 . . . . 0.0 113.739 -169.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -72.93 -22.68 60.69 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.14 -2.225 . . . . 0.0 113.163 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -61.7 -48.16 82.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 115.95 -2.3 . . . . 0.0 112.526 162.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -65.52 -52.3 53.66 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.675 1.59 . . . . 0.0 110.817 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.99 -35.26 74.63 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.509 -1.995 . . . . 0.0 113.911 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.89 -37.91 58.35 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 118.955 -2.341 . . . . 0.0 111.632 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.3 ptp -80.38 -19.05 47.21 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 122.786 1.279 . . . . 0.0 114.406 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -85.21 -13.92 48.45 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.167 -1.583 . . . . 0.0 110.78 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 171.111 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 N--CA 1.43 -1.453 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -41.45 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.228 2.611 . . . . 0.0 113.328 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -66.07 -36.27 82.74 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.893 1.277 . . . . 0.0 113.701 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.9 m -74.71 -45.79 41.87 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.975 -1.703 . . . . 0.0 111.019 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -48.49 -36.5 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.139 1.776 . . . . 0.0 114.848 168.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -60.18 -60.1 4.36 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.027 2.131 . . . . 0.0 112.348 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.96 -30.63 71.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG12 HG11 ' A' ' 42' ' ' VAL . 55.3 mt -73.8 -29.92 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.942 -2.349 . . . . 0.0 113.12 173.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -56.61 -56.76 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.12 -2.238 . . . . 0.0 113.542 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.476 HG21 HG22 ' B' ' 42' ' ' VAL . 7.4 p -54.58 -46.47 73.75 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.99 1.716 . . . . 0.0 113.513 175.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.62 -38.16 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 125.791 1.636 . . . . 0.0 113.093 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.16 60.08 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 117.771 -3.081 . . . . 0.0 113.038 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 p -59.76 -30.9 69.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -52.8 -48.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.836 1.654 . . . . 0.0 113.622 165.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.59 -46.47 80.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.96 -37.51 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.032 -2.292 . . . . 0.0 114.833 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -45.9 39.32 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.137 1.775 . . . . 0.0 113.711 166.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -84.74 8.8 15.85 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t 61.5 31.44 18.97 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 126.932 2.093 . . . . 0.0 114.482 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -110.91 51.51 0.77 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.624 1.57 . . . . 0.0 110.092 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -1.9 38.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.902 -1.749 . . . . 0.0 113.295 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -55.51 -40.18 71.45 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.062 2.545 . . . . 0.0 114.298 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.72 -37.45 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.007 1.723 . . . . 0.0 110.516 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.43 -35.89 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 126.111 1.764 . . . . 0.0 111.752 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.4 tt0 -57.55 1.94 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.23 147.78 29.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.637 -2.539 . . . . 0.0 108.977 168.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -55.49 15.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.886 1.675 . . . . 0.0 114.103 171.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.21 -52.92 56.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -166.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -50.64 -32.97 20.56 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.741 2.016 . . . . 0.0 115.314 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.85 -44.26 32.97 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 124.975 1.31 . . . . 0.0 111.986 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.96 -39.38 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 128.23 2.612 . . . . 0.0 113.025 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.28 64.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.562 1.173 . . . . 0.0 110.059 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.276 24.7 t80 -46.79 -44.3 19.06 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.589 2.441 . . . . 0.0 117.589 161.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -39.18 72.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.399 -2.063 . . . . 0.0 113.731 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -82.81 -20.47 35.68 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.822 -1.799 . . . . 0.0 112.46 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.08 -42.22 73.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.309 1.444 . . . . 0.0 114.213 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.08 -20.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 177.403 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 46.65 4.97 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 117.208 1.643 . . . . 0.0 117.208 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 HD11 ' A' ' 40' ' ' ILE . 47.2 t -84.93 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 123.339 3.57 . . . . 0.0 107.356 164.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -116.06 160.26 20.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.118 0.961 . . . . 0.0 109.482 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.305 8.7 t60 -76.67 -98.48 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.644 -1.285 . . . . 0.0 112.652 168.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -95.1 54.08 1.63 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.288 -2.132 . . . . 0.0 109.897 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.09 7.46 84.37 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 114.646 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.57 147.1 42.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.402 1.081 . . . . 0.0 111.104 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.54 126.78 29.95 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.63 1.572 . . . . 0.0 111.855 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.97 126.14 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.335 -1.478 . . . . 0.0 113.627 -157.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -85.35 147.38 26.55 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.889 1.676 . . . . 0.0 111.683 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -53.33 -48.84 68.11 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.048 2.139 . . . . 0.0 116.439 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -77.09 -35.37 56.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.122 -1.611 . . . . 0.0 112.219 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -80.13 -13.57 59.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -67.52 -50.13 60.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.656 1.983 . . . . 0.0 109.792 164.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 HH11 ' HB3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -66.32 -30.85 71.34 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.847 1.259 . . . . 0.0 111.419 -176.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.434 13.1 ptpt -59.26 -63.97 1.11 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 160.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.313 30.8 pt -45.63 -42.16 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.63 -42.85 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 120.97 -1.081 . . . . 0.0 113.643 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -74.83 -47.12 32.18 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.866 1.667 . . . . 0.0 115.115 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.4 10.27 9.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -165.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.34 143.73 22.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.169 -1.582 . . . . 0.0 112.224 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 p -82.38 171.0 14.67 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.266 -2.146 . . . . 0.0 108.483 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.75 -44.33 73.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.708 -1.245 . . . . 0.0 112.863 171.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.54 -39.74 94.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.21 -38.61 83.88 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 126.645 1.978 . . . . 0.0 110.808 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.56 -42.68 41.92 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.916 2.086 . . . . 0.0 110.559 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -60.66 -30.86 70.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.906 -1.121 . . . . 0.0 113.376 167.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 m -63.09 -42.01 99.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.898 -1.127 . . . . 0.0 112.73 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.1 -44.63 83.77 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.695 -1.253 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.62 -44.5 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 120.272 -1.517 . . . . 0.0 114.883 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -55.16 -42.83 73.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.946 -1.721 . . . . 0.0 114.756 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.22 -34.51 11.61 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -119.84 51.84 1.15 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.488 -2.008 . . . . 0.0 110.552 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -39.52 -72.59 0.06 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.1 2.16 . . . . 0.0 116.532 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -71.32 -51.25 25.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.195 1.798 . . . . 0.0 112.737 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.37 93.82 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 118.477 -1.18 . . . . 0.0 114.942 -175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 1.0 OUTLIER -70.75 -45.81 64.12 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.122 -176.287 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.84 -54.07 3.52 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.417 2.371 . . . . 0.0 115.862 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.41 -60.33 7.21 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 114.848 0.699 . . . . 0.0 114.848 176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.16 -21.02 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 118.491 -2.77 . . . . 0.0 113.412 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -78.42 -23.8 46.49 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.693 -1.88 . . . . 0.0 113.632 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 mmm-85 -61.56 -40.6 95.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.478 1.49 . . . . 0.0 111.161 167.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.11 -50.68 53.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.842 1.657 . . . . 0.0 108.481 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.13 -46.69 87.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.004 -1.685 . . . . 0.0 111.298 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.99 -49.77 65.5 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.4 ptp -77.28 -20.31 55.26 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 121.124 -0.985 . . . . 0.0 113.563 -169.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.9 m-30 -88.44 -0.93 57.73 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.057 0.943 . . . . 0.0 111.979 -175.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.253 2.2 t . . . . . 0 N--CA 1.428 -1.531 0 CA-C-O 122.684 1.231 . . . . 0.0 108.033 167.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 p30 . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -52.9 -41.6 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.929 2.491 . . . . 0.0 115.586 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -65.63 -20.82 66.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.767 2.027 . . . . 0.0 112.642 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -78.88 -49.35 13.02 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.398 -1.439 . . . . 0.0 109.966 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.456 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.7 t -58.96 -37.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 119.009 -2.307 . . . . 0.0 114.063 176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -49.63 -62.63 1.45 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 129.395 3.078 . . . . 0.0 112.516 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.98 -27.97 68.54 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mt -80.42 -29.76 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.263 -2.148 . . . . 0.0 112.194 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.69 -41.63 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.608 1.963 . . . . 0.0 113.308 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' THR . . . . . 0.405 HG21 HG22 ' A' ' 42' ' ' VAL . 12.5 p -75.96 -38.45 57.5 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 121.763 0.792 . . . . 0.0 113.097 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.432 HG13 ' CD1' ' A' ' 17' ' ' ILE . 27.6 t -51.46 -48.44 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-O 124.223 1.963 . . . . 0.0 113.938 163.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.74 62.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.57 -1.331 . . . . 0.0 110.537 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -74.28 -18.51 60.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.955 -1.716 . . . . 0.0 113.376 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -62.46 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-N 120.217 1.371 . . . . 0.0 110.402 164.421 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.571 HD23 HG22 ' B' ' 17' ' ' ILE . 9.8 mt -65.55 -28.23 69.01 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.239 -2.163 . . . . 0.0 114.937 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.252 44.2 mt -77.26 -29.4 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 120.188 -1.57 . . . . 0.0 110.352 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.77 91.91 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.154 1.782 . . . . 0.0 114.134 170.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' PHE . . . . . 0.539 ' CE2' HG23 ' B' ' 17' ' ' ILE . 31.3 m-85 -94.38 8.98 40.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 119.925 -1.734 . . . . 0.0 113.812 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t 70.59 43.18 0.79 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.774 1.23 . . . . 0.0 113.886 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -121.34 31.83 6.17 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.87 2.468 . . . . 0.0 110.978 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.313 0.0 OUTLIER -61.9 -1.86 0.74 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 175.867 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.49 -26.96 63.84 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.417 -1.427 . . . . 0.0 112.084 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.56 -39.33 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.06 1.744 . . . . 0.0 111.127 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 t -74.72 -27.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.124 -1.61 . . . . 0.0 112.763 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 8.0 tm-20 -72.14 -11.81 60.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.329 2.252 . . . . 0.0 115.014 -171.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.76 124.11 21.96 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.92 -1.112 . . . . 0.0 110.049 170.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -49.61 60.76 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.102 1.761 . . . . 0.0 113.596 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.96 66.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 117.41 -3.306 . . . . 0.0 118.716 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.43 -32.1 26.26 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.791 -1.818 . . . . 0.0 111.018 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.79 -52.84 63.37 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.104 1.761 . . . . 0.0 111.3 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.58 -43.86 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 130.182 3.393 . . . . 0.0 113.534 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.63 68.68 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 174.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.12 39.21 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.081 173.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.0 -46.34 85.4 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.688 -1.882 . . . . 0.0 112.756 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -81.04 -9.2 59.86 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.443 -2.036 . . . . 0.0 113.768 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -70.87 -49.92 40.82 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.691 -1.256 . . . . 0.0 111.916 168.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.518 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -90.18 -12.62 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.484 -1.385 . . . . 0.0 114.21 -176.106 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.97 43.28 6.04 Favored Glycine 0 N--CA 1.43 -1.756 0 N-CA-C 116.435 1.334 . . . . 0.0 116.435 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.518 HG23 HD11 ' B' ' 40' ' ' ILE . 17.4 t -96.68 127.57 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 119.353 1.577 . . . . 0.0 106.777 160.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -140.11 164.99 28.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -81.23 -67.81 0.75 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.93 0.871 . . . . 0.0 112.854 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -113.01 32.47 5.69 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.218 -1.551 . . . . 0.0 110.022 -170.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.05 15.72 60.96 Favored Glycine 0 N--CA 1.429 -1.776 0 O-C-N 119.788 -1.82 . . . . 0.0 115.511 -165.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -112.7 152.01 29.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.27 133.75 50.29 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.91 -1.744 . . . . 0.0 112.395 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -86.29 116.28 24.36 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.304 1.05 . . . . 0.0 109.757 -157.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.51 161.51 18.54 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -166.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.66 -42.21 78.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.396 -1.44 . . . . 0.0 114.577 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -71.59 -47.11 56.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.359 1.464 . . . . 0.0 111.931 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -70.33 -23.57 62.85 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.334 -2.104 . . . . 0.0 115.923 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.73 -51.9 67.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.773 -1.829 . . . . 0.0 112.147 163.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -65.85 -20.65 66.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.645 -1.284 . . . . 0.0 114.26 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER -68.81 -45.69 70.57 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.45 -2.031 . . . . 0.0 115.155 165.253 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.328 6.9 pt -57.12 -55.78 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 121.081 1.764 . . . . 0.0 112.741 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.46 -25.55 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -80.67 -49.13 11.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.18 11.4 9.95 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -160.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.64 146.34 25.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.471 1.508 . . . . 0.0 111.161 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -86.52 170.93 11.47 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.223 -1.548 . . . . 0.0 107.066 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -61.07 -40.78 94.98 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.252 -2.155 . . . . 0.0 112.43 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.41 -35.51 70.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.077 2.151 . . . . 0.0 115.305 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.31 -36.24 63.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.434 -1.416 . . . . 0.0 113.751 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -73.1 -44.83 59.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.745 -1.222 . . . . 0.0 109.935 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -52.66 -40.62 63.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 120.525 1.511 . . . . 0.0 114.048 164.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -59.7 -39.43 84.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 175.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.2 -45.6 66.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.353 -1.467 . . . . 0.0 112.991 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.23 -48.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.872 2.069 . . . . 0.0 113.099 171.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -59.44 -45.73 90.74 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.91 1.684 . . . . 0.0 114.692 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -100.21 -27.6 13.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.815 -1.178 . . . . 0.0 113.982 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.16 60.66 0.78 Allowed 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -53.47 -70.16 0.1 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.528 1.931 . . . . 0.0 114.989 -167.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -57.39 -56.51 20.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.775 1.63 . . . . 0.0 114.23 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLY . . . . . 0.569 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -57.24 -50.77 62.0 Favored Glycine 0 N--CA 1.431 -1.672 0 C-N-CA 125.759 1.647 . . . . 0.0 115.394 -173.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.315 0.5 OUTLIER -78.43 -35.77 46.47 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.681 1.741 . . . . 0.0 111.823 -175.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -54.02 -55.24 29.16 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 122.759 2.527 . . . . 0.0 114.809 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.69 7.1 Favored Glycine 0 N--CA 1.43 -1.747 0 CA-C-O 122.837 1.243 . . . . 0.0 114.907 173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.569 HG22 ' O ' ' B' ' 76' ' ' GLY . 16.2 m -64.91 -26.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.722 -2.046 . . . . 0.0 115.759 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.04 -15.5 58.87 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.806 -1.809 . . . . 0.0 112.912 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -63.68 -49.42 73.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.492 -2.005 . . . . 0.0 111.084 160.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' TYR . . . . . 0.4 ' HA ' ' HE3' ' B' ' 86' ' ' MET . 7.6 m-85 -64.76 -59.76 3.87 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 126.558 1.943 . . . . 0.0 110.491 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -51.98 -36.38 49.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.841 -1.787 . . . . 0.0 114.956 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -77.37 -36.78 53.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.906 -1.121 . . . . 0.0 112.036 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 83' ' ' TYR . 12.4 ptp -75.02 -29.09 60.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.832 -1.793 . . . . 0.0 113.427 -173.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 21.6 m-85 -88.35 12.78 13.19 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.464 1.506 . . . . 0.0 112.623 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.453 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.443 0 C-N-CA 125.172 1.389 . . . . 0.0 109.505 163.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.43 -1.44 0 CA-C-O 121.8 0.809 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.02 -45.38 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.128 2.571 . . . . 0.0 113.166 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.16 -42.71 66.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.742 2.017 . . . . 0.0 115.129 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -83.49 -32.08 26.15 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 123.623 0.769 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.35 -38.28 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 O-C-N 119.333 -2.105 . . . . 0.0 113.06 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -66.56 -48.08 70.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.956 2.102 . . . . 0.0 113.528 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.96 -51.17 43.42 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.391 1.476 . . . . 0.0 112.034 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -77.43 -23.68 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.397 -1.439 . . . . 0.0 113.737 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.02 -62.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 118.475 -2.64 . . . . 0.0 112.178 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -59.11 -36.27 74.87 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.779 1.232 . . . . 0.0 112.628 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 17' ' ' ILE . 2.3 t -58.86 -42.86 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.76 1.624 . . . . 0.0 114.93 169.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.24 -38.73 68.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 118.03 -2.919 . . . . 0.0 110.459 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -25.3 67.43 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.586 HG21 HG21 ' B' ' 17' ' ' ILE . 7.2 mm -55.97 -50.76 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 120.249 1.386 . . . . 0.0 110.505 164.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD23 ' HB ' ' A' ' 26' ' ' ILE . 4.1 mp -57.97 -43.75 86.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 122.723 0.409 . . . . 0.0 111.743 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -76.93 -19.43 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 O-C-N 118.791 -2.443 . . . . 0.0 113.674 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -44.18 97.28 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.294 -2.754 . . . . 0.0 110.953 166.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.01 -2.56 44.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.216 1.806 . . . . 0.0 113.422 172.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 52.51 47.57 24.42 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -110.31 58.64 0.61 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.868 1.667 . . . . 0.0 110.875 168.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.351 0.0 OUTLIER -69.15 -11.17 60.56 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 178.391 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -35.69 26.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.149 2.58 . . . . 0.0 116.453 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.411 ' HB ' HD23 ' A' ' 18' ' ' LEU . 37.1 mt -75.1 -33.68 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.283 -1.511 . . . . 0.0 111.108 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.45 -34.88 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.54 -1.35 . . . . 0.0 111.229 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 41.6 tt0 -50.51 -13.75 0.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 129.765 3.226 . . . . 0.0 119.411 -177.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.48 133.33 32.58 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.598 -1.939 . . . . 0.0 109.014 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -54.49 -48.03 72.32 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.659 1.184 . . . . 0.0 113.38 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.72 -51.64 68.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.357 -1.464 . . . . 0.0 114.505 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.35 -34.05 60.29 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -71.03 -49.43 45.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.564 1.546 . . . . 0.0 112.288 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 51' ' ' GLN . 48.7 mt -50.17 -42.38 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 129.06 2.944 . . . . 0.0 114.587 168.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.88 31.63 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.22 -42.36 14.11 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.011 2.124 . . . . 0.0 114.262 169.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.22 -45.57 75.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 120.353 1.433 . . . . 0.0 114.252 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -76.12 -23.33 54.87 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.726 -1.859 . . . . 0.0 113.764 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.95 -47.1 72.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.353 -1.467 . . . . 0.0 112.899 171.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.427 HG21 HD13 ' B' ' 17' ' ' ILE . 33.8 pt -82.5 -19.98 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 O-C-N 120.731 -1.231 . . . . 0.0 112.578 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.15 24.77 13.87 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-O 117.968 -1.462 . . . . 0.0 116.365 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.61 125.43 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.948 3.874 . . . . 0.0 109.832 172.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -107.89 157.34 18.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.254 7.9 t60 -79.84 -96.73 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.244 -0.91 . . . . 0.0 112.847 169.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -91.58 50.1 1.67 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.757 -1.84 . . . . 0.0 110.199 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.34 -0.34 69.01 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.847 -1.158 . . . . 0.0 114.949 -170.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -125.89 169.33 12.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.972 -1.311 . . . . 0.0 110.449 -167.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -67.8 127.05 31.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.73 120.38 27.09 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.357 1.551 . . . . 0.0 111.594 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -100.0 175.59 5.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.295 1.438 . . . . 0.0 112.298 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 34' ' ' ILE . 48.7 tt0 -72.91 -46.63 51.53 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.053 -1.654 . . . . 0.0 113.707 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -66.33 -43.92 84.76 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.205 1.402 . . . . 0.0 111.912 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -74.14 -18.33 60.8 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.506 1.522 . . . . 0.0 114.137 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -70.37 -46.43 64.09 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 123.669 1.7 . . . . 0.0 110.676 169.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.503 HH11 ' HB2' ' A' ' 55' ' ' ARG . 2.3 mtp-105 -63.1 -35.4 80.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.272 -2.142 . . . . 0.0 112.166 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -25.1 62.97 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 174.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.36 40.4 pt -68.0 -45.33 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 121.1 -1.0 . . . . 0.0 113.54 168.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.72 -43.51 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -78.51 -55.23 5.37 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -167.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.24 11.76 2.7 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.003 2.224 . . . . 0.0 117.003 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.11 148.99 7.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 126.129 1.771 . . . . 0.0 114.7 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.4 p -89.91 172.87 8.57 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.42 -1.425 . . . . 0.0 109.439 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -58.57 -45.24 89.43 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.228 -1.545 . . . . 0.0 112.331 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.89 -35.22 77.69 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.53 -43.52 89.75 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.42 1.105 . . . . 0.0 112.267 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -72.84 -47.25 47.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.693 -1.254 . . . . 0.0 110.195 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.98 -37.98 55.01 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.037 1.335 . . . . 0.0 113.288 167.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.7 m -60.46 -44.28 96.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 112.501 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 mt -71.24 -38.99 71.93 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.717 -1.239 . . . . 0.0 112.964 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -56.12 -47.66 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.371 1.469 . . . . 0.0 112.906 170.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.39 -40.5 94.56 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.54 -29.9 17.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.615 -1.303 . . . . 0.0 113.512 -174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.48 56.57 1.36 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -50.62 -58.46 5.78 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.332 -2.105 . . . . 0.0 114.596 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 -46.42 81.78 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 124.023 1.868 . . . . 0.0 113.92 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.25 -50.1 6.98 Favored Glycine 0 N--CA 1.43 -1.751 0 O-C-N 120.863 -1.148 . . . . 0.0 113.57 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.265 1.6 t80 -75.7 -32.62 60.16 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.084 -1.245 . . . . 0.0 110.746 -173.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CD ' HH12 ' A' ' 82' ' ' ARG . 11.1 mm-40 -52.62 -50.91 62.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.073 2.215 . . . . 0.0 114.096 167.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.48 -70.4 1.02 Allowed Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.369 -1.457 . . . . 0.0 114.727 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -67.68 -21.72 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.068 -2.43 . . . . 0.0 115.389 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -80.44 -21.53 42.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 120.607 1.548 . . . . 0.0 112.578 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.417 HH12 ' CD ' ' A' ' 78' ' ' GLU . 80.2 mmt-85 -62.61 -37.35 85.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 115.911 -2.316 . . . . 0.0 113.248 163.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.48 -51.81 13.76 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.226 1.41 . . . . 0.0 107.839 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.65 -41.31 97.33 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.697 -1.877 . . . . 0.0 111.967 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.62 -35.94 75.7 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.583 -1.948 . . . . 0.0 114.061 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -72.66 -29.61 63.58 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.196 -1.565 . . . . 0.0 113.824 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 22.1 m-85 -85.67 -7.82 58.58 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.575 1.15 . . . . 0.0 110.132 -175.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.28 5.8 t . . . . . 0 N--CA 1.43 -1.442 0 CA-C-O 122.709 1.242 . . . . 0.0 110.605 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.429 -1.495 0 CA-C-O 121.324 0.583 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tt -53.82 -40.47 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 126.664 1.986 . . . . 0.0 114.887 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -68.23 -22.03 64.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.856 1.662 . . . . 0.0 115.102 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -87.31 -34.48 18.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.635 1.207 . . . . 0.0 111.764 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.79 -38.85 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 124.371 1.069 . . . . 0.0 108.722 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -51.56 -61.13 2.44 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 130.976 3.711 . . . . 0.0 112.603 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.31 -31.55 63.8 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.56 -26.18 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.232 -1.542 . . . . 0.0 110.681 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.543 HG23 HG21 ' B' ' 80' ' ' VAL . 6.3 mt -60.58 -43.21 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 127.142 2.177 . . . . 0.0 113.564 173.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -76.21 -40.83 51.25 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.087 0.47 . . . . 0.0 112.195 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -50.4 -44.03 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.462 1.505 . . . . 0.0 113.625 161.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -29.91 65.01 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.53 0.681 . . . . 0.0 111.617 -175.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.8 p -73.95 -18.28 60.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.266 -2.146 . . . . 0.0 115.597 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 14' ' ' VAL . 4.5 mm -62.4 -48.78 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.574 1.654 . . . . 0.0 110.927 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.403 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 5.2 mp -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.808 -1.182 . . . . 0.0 113.093 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.276 21.9 mt -72.94 -36.67 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 O-C-N 120.879 -1.138 . . . . 0.0 112.261 171.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.51 76.78 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.97 1.708 . . . . 0.0 114.069 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -92.93 1.03 57.51 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.247 -1.533 . . . . 0.0 115.051 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t 71.83 39.39 0.85 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.869 1.318 . . . . 0.0 113.453 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -113.8 38.66 2.89 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.912 2.085 . . . . 0.0 109.476 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -6.33 8.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.69 1.596 . . . . 0.0 114.603 169.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.25 -39.51 90.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.349 2.26 . . . . 0.0 112.31 165.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.3 mt -69.4 -34.91 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.871 1.668 . . . . 0.0 110.244 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -72.66 -32.47 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 O-C-N 120.39 -1.443 . . . . 0.0 113.536 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -24.76 67.02 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.765 2.426 . . . . 0.0 117.398 -166.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.9 133.7 50.62 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 111.309 169.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -48.03 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.717 1.607 . . . . 0.0 112.733 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.7 62.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.273 -2.767 . . . . 0.0 117.031 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -82.65 -35.0 27.28 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.19 -1.569 . . . . 0.0 109.618 171.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -66.89 -49.53 65.32 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.102 2.561 . . . . 0.0 111.109 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.77 -44.3 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 129.321 3.048 . . . . 0.0 112.423 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.88 64.02 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.831 -1.793 . . . . 0.0 111.935 176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -77.44 -33.08 54.9 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.773 -1.204 . . . . 0.0 110.764 170.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.22 -47.08 75.83 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.187 -2.196 . . . . 0.0 111.346 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.95 -15.52 59.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.21 -45.46 66.54 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 120.891 1.678 . . . . 0.0 112.005 165.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.4 pt -88.58 -25.0 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.26 50.01 5.63 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 118.097 1.999 . . . . 0.0 118.097 -173.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -90.33 129.45 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 157.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -119.54 163.72 16.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.714 0.806 . . . . 0.0 110.961 -170.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 20.7 t60 -79.66 -98.53 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 161.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -95.92 59.41 2.0 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.013 -2.304 . . . . 0.0 109.62 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.34 6.53 34.29 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 120.551 -1.343 . . . . 0.0 114.112 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -104.56 148.12 26.85 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.831 2.815 . . . . 0.0 105.47 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.1 135.4 53.54 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.171 -0.956 . . . . 0.0 109.383 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.24 120.86 31.75 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.201 -1.562 . . . . 0.0 110.987 -154.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -82.44 162.0 22.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.555 -0.716 . . . . 0.0 111.571 -167.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.35 -44.76 90.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.238 -1.538 . . . . 0.0 113.341 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -65.55 -47.74 74.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.9 0.88 . . . . 0.0 112.313 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 4.7 m -71.28 -21.93 62.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.618 1.567 . . . . 0.0 115.129 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.23 -55.98 13.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.251 1.5 . . . . 0.0 112.031 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.8 -30.66 70.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.502 1.521 . . . . 0.0 112.807 -175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -66.11 -47.97 72.41 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.082 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.347 31.3 pt -59.01 -48.05 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 120.368 1.44 . . . . 0.0 114.133 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.18 -33.32 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -83.22 -44.87 14.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.38 10.56 8.43 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -166.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.87 149.64 26.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.736 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -89.94 170.93 9.95 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.278 -1.514 . . . . 0.0 108.124 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -57.57 -41.97 82.14 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.533 -1.98 . . . . 0.0 113.641 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.78 -36.82 82.18 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.67 -31.7 68.71 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.655 -1.278 . . . . 0.0 112.615 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -73.62 -54.48 8.05 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.974 1.31 . . . . 0.0 108.937 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.64 -41.59 6.77 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.651 1.581 . . . . 0.0 114.373 168.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -58.61 -43.67 89.7 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.011 0.91 . . . . 0.0 113.225 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.14 -38.71 66.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.08 -1.638 . . . . 0.0 112.576 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -56.64 -47.28 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.058 1.743 . . . . 0.0 113.196 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -65.48 -43.43 90.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 124.928 1.291 . . . . 0.0 114.115 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.78 -36.98 12.01 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.08 58.59 0.61 Allowed 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.574 -1.954 . . . . 0.0 109.517 -172.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -52.68 -66.78 0.33 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.404 1.882 . . . . 0.0 115.313 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -49.77 -61.76 1.94 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.659 1.584 . . . . 0.0 114.864 173.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.23 -57.1 20.04 Favored Glycine 0 N--CA 1.43 -1.729 0 C-N-CA 125.594 1.569 . . . . 0.0 114.974 -170.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' B' ' 80' ' ' VAL . 2.8 t80 -77.15 -29.75 54.7 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 118.455 1.128 . . . . 0.0 111.203 -169.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -53.63 -56.88 13.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.435 1.925 . . . . 0.0 112.846 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.03 -61.0 7.85 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 115.226 0.851 . . . . 0.0 115.226 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.543 HG21 HG23 ' B' ' 12' ' ' ILE . 18.1 m -66.65 -28.18 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 120.221 -1.753 . . . . 0.0 115.046 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -76.34 -14.87 60.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.677 -1.889 . . . . 0.0 112.685 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -64.09 -49.72 71.13 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.287 -2.133 . . . . 0.0 111.252 160.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.41 -61.17 2.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.953 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 69.7 mt -55.57 -34.65 64.97 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.499 1.92 . . . . 0.0 113.81 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.4 -41.8 46.57 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 120.51 1.504 . . . . 0.0 111.779 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 14.3 ptp -71.73 -31.64 66.92 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.897 -1.752 . . . . 0.0 113.122 -172.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.26 -2.34 52.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.141 1.377 . . . . 0.0 111.766 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.354 2.4 t . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 123.391 1.567 . . . . 0.0 110.692 170.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 N--CA 1.43 -1.47 0 CA-C-O 122.336 1.065 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 tt -40.76 -49.44 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 128.762 2.825 . . . . 0.0 116.079 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -54.85 -33.24 61.56 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.733 3.213 . . . . 0.0 113.649 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -95.62 -31.19 13.39 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.721 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 8' ' ' VAL . 6.5 t -57.96 -42.13 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 116.687 -3.758 . . . . 0.0 112.334 169.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.15 8.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 130.451 3.5 . . . . 0.0 113.376 -178.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.93 -23.34 65.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.42 -29.27 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 118.539 -2.601 . . . . 0.0 110.84 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -60.95 -44.35 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.051 2.14 . . . . 0.0 112.089 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 p -60.55 -51.2 70.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 123.116 0.566 . . . . 0.0 111.967 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG13 HD11 ' B' ' 17' ' ' ILE . 3.0 t -48.5 -53.08 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 165.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.47 78.21 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.922 1.82 . . . . 0.0 110.082 -172.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.272 60.4 p -71.21 -12.32 61.4 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 117.65 -3.156 . . . . 0.0 116.113 171.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' B' ' 17' ' ' ILE . 25.5 mm -69.07 -43.75 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-O 123.737 1.732 . . . . 0.0 111.205 164.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.6 mp -69.96 -28.39 65.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 119.247 -2.158 . . . . 0.0 112.079 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.27 8.7 mt -74.85 -42.53 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.868 -1.145 . . . . 0.0 110.382 171.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -37.43 -55.38 1.06 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.035 2.534 . . . . 0.0 115.507 168.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -83.62 3.8 31.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.537 1.935 . . . . 0.0 114.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 3.3 t 60.09 44.09 13.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.158 1.783 . . . . 0.0 115.352 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -115.24 35.06 4.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.843 2.457 . . . . 0.0 110.631 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -61.26 4.98 0.07 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 129.379 3.072 . . . . 0.0 117.6 176.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -78.78 -33.93 45.97 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 127.613 2.365 . . . . 0.0 111.181 173.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.47 -46.88 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-O 122.967 1.365 . . . . 0.0 111.142 171.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.97 -24.6 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.518 1.527 . . . . 0.0 110.713 -172.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 33.3 tt0 -59.68 -23.31 63.0 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -108.59 130.97 55.3 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.399 -2.063 . . . . 0.0 110.168 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -47.48 -55.26 9.44 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.394 2.278 . . . . 0.0 113.613 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.71 -53.24 10.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.625 -2.547 . . . . 0.0 117.235 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -38.97 -42.58 0.88 Allowed 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -63.79 -48.41 77.02 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.693 1.997 . . . . 0.0 113.921 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.25 -43.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 128.756 2.822 . . . . 0.0 114.127 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.63 99.36 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.282 -2.136 . . . . 0.0 113.027 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CZ ' HD21 ' A' ' 18' ' ' LEU 0.301 25.7 t80 -59.1 -41.02 87.1 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.215 2.206 . . . . 0.0 112.909 170.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.05 -48.33 73.61 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.292 -1.505 . . . . 0.0 113.717 169.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -66.98 -36.99 83.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.505 -1.372 . . . . 0.0 113.868 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -55.03 -56.4 20.21 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.829 -1.794 . . . . 0.0 115.376 170.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 pt -83.86 -21.98 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.25 48.53 3.27 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 117.407 1.723 . . . . 0.0 117.407 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.21 132.22 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 120.235 2.017 . . . . 0.0 108.705 166.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -127.67 140.41 52.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.757 -1.215 . . . . 0.0 109.7 -171.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.275 36.7 t60 -74.84 -92.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.152 -1.592 . . . . 0.0 112.426 169.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -92.19 46.26 1.25 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.758 -1.839 . . . . 0.0 109.272 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.7 26.11 66.4 Favored Glycine 0 N--CA 1.431 -1.686 0 O-C-N 118.509 -2.619 . . . . 0.0 117.756 -168.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -131.12 166.46 21.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.452 1.501 . . . . 0.0 107.618 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -72.53 157.8 36.92 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.851 -1.781 . . . . 0.0 110.967 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.71 126.65 48.6 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.116 -1.615 . . . . 0.0 109.189 -170.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -93.23 164.88 13.07 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -169.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -72.54 -43.15 63.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 119.91 -1.744 . . . . 0.0 113.011 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -69.13 -44.96 71.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.376 1.07 . . . . 0.0 113.827 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.1 m -68.1 -24.31 65.02 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.68 -45.35 68.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.02 -2.3 . . . . 0.0 109.897 168.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -63.78 -39.73 94.96 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.253 -1.529 . . . . 0.0 113.706 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.267 26.3 pttt -56.96 -41.29 78.05 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.041 -1.662 . . . . 0.0 115.336 169.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.347 44.2 pt -63.08 -42.55 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 O-C-N 119.772 -1.83 . . . . 0.0 114.722 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.06 -44.05 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -75.81 -53.89 7.78 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.432 8.9 pt-20 -85.75 15.52 4.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.366 2.358 . . . . 0.0 117.366 -168.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -48.48 157.94 0.31 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.161 -1.587 . . . . 0.0 114.399 170.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -83.03 171.54 13.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.871 -1.768 . . . . 0.0 109.291 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -63.82 -48.99 74.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.869 -2.395 . . . . 0.0 113.514 166.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.38 -40.06 73.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.834 1.253 . . . . 0.0 113.772 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.8 -44.03 38.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -85.09 -27.16 26.48 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.341 -1.475 . . . . 0.0 108.614 -172.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.29 -34.6 59.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 107.887 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -60.19 -52.52 64.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.601 1.16 . . . . 0.0 113.27 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.71 -42.62 65.01 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 166.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.76 -44.78 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.216 -2.177 . . . . 0.0 112.575 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -57.69 -30.27 65.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -112.17 -20.76 11.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -122.91 55.44 1.19 Allowed 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.947 -2.345 . . . . 0.0 106.95 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -53.14 -68.09 0.2 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 123.101 1.429 . . . . 0.0 114.848 -160.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.06 -40.75 78.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.35 -51.92 34.59 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 125.478 1.514 . . . . 0.0 114.001 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.8 -34.58 62.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.447 1.123 . . . . 0.0 110.13 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.39 -57.38 3.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.152 -2.217 . . . . 0.0 113.671 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.18 -63.5 4.5 Favored Glycine 0 N--CA 1.431 -1.681 0 O-C-N 120.013 -1.679 . . . . 0.0 114.212 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.97 -24.48 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.51 -2.17 . . . . 0.0 113.731 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.43 -7.24 59.03 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.891 1.678 . . . . 0.0 112.6 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -66.45 -54.89 19.0 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 117.59 -3.194 . . . . 0.0 111.446 153.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.1 m-85 -49.18 -51.95 29.54 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.102 2.161 . . . . 0.0 113.299 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.67 -29.16 64.29 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.093 -2.254 . . . . 0.0 111.676 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.31 -61.07 2.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.255 1.022 . . . . 0.0 111.094 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.29 11.5 ptp -55.78 -50.1 71.38 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -174.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 8.2 m-85 -54.43 -13.53 0.96 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 170.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 3.5 t . . . . . 0 N--CA 1.43 -1.458 0 O-C-N 120.395 -1.44 . . . . 0.0 109.564 168.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 N--CA 1.43 -1.463 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.08 -39.92 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.578 1.951 . . . . 0.0 108.674 -165.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.85 -35.41 57.45 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.351 2.661 . . . . 0.0 112.834 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.411 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -69.87 -55.85 8.64 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.383 1.073 . . . . 0.0 109.53 178.381 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.62 -40.67 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.144 1.378 . . . . 0.0 112.567 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -50.74 -64.89 0.67 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.852 3.661 . . . . 0.0 114.481 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.298 14.0 pt-20 -63.73 -34.88 78.86 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.38 -26.98 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 119.112 -2.242 . . . . 0.0 113.465 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.37 -57.87 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.341 2.656 . . . . 0.0 112.8 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -59.8 -30.72 69.1 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 128.632 2.773 . . . . 0.0 113.851 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.79 -41.19 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 168.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -36.98 54.78 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 118.506 -2.622 . . . . 0.0 110.612 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.291 86.1 p -61.24 -29.2 69.69 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 169.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 17' ' ' ILE . 24.2 mm -44.93 -56.06 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-N 121.668 2.031 . . . . 0.0 114.222 156.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 23.3 mt -61.88 -41.43 97.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mt -71.73 -22.49 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.044 -2.285 . . . . 0.0 114.361 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.69 76.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.164 -2.21 . . . . 0.0 111.164 169.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -69.68 -30.71 68.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.412 -0.805 . . . . 0.0 113.146 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.308 5.0 t 94.85 44.06 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.389 2.275 . . . . 0.0 111.363 170.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -115.68 58.71 0.73 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.043 2.137 . . . . 0.0 111.067 169.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -64.86 -11.04 33.13 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 177.055 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -39.26 16.07 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.551 2.34 . . . . 0.0 116.783 166.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.12 -34.17 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 119.378 -2.076 . . . . 0.0 111.673 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.6 -35.07 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.087 1.355 . . . . 0.0 110.081 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 79.2 tt0 -54.93 -20.7 9.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.994 2.918 . . . . 0.0 116.657 -177.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -129.91 128.0 41.28 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.259 -2.15 . . . . 0.0 107.662 173.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -50.25 -45.81 54.45 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.226 1.41 . . . . 0.0 113.395 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -54.93 39.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -53.67 -32.09 50.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -68.97 -51.43 39.56 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.19 1.396 . . . . 0.0 113.163 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' B' ' 51' ' ' GLN . 52.8 mt -54.89 -38.62 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 129.229 3.012 . . . . 0.0 113.2 172.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.1 -57.59 12.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.455 1.502 . . . . 0.0 110.746 173.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 28.3 t80 -47.55 -42.42 23.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.565 1.546 . . . . 0.0 114.849 166.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -33.47 74.19 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.434 -2.041 . . . . 0.0 114.395 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -76.97 -28.1 55.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.986 -1.696 . . . . 0.0 113.246 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.59 -54.81 12.25 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.182 -1.574 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 16.5 pt -80.07 -18.7 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 111.362 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.79 10.45 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 118.966 2.346 . . . . 0.0 118.966 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.82 107.22 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 CA-C-N 123.167 3.483 . . . . 0.0 108.992 167.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.3 p -109.84 113.61 26.48 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -65.54 -62.79 1.32 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -170.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.01 44.06 1.19 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.789 -1.819 . . . . 0.0 110.776 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.62 9.81 82.54 Favored Glycine 0 N--CA 1.431 -1.654 0 N-CA-C 114.854 0.702 . . . . 0.0 114.854 -169.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -117.45 144.06 45.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.424 1.49 . . . . 0.0 108.424 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -77.85 162.41 26.89 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.112 -1.618 . . . . 0.0 112.213 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.6 128.96 38.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 114.13 -167.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -92.52 160.59 14.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.088 1.755 . . . . 0.0 108.827 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' B' ' 34' ' ' ILE . 26.3 mt-30 -70.12 -42.88 72.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.985 -1.697 . . . . 0.0 114.506 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -66.33 -40.36 89.83 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -73.22 -25.93 60.94 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.64 1.576 . . . . 0.0 111.858 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -71.8 -43.14 66.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.171 0.988 . . . . 0.0 109.41 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -68.12 -34.06 75.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.181 -1.575 . . . . 0.0 112.248 -176.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.272 28.4 pttt -65.88 -45.33 82.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 171.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 7' ' ' THR . 28.7 pt -55.15 -37.22 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 m -83.28 -38.51 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -89.33 -40.98 12.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.3 9.85 27.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.198 1.817 . . . . 0.0 112.938 -163.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.91 152.54 7.29 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.14 2.576 . . . . 0.0 112.427 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.7 p -82.01 171.77 14.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -69.3 -41.37 76.88 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.472 -1.392 . . . . 0.0 111.352 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.62 -47.56 40.07 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 127.567 2.347 . . . . 0.0 115.129 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.05 -34.6 70.27 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.376 1.56 . . . . 0.0 113.978 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -83.34 -42.13 17.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.163 -1.586 . . . . 0.0 110.196 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -55.0 -39.14 68.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.307 -1.496 . . . . 0.0 113.277 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.6 m -58.71 -40.53 83.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.127 1.442 . . . . 0.0 114.051 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.25 -38.91 65.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.163 -2.211 . . . . 0.0 110.319 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.45 -43.68 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.941 -1.724 . . . . 0.0 114.851 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -71.81 -36.55 70.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.64 -1.912 . . . . 0.0 116.145 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -85.6 -35.39 21.03 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.577 -1.327 . . . . 0.0 114.249 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.32 66.26 0.88 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.013 -2.304 . . . . 0.0 110.249 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -53.76 -65.74 0.51 Allowed 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.554 1.168 . . . . 0.0 113.163 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.82 -49.76 75.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.634 1.573 . . . . 0.0 113.561 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.05 23.3 Favored Glycine 0 N--CA 1.43 -1.713 0 O-C-N 120.275 -1.516 . . . . 0.0 115.612 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.287 4.5 t80 -68.92 -40.58 79.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 119.252 1.526 . . . . 0.0 109.17 -173.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -44.56 -56.51 4.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.927 2.149 . . . . 0.0 116.03 167.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -70.02 1.13 Allowed Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 115.688 1.035 . . . . 0.0 115.688 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -28.58 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.007 -2.467 . . . . 0.0 114.355 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . 0.252 24.5 t80 -64.77 -41.27 95.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 122.577 2.444 . . . . 0.0 115.192 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -45.16 -51.52 10.37 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 162.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -71.14 -46.9 60.6 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.621 -0.675 . . . . 0.0 110.449 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.72 -47.67 85.24 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.407 1.483 . . . . 0.0 112.119 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.04 -59.39 3.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.188 1.358 . . . . 0.0 114.503 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.376 9.8 ptp -44.37 -35.83 2.56 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 120.231 3.419 . . . . 0.0 120.231 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-85 -85.12 -3.76 58.91 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.768 -1.832 . . . . 0.0 112.75 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.303 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.454 0 CA-C-O 123.771 1.748 . . . . 0.0 107.472 171.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -45.34 -47.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.078 2.151 . . . . 0.0 115.566 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -68.13 -10.82 57.03 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.559 1.944 . . . . 0.0 113.707 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -46.65 8.36 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.638 1.575 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 8' ' ' VAL . 3.0 t -59.79 -47.22 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.087 1.755 . . . . 0.0 109.469 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -39.67 -68.22 0.18 Allowed 'General case' 0 N--CA 1.429 -1.511 1 C-N-CA 132.493 4.317 . . . . 0.0 114.529 169.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -67.38 -26.64 66.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.484 -2.01 . . . . 0.0 114.025 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.09 -35.67 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.6 -1.938 . . . . 0.0 111.077 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mt -55.49 -33.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 129.301 3.041 . . . . 0.0 116.318 170.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -81.95 -31.25 31.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.282 -0.887 . . . . 0.0 110.438 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -61.83 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.417 2.287 . . . . 0.0 114.009 164.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.0 97.78 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.337 -2.102 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 p -68.29 -13.63 62.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.558 HG21 HG21 ' B' ' 17' ' ' ILE . 50.0 mm -62.48 -53.99 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.67 -1.269 . . . . 0.0 110.898 163.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.14 -33.93 75.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.778 -1.201 . . . . 0.0 112.823 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.0 mt -79.29 -20.91 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.901 -1.124 . . . . 0.0 112.576 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.7 -40.44 96.79 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.486 -1.384 . . . . 0.0 110.999 164.76 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.07 3.27 52.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.337 1.455 . . . . 0.0 113.477 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 59.46 32.47 21.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.51 2.324 . . . . 0.0 116.408 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -103.64 39.43 1.6 Allowed 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 127.562 2.345 . . . . 0.0 112.083 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.366 0.0 OUTLIER -61.71 -17.47 55.85 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -37.24 -43.23 0.51 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.258 2.223 . . . . 0.0 116.651 165.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.22 -49.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.906 1.682 . . . . 0.0 112.329 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -61.13 -39.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 126.916 2.086 . . . . 0.0 111.879 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -63.11 -18.77 63.78 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.485 2.314 . . . . 0.0 116.131 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -114.09 115.12 27.04 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.253 -2.154 . . . . 0.0 110.297 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 88' ' ' THR . 6.7 ttp-105 -33.66 -63.86 0.24 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 129.355 3.062 . . . . 0.0 114.531 172.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.17 -15.0 59.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 118.417 2.747 . . . . 0.0 118.417 -175.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -86.34 -36.53 19.19 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -56.6 -53.67 54.96 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.549 2.34 . . . . 0.0 112.484 170.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 54' ' ' PHE . 40.3 mt -53.44 -42.7 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.284 2.233 . . . . 0.0 115.455 172.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.99 -25.18 65.29 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.73 -1.856 . . . . 0.0 115.204 172.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -73.93 -41.58 61.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 109.877 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.92 -39.36 71.55 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.905 1.682 . . . . 0.0 113.462 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -77.42 -14.19 59.76 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.954 -1.716 . . . . 0.0 115.431 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -78.01 -53.45 7.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 120.079 1.309 . . . . 0.0 112.055 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -6.8 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.062 -1.024 . . . . 0.0 112.705 -173.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.28 49.11 5.67 Favored Glycine 0 N--CA 1.43 -1.708 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.11 109.79 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 119.507 1.653 . . . . 0.0 108.827 172.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -104.04 132.09 50.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.445 -0.784 . . . . 0.0 110.73 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.276 2.0 t60 -71.56 -95.07 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.695 -1.253 . . . . 0.0 113.635 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -88.06 47.59 1.52 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.554 -1.966 . . . . 0.0 111.313 -173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.68 6.42 77.23 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -122.54 152.88 39.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.79 146.01 34.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.376 1.444 . . . . 0.0 110.269 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.12 134.79 34.24 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.093 -1.629 . . . . 0.0 111.803 -151.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.01 157.67 17.14 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.732 -1.23 . . . . 0.0 111.548 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.37 -41.22 94.02 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.444 -1.41 . . . . 0.0 113.986 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -67.98 -53.49 25.7 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.573 1.149 . . . . 0.0 113.08 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.6 m -59.29 -24.92 63.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD2' HD11 ' A' ' 34' ' ' ILE . 52.3 t80 -60.22 -48.95 79.55 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.958 1.837 . . . . 0.0 112.723 168.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -68.06 -30.05 69.16 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.725 -1.234 . . . . 0.0 112.317 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -68.92 -45.22 71.4 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.62 -1.3 . . . . 0.0 113.825 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 24.1 pt -58.76 -48.37 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 119.69 -1.881 . . . . 0.0 113.296 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.81 -31.49 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -88.0 -51.81 5.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 6.5 pt-20 -91.53 11.11 25.18 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 119.523 -1.985 . . . . 0.0 114.741 -164.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.3 mt -37.75 145.62 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.505 -1.372 . . . . 0.0 114.024 160.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.3 p -75.37 174.23 9.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.758 -1.839 . . . . 0.0 110.796 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -65.01 -40.33 94.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.854 -1.778 . . . . 0.0 110.964 171.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -57.37 -50.29 73.46 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -58.36 -34.7 70.97 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.964 1.705 . . . . 0.0 114.968 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.45 -46.32 49.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.4 -31.26 71.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.257 -2.152 . . . . 0.0 113.074 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.0 m -61.09 -41.23 96.29 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.593 1.557 . . . . 0.0 113.672 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.55 -32.15 62.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.16 -1.588 . . . . 0.0 111.639 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.21 -28.24 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.186 1.795 . . . . 0.0 113.891 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -66.63 -48.8 68.29 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.834 -1.791 . . . . 0.0 114.554 172.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -89.93 -53.52 4.45 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -174.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -86.89 62.1 7.2 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.809 2.844 . . . . 0.0 112.567 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -57.56 -64.84 0.76 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.907 1.283 . . . . 0.0 114.048 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.98 -55.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.048 1.739 . . . . 0.0 112.769 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.74 -57.42 16.27 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -174.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.273 0.5 OUTLIER -78.64 -30.12 46.23 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 119.171 1.486 . . . . 0.0 110.606 -169.272 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.27 -50.04 68.18 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.221 2.282 . . . . 0.0 113.018 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.52 -70.95 0.85 Allowed Glycine 0 N--CA 1.431 -1.689 0 O-C-N 120.107 -1.62 . . . . 0.0 114.267 170.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.18 -19.29 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.252 -2.322 . . . . 0.0 115.241 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -83.04 -15.86 49.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.022 -1.674 . . . . 0.0 112.814 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -70.01 -37.74 75.74 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 123.408 2.822 . . . . 0.0 111.74 163.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.26 -62.24 1.66 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.159 2.184 . . . . 0.0 107.424 -174.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.0 mt -56.36 -28.85 60.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.06 -41.64 70.48 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.102 -1.624 . . . . 0.0 113.613 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -86.05 -23.3 26.81 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.59 -1.319 . . . . 0.0 114.376 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.4 m-30 -78.26 -1.02 30.98 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.762 -1.211 . . . . 0.0 113.795 -171.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 30' ' ' ARG 0.28 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.478 0 C-N-CA 124.695 1.198 . . . . 0.0 107.955 169.532 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ASN . . . . . 0.411 ' N ' HD21 ' B' ' 4' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.446 0 CA-C-O 121.81 0.814 . . . . 0.0 109.703 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 tt -71.05 -41.29 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.52 0 C-N-CA 128.894 2.878 . . . . 0.0 115.95 -163.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.03 -32.14 65.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.839 2.056 . . . . 0.0 113.438 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -59.55 3.5 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 125.641 1.577 . . . . 0.0 108.752 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.0 t -51.21 -35.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 C-N-CA 126.638 1.975 . . . . 0.0 113.485 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -59.13 -62.23 2.04 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 128.852 2.861 . . . . 0.0 112.094 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.98 -39.63 92.83 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 121.032 -1.042 . . . . 0.0 113.73 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -71.31 -23.5 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.344 -1.472 . . . . 0.0 113.003 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.657 HG23 HG21 ' B' ' 80' ' ' VAL . 7.8 mt -60.43 -52.51 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 118.982 -2.324 . . . . 0.0 110.841 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -26.29 66.34 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.459 1.504 . . . . 0.0 114.869 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 17' ' ' ILE . 2.3 t -69.44 -42.61 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.784 -1.197 . . . . 0.0 111.426 167.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.09 73.25 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.816 -2.428 . . . . 0.0 113.332 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -60.68 -26.72 67.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.579 HD11 HG13 ' A' ' 14' ' ' VAL . 1.1 mm -60.71 -46.82 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 125.208 1.403 . . . . 0.0 113.601 166.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 1.5 mm? -55.73 -42.93 76.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.48 -1.387 . . . . 0.0 113.118 172.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.94 -36.43 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 124.642 1.177 . . . . 0.0 112.351 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -51.21 -45.51 61.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.267 -2.146 . . . . 0.0 113.798 166.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -84.78 7.89 19.1 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 52.97 35.82 20.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.419 2.688 . . . . 0.0 114.89 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.34 50.95 0.77 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.395 1.878 . . . . 0.0 110.228 173.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -16.51 63.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -70.88 -15.56 62.63 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.203 -1.561 . . . . 0.0 115.102 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.47 -52.78 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.639 -1.913 . . . . 0.0 110.133 166.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -53.99 -39.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.805 2.442 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.4 tm-20 -52.28 -18.57 1.61 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 129.985 3.314 . . . . 0.0 117.613 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -117.51 110.06 17.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.877 -1.764 . . . . 0.0 110.166 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -34.15 -62.31 0.33 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 130.357 3.463 . . . . 0.0 113.991 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.11 96.12 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -63.56 -33.01 74.65 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.499 -2.001 . . . . 0.0 114.074 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.14 -51.13 65.35 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.89 1.676 . . . . 0.0 111.84 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.42 -40.69 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 131.591 3.956 . . . . 0.0 113.511 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -50.6 70.68 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.513 1.149 . . . . 0.0 109.975 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 8.6 t80 -58.04 -37.19 73.91 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.051 2.14 . . . . 0.0 114.451 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.86 -40.65 80.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.489 -2.007 . . . . 0.0 113.155 173.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -73.68 -18.81 60.97 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.953 -1.092 . . . . 0.0 113.836 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -72.79 -54.87 7.71 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.349 1.06 . . . . 0.0 113.03 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.575 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -88.68 -12.3 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 120.058 -1.651 . . . . 0.0 112.828 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.47 32.11 6.8 Favored Glycine 0 N--CA 1.43 -1.739 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.575 HG23 HD11 ' B' ' 40' ' ' ILE 0.327 26.5 t -71.58 102.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.142 1.449 . . . . 0.0 110.342 167.648 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -106.71 130.02 54.51 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.458 1.503 . . . . 0.0 109.249 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -73.45 -89.9 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -79.83 27.45 0.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.293 -2.129 . . . . 0.0 113.601 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.21 -4.62 80.4 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.117 -1.614 . . . . 0.0 113.423 -154.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -101.77 151.28 22.24 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.682 1.193 . . . . 0.0 110.659 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -73.82 143.43 45.94 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.955 0.883 . . . . 0.0 110.677 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.97 126.42 37.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.342 -1.474 . . . . 0.0 113.304 -160.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -94.9 158.29 15.55 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.063 1.745 . . . . 0.0 112.602 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.64 -37.32 70.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.0 -46.09 68.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.522 -1.361 . . . . 0.0 113.256 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -71.14 -17.12 62.57 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.709 -1.245 . . . . 0.0 113.79 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.422 ' HA ' HG12 ' B' ' 57' ' ' ILE . 86.0 t80 -68.28 -47.42 67.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.773 1.749 . . . . 0.0 111.498 168.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -70.89 -23.2 62.24 Favored 'General case' 0 N--CA 1.429 -1.519 0 O-C-N 119.659 -1.901 . . . . 0.0 111.289 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.23 -40.3 59.2 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 118.973 -2.329 . . . . 0.0 116.143 166.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 54' ' ' PHE 0.306 22.5 pt -56.56 -43.75 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.452 -2.03 . . . . 0.0 115.322 175.639 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.96 -50.12 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -73.35 -55.56 6.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.563 -1.961 . . . . 0.0 116.031 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.13 18.27 2.63 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -165.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.48 150.12 12.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.912 1.685 . . . . 0.0 112.6 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 48.3 p -82.08 170.06 15.95 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.973 -1.704 . . . . 0.0 110.75 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -56.85 -46.44 81.76 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.982 -1.074 . . . . 0.0 112.167 169.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -34.52 78.48 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.02 -39.12 89.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.839 -1.163 . . . . 0.0 112.448 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.93 -46.03 54.82 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.043 -1.661 . . . . 0.0 111.129 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -33.33 65.97 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.406 1.082 . . . . 0.0 113.154 168.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -60.71 -44.92 95.99 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.431 -0.793 . . . . 0.0 112.439 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.04 -41.95 76.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.549 -1.345 . . . . 0.0 111.689 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.52 -44.21 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.539 1.935 . . . . 0.0 114.631 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.41 -33.98 77.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.76 -1.838 . . . . 0.0 115.138 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -92.17 -28.34 17.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.062 -1.649 . . . . 0.0 113.633 -174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.63 79.98 1.94 Allowed 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.831 1.652 . . . . 0.0 109.627 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -59.07 -72.29 0.1 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.096 1.358 . . . . 0.0 113.969 -170.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.6 -30.38 56.94 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.349 2.259 . . . . 0.0 110.675 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLY . . . . . 0.51 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -66.9 -62.36 4.56 Favored Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 126.109 1.814 . . . . 0.0 112.279 -172.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.317 0.7 OUTLIER -67.1 -41.4 86.34 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.282 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -36.14 -63.99 0.35 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 117.943 2.571 . . . . 0.0 117.943 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.89 -57.75 7.53 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-O 121.931 0.74 . . . . 0.0 112.93 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.657 HG21 HG23 ' B' ' 12' ' ' ILE . 13.7 m -64.98 -24.95 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.411 -2.817 . . . . 0.0 116.237 -171.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -77.15 -21.73 53.65 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.474 -1.392 . . . . 0.0 112.763 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.07 -41.68 97.08 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.177 -1.577 . . . . 0.0 113.18 163.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.4 -49.1 58.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.866 1.666 . . . . 0.0 108.048 -173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.85 -41.93 92.51 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.58 -1.325 . . . . 0.0 113.19 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.63 -36.71 84.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.935 -1.728 . . . . 0.0 115.4 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -83.21 -18.06 40.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.1 -1.625 . . . . 0.0 114.659 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.6 m-85 -89.51 -14.2 35.75 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 122.769 1.271 . . . . 0.0 108.875 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.429 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 170.175 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.7 tt -42.11 -53.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 -161.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -40.96 98.76 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 125.872 1.669 . . . . 0.0 113.814 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.6 m -55.03 -39.7 69.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.989 -2.32 . . . . 0.0 115.9 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.47 -48.85 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.751 -1.843 . . . . 0.0 111.474 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -42.38 -58.61 2.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 130.693 3.597 . . . . 0.0 115.248 170.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.53 -33.82 73.35 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.298 25.0 mt -66.34 -33.63 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 119.164 -2.21 . . . . 0.0 112.804 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.99 -43.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.498 -2.626 . . . . 0.0 114.951 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -67.39 -43.13 82.1 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 112.107 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.584 HG13 HD11 ' B' ' 17' ' ' ILE . 3.7 t -53.24 -46.05 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.023 2.129 . . . . 0.0 115.581 168.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.09 95.59 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 121.041 -1.037 . . . . 0.0 112.271 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -14.7 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' B' ' 17' ' ' ILE . 11.0 mm -64.21 -52.54 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.974 -1.704 . . . . 0.0 111.465 167.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.44 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 1.8 mp -57.58 -38.9 75.64 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.772 -1.205 . . . . 0.0 111.406 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -72.44 -30.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.998 1.319 . . . . 0.0 111.766 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -60.87 -39.24 88.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.253 1.421 . . . . 0.0 112.458 170.272 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 3.82 51.1 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.961 2.104 . . . . 0.0 116.137 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 t 59.0 34.02 23.35 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.167 -2.208 . . . . 0.0 116.528 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -101.47 40.76 1.26 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 128.696 2.798 . . . . 0.0 111.572 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.42 0.0 OUTLIER -62.42 -23.3 66.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 176.367 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -33.87 -54.36 0.47 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 119.373 3.101 . . . . 0.0 119.373 159.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.1 -38.12 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.069 -1.644 . . . . 0.0 111.279 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -69.68 -36.58 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.046 1.338 . . . . 0.0 110.919 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 29.4 tt0 -61.71 -3.24 1.02 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.989 2.916 . . . . 0.0 118.003 -169.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -147.5 133.69 19.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.193 -2.192 . . . . 0.0 110.389 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -51.73 15.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.1 -14.73 60.6 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 118.78 -2.45 . . . . 0.0 116.68 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -80.01 -41.22 26.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -60.85 -53.03 62.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.452 1.101 . . . . 0.0 113.95 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 51' ' ' GLN . 45.0 mt -51.88 -46.04 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.313 2.245 . . . . 0.0 115.29 173.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.14 64.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.468 -2.02 . . . . 0.0 114.268 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 1.8 t80 -72.78 -43.52 62.7 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.257 1.423 . . . . 0.0 109.097 173.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.84 -50.98 67.29 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.137 1.375 . . . . 0.0 113.724 172.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.96 -38.29 90.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.131 -1.605 . . . . 0.0 115.32 173.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -50.24 -58.66 5.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 pt -75.69 -19.55 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.48 46.98 4.46 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.13 127.44 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 119.145 1.473 . . . . 0.0 109.031 166.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.0 p -108.43 153.66 22.98 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -78.75 -102.01 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.813 -1.179 . . . . 0.0 113.107 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.03 57.98 1.53 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.296 -1.502 . . . . 0.0 108.334 -169.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.21 2.22 39.28 Favored Glycine 0 N--CA 1.429 -1.789 0 N-CA-C 117.349 1.7 . . . . 0.0 117.349 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -124.72 159.07 31.72 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 119.481 1.64 . . . . 0.0 108.139 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -71.07 152.9 43.03 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 123.688 0.795 . . . . 0.0 110.863 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.55 129.59 45.72 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.103 -0.998 . . . . 0.0 109.522 -158.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -100.85 176.31 5.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 125.497 1.519 . . . . 0.0 112.467 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG2' HG21 ' A' ' 34' ' ' ILE . 17.3 mt-30 -79.14 -42.26 26.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.887 -1.758 . . . . 0.0 112.797 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -64.25 -49.97 69.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.905 -1.122 . . . . 0.0 111.813 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 48.3 m -61.84 -23.23 66.13 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.06 -47.96 59.78 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.722 1.249 . . . . 0.0 109.378 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -32.05 73.13 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.57 -1.331 . . . . 0.0 112.174 -174.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.262 0.1 OUTLIER -63.39 -40.34 96.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 168.746 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.345 11.8 pt -58.72 -49.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.63 -25.18 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 m -80.39 -61.84 1.86 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 172.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.267 13.3 pt-20 -82.73 10.82 6.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.871 2.578 . . . . 0.0 114.96 -156.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.5 mt -44.58 146.05 0.79 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.61 1.964 . . . . 0.0 113.901 170.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 p -82.61 175.22 10.34 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.2 -40.61 71.05 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.789 -1.819 . . . . 0.0 108.764 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.64 -30.01 69.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.05 1.34 . . . . 0.0 114.482 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -70.57 -37.8 74.0 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 122.818 1.294 . . . . 0.0 110.701 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.83 -37.8 23.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.805 -1.809 . . . . 0.0 107.386 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -34.07 76.6 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.051 1.34 . . . . 0.0 109.574 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.52 -37.34 82.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 119.222 0.919 . . . . 0.0 112.219 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.13 -25.23 42.96 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.794 -1.191 . . . . 0.0 111.43 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.01 -43.42 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.083 -1.636 . . . . 0.0 111.028 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -65.51 -36.74 84.72 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.601 -1.312 . . . . 0.0 113.567 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -80.26 -30.12 38.42 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.837 -1.164 . . . . 0.0 113.141 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.46 78.85 1.75 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 121.7 2.046 . . . . 0.0 106.079 -165.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -57.19 -69.52 0.16 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.111 -0.993 . . . . 0.0 112.914 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.99 -46.44 84.56 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.946 -1.096 . . . . 0.0 112.891 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.56 -63.56 5.17 Favored Glycine 0 N--CA 1.431 -1.687 0 C-N-CA 125.491 1.52 . . . . 0.0 114.663 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -77.24 -30.11 54.38 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.284 -166.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.16 -52.97 48.58 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 120.568 1.531 . . . . 0.0 114.224 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.95 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 123.374 0.511 . . . . 0.0 113.72 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.96 -24.39 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.721 -2.046 . . . . 0.0 114.74 -169.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -74.19 -28.79 61.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.348 -1.47 . . . . 0.0 114.722 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -58.2 -40.9 82.78 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.652 2.478 . . . . 0.0 116.031 164.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.02 -58.66 4.14 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.46 -38.52 74.6 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.633 -1.292 . . . . 0.0 114.309 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.91 -58.74 4.4 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 119.257 0.935 . . . . 0.0 113.455 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.93 -28.7 70.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.2 m-30 -76.5 -1.23 26.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.245 -1.534 . . . . 0.0 112.307 -172.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.251 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.437 0 C-N-CA 125.074 1.349 . . . . 0.0 110.129 171.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -69.64 -36.57 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.714 2.406 . . . . 0.0 111.577 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -40.86 73.35 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.229 -1.35 . . . . 0.0 113.775 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -75.47 -41.5 55.41 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 123.175 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.3 t -53.51 -41.61 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 120.203 -1.561 . . . . 0.0 114.286 170.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.81 -50.11 74.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.445 2.298 . . . . 0.0 112.746 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -70.32 -36.69 74.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -73.3 -25.16 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 118.963 -2.336 . . . . 0.0 114.309 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.2 mt -53.88 -59.84 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.92 -2.363 . . . . 0.0 112.759 168.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -60.75 -38.18 84.31 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.62 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -58.47 -43.59 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.996 1.718 . . . . 0.0 113.807 169.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.37 -34.88 65.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.835 -2.416 . . . . 0.0 112.822 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.309 52.2 p -62.17 -24.08 66.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 167.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' A' ' 17' ' ' ILE . 4.2 mm -58.94 -49.61 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.286 1.435 . . . . 0.0 112.874 167.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.79 -41.84 87.62 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -37.34 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.55 -2.594 . . . . 0.0 114.466 169.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -50.23 -41.65 50.4 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.121 -2.237 . . . . 0.0 115.395 168.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -91.83 11.11 25.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.11 -1.619 . . . . 0.0 113.582 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.274 2.3 t 52.64 49.43 20.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 127.058 2.143 . . . . 0.0 115.039 -174.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -125.2 40.58 3.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.544 1.938 . . . . 0.0 108.937 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -15.84 62.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.549 -1.345 . . . . 0.0 113.303 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.15 -36.44 1.18 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 131.587 3.955 . . . . 0.0 116.947 162.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mt -68.01 -39.96 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-O 122.797 1.284 . . . . 0.0 111.432 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.51 -34.63 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.255 1.822 . . . . 0.0 113.495 -165.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 12.3 pt-20 -54.75 -20.26 8.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.554 3.539 . . . . 0.0 120.554 -172.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -117.51 133.46 55.94 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.442 -1.411 . . . . 0.0 107.911 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' HB ' ' B' ' 88' ' ' THR . 38.0 mtm-85 -49.61 -52.42 30.5 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 123.491 1.615 . . . . 0.0 113.396 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.03 90.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -169.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -56.33 -37.73 70.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.78 -51.4 65.0 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.607 1.163 . . . . 0.0 112.932 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.83 -36.1 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 129.085 2.954 . . . . 0.0 111.542 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.29 69.52 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.093 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.68 -41.52 66.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 165.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.04 -32.28 69.6 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.138 -2.226 . . . . 0.0 114.97 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.85 -38.67 61.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.061 -2.274 . . . . 0.0 111.788 171.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -64.21 -42.4 96.62 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.726 2.411 . . . . 0.0 113.779 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 pt -90.71 -23.27 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 111.955 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.58 53.86 4.19 Favored Glycine 0 N--CA 1.43 -1.705 0 CA-C-O 116.834 -2.092 . . . . 0.0 116.829 -173.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.82 125.71 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 1 CA-C-N 124.379 4.09 . . . . 0.0 105.763 164.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -107.14 158.12 17.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.581 -1.324 . . . . 0.0 110.586 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -73.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.469 -1.394 . . . . 0.0 110.984 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -94.89 48.68 1.2 Allowed 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.67 -1.894 . . . . 0.0 110.012 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.92 12.53 75.11 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 117.009 1.563 . . . . 0.0 117.009 -167.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -127.35 152.14 47.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.452 -1.616 . . . . 0.0 110.331 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -66.26 144.26 56.71 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 111.614 -168.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 128.98 34.91 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.18 1.467 . . . . 0.0 114.629 -168.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -98.21 158.71 15.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.687 1.595 . . . . 0.0 109.491 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -72.59 -36.02 68.05 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.778 -1.201 . . . . 0.0 113.712 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -72.28 -41.35 66.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.278 1.431 . . . . 0.0 113.569 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -78.68 -20.49 50.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.363 -1.461 . . . . 0.0 112.176 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.87 -47.78 81.88 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 124.236 1.969 . . . . 0.0 110.862 164.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.57 -28.41 64.87 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.714 -1.241 . . . . 0.0 112.617 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.31 14.7 ptpt -58.74 -51.72 68.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 159.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.266 14.0 pt -60.42 -42.0 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.993 -1.692 . . . . 0.0 114.128 -171.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 -31.45 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -74.38 -55.74 5.65 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.92 0.79 12.32 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -158.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.81 132.55 52.65 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.366 1.466 . . . . 0.0 113.679 172.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.5 p -79.87 171.96 14.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.936 -1.103 . . . . 0.0 110.11 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -58.2 -39.41 78.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.849 -1.157 . . . . 0.0 112.636 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.45 -37.84 88.92 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -71.11 -35.19 71.68 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.416 -2.052 . . . . 0.0 112.527 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.69 -41.34 68.77 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.791 -1.818 . . . . 0.0 110.806 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' B' ' 67' ' ' LYS . 3.3 mmmp? -54.68 -34.38 62.21 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 165.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.5 m -63.08 -48.7 77.53 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.633 0.73 . . . . 0.0 111.676 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.86 -43.65 92.29 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.681 -1.887 . . . . 0.0 114.021 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.19 -33.71 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.301 1.84 . . . . 0.0 114.921 172.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.57 -33.75 73.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.269 -1.519 . . . . 0.0 113.718 172.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -100.85 -29.49 12.21 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.62 -1.3 . . . . 0.0 112.608 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.33 80.15 1.92 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.93 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.9 -70.01 0.28 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.973 0.909 . . . . 0.0 112.391 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.71 -55.02 38.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.252 -1.53 . . . . 0.0 112.159 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.57 -67.21 0.74 Allowed Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 121.63 3.412 . . . . 0.0 121.63 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -31.78 44.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.692 -1.476 . . . . 0.0 109.612 -169.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -58.7 -48.26 81.75 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 120.04 1.291 . . . . 0.0 112.093 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -70.85 0.92 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 171.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.266 0.0 OUTLIER -66.99 -19.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 119.101 -2.411 . . . . 0.0 116.961 -172.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.18 -23.49 61.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 120.721 1.6 . . . . 0.0 113.839 170.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -61.4 -50.31 73.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.432 -2.043 . . . . 0.0 112.208 165.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -62.33 -54.64 37.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.481 1.512 . . . . 0.0 110.31 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -48.59 -42.49 34.06 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.758 1.623 . . . . 0.0 114.444 173.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.53 -41.99 65.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.959 -1.088 . . . . 0.0 110.505 -172.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -81.27 -18.07 47.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.443 -1.41 . . . . 0.0 113.532 -173.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.438 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 23.1 m-85 -89.96 -6.79 55.3 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 109.553 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' B' ' 30' ' ' ARG 0.299 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.219 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 tt -37.34 -37.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 C-N-CA 129.978 3.311 . . . . 0.0 118.185 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -67.46 -43.94 79.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 100.0 m -70.46 -43.3 70.13 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.53 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.31 -39.91 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 121.448 1.931 . . . . 0.0 108.267 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.1 ttt180 -64.33 -37.58 88.0 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 120.746 3.609 . . . . 0.0 120.746 171.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.65 -31.94 70.33 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.746 1.612 . . . . 0.0 110.895 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.46 -24.02 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 120.392 -1.442 . . . . 0.0 114.813 171.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 9' ' ' ARG . 13.6 mt -64.49 -42.68 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-N 119.897 1.226 . . . . 0.0 112.535 175.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.8 p -64.29 -52.99 55.84 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.949 -1.094 . . . . 0.0 111.844 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG13 HD11 ' B' ' 17' ' ' ILE . 9.4 t -45.67 -50.37 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.729 2.412 . . . . 0.0 115.641 170.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.65 78.79 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.733 -2.479 . . . . 0.0 113.805 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 p -69.69 -18.94 63.59 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.615 HD11 HG13 ' B' ' 14' ' ' VAL . 36.7 mm -61.42 -53.37 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.999 1.319 . . . . 0.0 110.944 168.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.39 -43.71 83.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.074 0.95 . . . . 0.0 111.863 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.6 mt -68.28 -32.16 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 121.359 -0.838 . . . . 0.0 113.142 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.45 78.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.021 -1.674 . . . . 0.0 113.106 169.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.51 7.84 36.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.539 1.536 . . . . 0.0 113.402 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 62.04 28.25 17.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -97.92 44.15 1.05 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 128.196 2.598 . . . . 0.0 112.421 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -65.7 -18.22 65.17 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -52.73 -30.34 31.98 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 168.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 mt -72.85 -49.15 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 125.316 1.447 . . . . 0.0 110.717 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.22 -43.93 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 125.958 1.703 . . . . 0.0 113.507 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.9 tm-20 -51.11 -17.4 0.64 Allowed 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 129.585 3.154 . . . . 0.0 118.782 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.78 123.11 39.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.215 -2.178 . . . . 0.0 110.307 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -40.4 -46.91 2.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 170.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -27.12 22.14 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 118.901 -2.374 . . . . 0.0 111.751 -167.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.71 -35.27 70.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.165 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -67.17 -50.42 61.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.611 1.164 . . . . 0.0 110.893 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -54.82 -41.48 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.95 2.1 . . . . 0.0 113.542 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.5 84.03 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 113.89 -3.124 . . . . 0.0 115.045 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -54.99 -37.57 66.73 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 128.01 2.524 . . . . 0.0 114.563 166.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.6 mt -54.29 -43.98 71.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.449 -2.657 . . . . 0.0 114.47 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -75.22 -14.79 60.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.39 -50.6 17.91 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.767 1.227 . . . . 0.0 113.673 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -95.44 -12.04 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.264 -1.523 . . . . 0.0 112.76 -170.389 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.9 30.68 7.38 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 126.787 2.137 . . . . 0.0 115.586 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 HD11 ' A' ' 40' ' ' ILE . 77.0 t -70.82 113.15 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 118.448 1.124 . . . . 0.0 110.078 166.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -108.7 160.76 15.69 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.343 1.857 . . . . 0.0 108.3 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.267 9.3 t60 -83.47 -97.59 0.05 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.341 -1.474 . . . . 0.0 112.468 170.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.14 51.51 2.06 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.705 -1.872 . . . . 0.0 110.508 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.77 3.11 54.07 Favored Glycine 0 N--CA 1.431 -1.687 0 O-C-N 119.822 -1.799 . . . . 0.0 117.53 -172.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -114.62 150.98 34.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.825 1.65 . . . . 0.0 109.22 -176.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.43 129.72 41.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.751 1.621 . . . . 0.0 113.08 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.98 126.5 31.12 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.297 1.039 . . . . 0.0 113.048 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.11 161.8 13.37 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.875 1.27 . . . . 0.0 112.839 -167.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.47 -39.96 73.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.997 -1.689 . . . . 0.0 113.157 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -77.18 -36.59 54.92 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 121.203 -0.935 . . . . 0.0 112.707 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -88.08 -13.93 40.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 123.814 0.845 . . . . 0.0 111.602 -174.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.01 -51.55 66.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.256 -1.528 . . . . 0.0 107.954 161.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -63.33 -30.53 71.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.126 -1.609 . . . . 0.0 114.381 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.11 -44.25 89.37 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.696 -1.877 . . . . 0.0 113.826 170.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.424 46.3 pt -53.62 -49.96 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 m -83.13 -32.31 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.903 1.811 . . . . 0.0 114.102 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -88.42 -53.57 4.61 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 9.9 pt-20 -88.1 17.65 4.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.028 2.131 . . . . 0.0 113.612 -168.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.16 152.32 4.41 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 169.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -82.98 168.75 16.71 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 112.069 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.37 -39.53 90.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.364 -1.46 . . . . 0.0 111.74 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.21 -37.5 87.48 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.93 -36.98 85.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.012 -1.68 . . . . 0.0 112.971 173.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -72.93 -44.86 60.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.41 1.484 . . . . 0.0 109.997 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -35.19 71.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.801 0.84 . . . . 0.0 113.196 169.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -63.8 -51.44 64.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.727 -1.233 . . . . 0.0 113.403 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.3 -48.41 79.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.647 -1.283 . . . . 0.0 112.122 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.59 -42.71 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.682 2.393 . . . . 0.0 113.132 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -58.61 -25.09 62.29 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.979 -1.7 . . . . 0.0 114.055 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -111.71 -39.14 4.67 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 122.101 2.228 . . . . 0.0 110.865 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -113.33 56.37 0.69 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.324 1.45 . . . . 0.0 109.978 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -47.39 -58.58 4.0 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.64 -44.07 52.24 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.621 -1.925 . . . . 0.0 111.756 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.66 -51.86 18.37 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 124.313 0.959 . . . . 0.0 111.374 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.389 0.0 OUTLIER -73.33 -46.19 50.89 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 116.52 -1.705 . . . . 0.0 110.007 -175.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -45.51 -48.9 14.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 122.685 2.493 . . . . 0.0 116.741 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.94 2.66 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.515 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.2 m -65.68 -17.96 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 120.162 -1.787 . . . . 0.0 115.521 -171.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.22 -41.03 67.35 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.446 -1.409 . . . . 0.0 114.078 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -51.01 -41.54 59.84 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 165.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.9 -44.91 68.76 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.237 1.415 . . . . 0.0 108.799 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.71 -53.71 54.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.156 -1.59 . . . . 0.0 110.219 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -53.87 -42.99 69.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 ptp -82.69 -26.18 32.3 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.665 -173.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.1 m-30 -83.25 -17.16 43.64 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.733 -1.229 . . . . 0.0 110.756 -175.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.349 5.9 t . . . . . 0 N--CA 1.43 -1.447 0 C-N-CA 124.559 1.144 . . . . 0.0 111.475 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 p30 . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.39 -40.95 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.02 -39.31 66.03 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.005 2.122 . . . . 0.0 111.579 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.444 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -63.76 -59.31 4.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.629 2.371 . . . . 0.0 111.802 176.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.45 -35.13 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.736 2.415 . . . . 0.0 112.058 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -59.4 -60.35 3.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 130.708 3.603 . . . . 0.0 111.551 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.36 -27.02 64.97 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.477 -1.389 . . . . 0.0 113.732 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.8 -39.03 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 113.011 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -53.38 -47.69 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 130.681 3.592 . . . . 0.0 114.342 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -72.23 -41.91 66.32 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.743 -1.223 . . . . 0.0 112.522 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 17' ' ' ILE . 11.1 t -54.59 -42.0 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 O-C-N 119.715 -1.866 . . . . 0.0 113.75 167.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.43 63.25 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.08 -1.637 . . . . 0.0 115.069 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.4 p -82.72 -10.37 58.94 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.089 -2.882 . . . . 0.0 112.76 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.763 HD11 HG13 ' A' ' 14' ' ' VAL . 9.9 mm -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 CA-C-N 120.16 1.346 . . . . 0.0 109.384 163.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.26 -33.92 75.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.67 -1.269 . . . . 0.0 114.264 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 29.1 mt -77.69 -25.82 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.109 -1.619 . . . . 0.0 112.066 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -39.54 91.21 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.127 1.771 . . . . 0.0 110.2 170.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.6 8.74 23.84 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.38 -2.075 . . . . 0.0 114.037 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.331 8.1 t 62.47 32.26 16.74 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 175.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -111.99 42.11 1.82 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.284 2.233 . . . . 0.0 111.32 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -60.67 -20.82 61.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 175.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.64 -43.24 0.87 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 155.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.61 -42.24 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.105 -1.622 . . . . 0.0 111.679 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.3 -32.24 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.733 1.613 . . . . 0.0 113.0 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 41.3 tt0 -51.07 -20.49 1.45 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 128.641 2.777 . . . . 0.0 117.926 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -133.56 137.05 45.33 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.922 -2.361 . . . . 0.0 112.543 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -53.8 12.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.19 1.796 . . . . 0.0 113.074 173.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.57 61.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.078 -2.889 . . . . 0.0 116.393 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.62 -43.43 47.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.077 -1.639 . . . . 0.0 110.171 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.08 -61.59 2.06 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.696 1.999 . . . . 0.0 114.67 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 54' ' ' PHE . 50.2 mt -51.04 -39.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.574 3.149 . . . . 0.0 114.609 173.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.11 91.88 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.008 -1.057 . . . . 0.0 112.966 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -33.17 54.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.746 1.618 . . . . 0.0 109.713 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.18 -43.61 78.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.958 -1.089 . . . . 0.0 113.094 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -76.39 -17.58 59.29 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.764 -1.835 . . . . 0.0 115.653 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.13 -66.75 0.5 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.467 -1.396 . . . . 0.0 111.544 165.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.279 0.2 OUTLIER -81.36 -7.82 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -170.63 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 53.38 3.37 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.81 68.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 120.336 2.068 . . . . 0.0 108.515 169.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.27 44.2 p -96.53 149.32 21.89 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.769 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.281 10.3 t-160 -87.29 -80.02 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 117.335 -1.746 . . . . 0.0 108.75 -152.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.33 44.49 1.16 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.868 1.318 . . . . 0.0 109.539 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.03 1.5 48.83 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-O 116.405 -2.331 . . . . 0.0 116.167 -165.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -126.54 147.33 49.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 121.477 2.638 . . . . 0.0 105.479 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -56.69 135.37 55.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.235 1.017 . . . . 0.0 112.643 -166.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -91.09 131.01 36.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -162.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.67 164.38 11.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.642 -1.286 . . . . 0.0 111.506 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.09 -29.96 69.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.257 -2.152 . . . . 0.0 116.292 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -80.67 -19.22 45.69 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 125.901 2.762 . . . . 0.0 114.566 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -88.58 -32.87 17.91 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.898 -1.955 . . . . 0.0 107.759 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' B' ' 34' ' ' ILE . 61.6 t80 -58.19 -51.34 70.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 167.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -69.69 -28.25 65.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.695 -1.878 . . . . 0.0 113.204 -172.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -62.01 -45.31 94.15 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 165.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.444 HD13 HG21 ' B' ' 7' ' ' THR 0.284 25.4 pt -60.75 -42.95 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 121.113 1.779 . . . . 0.0 115.588 -177.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.66 -44.7 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.467 1.127 . . . . 0.0 112.412 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -68.85 -60.12 2.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.367 -1.458 . . . . 0.0 113.869 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.78 8.79 13.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 115.643 -2.423 . . . . 0.0 115.328 -155.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.3 mt -38.04 141.66 0.2 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 129.461 3.104 . . . . 0.0 114.593 159.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.9 p -83.3 175.84 9.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.231 -1.543 . . . . 0.0 110.875 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.89 -41.66 96.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.358 -1.464 . . . . 0.0 111.565 166.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -57.99 -37.44 74.25 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.59 -29.1 66.55 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.263 1.506 . . . . 0.0 113.111 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -85.87 -35.3 20.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.224 1.41 . . . . 0.0 110.914 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -60.74 -41.21 94.94 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.608 -1.308 . . . . 0.0 111.785 167.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 96.5 m -55.35 -44.64 76.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.536 1.134 . . . . 0.0 113.109 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.91 -31.39 56.66 Favored 'General case' 0 N--CA 1.432 -1.369 0 O-C-N 120.72 -1.237 . . . . 0.0 111.806 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.05 -39.71 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.397 -2.065 . . . . 0.0 114.295 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -66.32 -43.82 85.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.608 -1.308 . . . . 0.0 113.227 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -87.96 -35.88 17.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.904 -1.123 . . . . 0.0 112.802 -168.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -123.64 60.69 1.08 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.124 1.44 . . . . 0.0 107.311 -163.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -54.77 -71.46 0.08 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.12 -2.238 . . . . 0.0 116.536 -157.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.92 -35.49 74.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.249 -1.532 . . . . 0.0 112.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.26 -54.95 17.73 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.783 1.659 . . . . 0.0 113.735 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.431 ' HA ' HG22 ' B' ' 80' ' ' VAL . 13.8 t80 -75.77 -38.45 58.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.962 -1.316 . . . . 0.0 110.23 -174.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -55.5 -46.44 76.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.131 -2.231 . . . . 0.0 115.085 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -65.64 3.25 Favored Glycine 0 N--CA 1.429 -1.777 0 O-C-N 120.7 -1.25 . . . . 0.0 114.608 166.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' B' ' 77' ' ' PHE . 15.5 m -66.1 -23.32 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.205 -1.762 . . . . 0.0 115.081 -170.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -81.66 -12.55 58.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.47 -1.394 . . . . 0.0 113.137 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.55 -44.81 81.34 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 118.925 -2.36 . . . . 0.0 110.61 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.06 -53.88 38.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.921 2.488 . . . . 0.0 108.818 -174.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.91 -34.22 74.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.294 1.838 . . . . 0.0 111.49 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -78.15 -35.51 48.79 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 119.394 0.997 . . . . 0.0 110.501 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 13.2 ptp -80.62 -21.77 41.21 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 123.331 1.538 . . . . 0.0 112.768 -172.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.6 m-85 -88.18 6.14 38.04 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.513 -1.367 . . . . 0.0 113.075 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.43 -1.444 0 O-C-N 120.858 -1.152 . . . . 0.0 108.498 168.669 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 . . . . . 0 N--CA 1.43 -1.464 0 CA-C-O 120.956 0.407 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.17 -38.78 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.52 -46.03 63.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.36 1.864 . . . . 0.0 113.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.2 m -80.0 -37.3 34.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.909 -1.119 . . . . 0.0 112.238 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.51 -46.62 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-O 117.826 -1.083 . . . . 0.0 111.186 167.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -51.45 -41.41 60.85 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 118.808 2.892 . . . . 0.0 118.808 167.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.91 -35.9 64.69 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 121.622 2.01 . . . . 0.0 115.406 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.13 -33.8 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 171.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.43 -53.48 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 118.05 -2.906 . . . . 0.0 115.12 167.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.406 HG21 HG22 ' B' ' 42' ' ' VAL . 15.0 p -63.42 -49.53 73.37 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.311 -0.868 . . . . 0.0 111.48 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HD11 ' B' ' 17' ' ' ILE . 3.1 t -58.03 -40.55 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.46 1.504 . . . . 0.0 111.574 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.84 69.48 Favored 'General case' 0 N--CA 1.43 -1.435 2 O-C-N 113.478 -5.764 . . . . 0.0 110.055 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.303 94.8 p -67.57 -11.08 57.26 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 175.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.628 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -70.25 -48.86 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 125.636 1.574 . . . . 0.0 109.292 160.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.85 -35.1 74.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.788 -1.82 . . . . 0.0 109.671 172.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.76 -32.56 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 122.016 2.189 . . . . 0.0 113.891 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -54.75 -43.37 72.66 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.132 1.787 . . . . 0.0 112.785 173.054 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.438 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.365 3.8 t 75.22 49.8 0.08 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 124.362 2.03 . . . . 0.0 112.277 -176.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -111.46 37.6 2.84 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 128.971 2.908 . . . . 0.0 106.236 164.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.21 -8.41 53.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.96 -44.56 1.72 Allowed 'General case' 0 N--CA 1.429 -1.507 1 C-N-CA 133.27 4.628 . . . . 0.0 117.011 156.366 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -66.66 -51.91 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.613 -1.929 . . . . 0.0 112.247 168.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -51.13 -39.11 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 23.6 tt0 -54.11 -25.21 20.84 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.39 3.076 . . . . 0.0 117.301 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -113.2 127.24 56.12 Favored 'General case' 0 N--CA 1.429 -1.523 0 O-C-N 119.456 -2.027 . . . . 0.0 112.76 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -44.14 -51.9 7.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.387 2.275 . . . . 0.0 114.618 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.48 27.19 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.663 -1.273 . . . . 0.0 113.308 -168.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.61 -26.6 64.52 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 120.091 -1.631 . . . . 0.0 110.738 173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.79 -53.15 23.36 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.045 1.748 . . . . 0.0 113.958 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.82 -38.89 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 128.334 2.654 . . . . 0.0 115.978 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.99 95.55 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.885 -1.76 . . . . 0.0 110.89 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.5 -31.2 69.31 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 120.491 -1.381 . . . . 0.0 113.816 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.78 -35.18 75.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 123.272 2.76 . . . . 0.0 114.514 171.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -75.84 -22.78 55.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.906 -1.746 . . . . 0.0 113.104 171.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.83 -50.7 16.22 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -83.95 -30.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.288 -2.133 . . . . 0.0 112.973 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.28 45.18 2.62 Favored Glycine 0 N--CA 1.431 -1.647 0 C-N-CA 125.546 1.545 . . . . 0.0 115.961 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.63 109.69 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.793 1.282 . . . . 0.0 108.741 164.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -100.78 152.72 20.16 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.914 -1.742 . . . . 0.0 107.441 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -82.62 -90.37 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.892 -1.755 . . . . 0.0 109.433 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.24 45.58 1.28 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.165 -1.584 . . . . 0.0 111.194 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.97 13.3 82.74 Favored Glycine 0 N--CA 1.43 -1.704 0 C-N-CA 117.378 -2.344 . . . . 0.0 114.823 -175.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -131.0 153.82 48.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 120.678 2.239 . . . . 0.0 111.058 172.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -62.89 148.07 48.36 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 123.853 3.024 . . . . 0.0 115.161 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 125.32 36.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.375 -164.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -101.12 172.21 7.15 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.312 -166.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.19 -46.41 50.74 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -61.13 -44.55 97.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.354 1.062 . . . . 0.0 110.952 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -79.61 -20.71 46.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 43.9 t80 -61.76 -54.69 39.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 124.596 1.159 . . . . 0.0 109.956 162.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -62.37 -27.15 68.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -173.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.329 14.7 ptpt -66.13 -48.9 69.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.217 -0.927 . . . . 0.0 113.182 171.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.35 25.3 pt -58.55 -47.01 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 54' ' ' PHE . 35.5 m -79.17 -34.99 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m -73.21 -57.81 3.76 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.291 3.0 pt-20 -81.25 9.16 7.41 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.544 -2.597 . . . . 0.0 117.326 -166.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -46.58 139.25 5.25 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.949 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.7 p -77.23 164.02 25.99 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.099 -1.626 . . . . 0.0 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -55.54 -38.64 69.55 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.413 -1.429 . . . . 0.0 113.069 174.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.29 -26.56 63.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.43 -37.2 71.48 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.987 -1.696 . . . . 0.0 108.507 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -72.65 -48.23 41.02 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 121.935 0.874 . . . . 0.0 110.485 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -60.71 -24.94 66.05 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -65.93 -45.86 80.32 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.061 -1.649 . . . . 0.0 110.682 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.21 -26.41 65.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.327 -1.483 . . . . 0.0 114.312 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.3 mm -71.96 -39.45 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 117.64 -1.624 . . . . 0.0 108.05 171.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.87 -31.59 56.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 114.018 -3.073 . . . . 0.0 119.078 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -75.13 -39.44 60.52 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.489 -2.007 . . . . 0.0 114.216 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -123.88 73.35 1.21 Allowed 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.817 -1.802 . . . . 0.0 110.35 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -55.64 -72.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -64.92 -53.25 49.41 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.174 -1.579 . . . . 0.0 110.968 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.18 -64.89 3.99 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-O 118.107 -1.385 . . . . 0.0 116.556 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -73.68 -16.31 61.21 Favored 'General case' 0 N--CA 1.43 -1.473 1 CA-C-N 124.534 4.167 . . . . 0.0 114.567 -171.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.21 -55.89 28.22 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 116.174 -2.211 . . . . 0.0 112.238 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.38 7.65 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 119.918 -1.739 . . . . 0.0 114.099 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.75 -16.8 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 O-C-N 116.432 -3.981 . . . . 0.0 112.667 -171.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -76.14 -28.34 57.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 121.23 1.832 . . . . 0.0 113.325 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -50.24 -45.92 54.4 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.662 1.574 . . . . 0.0 113.128 166.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.41 -61.31 1.97 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.56 1.944 . . . . 0.0 107.455 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -50.03 -49.08 52.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 124.691 3.405 . . . . 0.0 117.597 173.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.63 -47.77 78.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 120.505 1.502 . . . . 0.0 114.114 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 ptp -74.81 -20.24 59.86 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.486 -1.384 . . . . 0.0 114.658 -176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 15.1 m-85 -85.33 -8.9 58.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.148 -1.595 . . . . 0.0 109.906 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.428 0 CA-C-N 121.963 2.165 . . . . 0.0 108.167 166.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 tt -56.36 -39.71 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 124.604 1.162 . . . . 0.0 111.796 170.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -58.14 -33.82 69.59 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.837 1.255 . . . . 0.0 113.976 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -46.25 90.7 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.243 1.496 . . . . 0.0 113.013 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.484 HG21 HD11 ' B' ' 61' ' ' LEU . 5.0 t -62.58 -42.3 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.304 -1.498 . . . . 0.0 111.588 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -51.04 -53.52 32.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.726 3.21 . . . . 0.0 113.793 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.85 -49.88 67.49 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.436 3.017 . . . . 0.0 114.581 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.268 30.5 mt -75.87 -19.54 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 112.046 -2.343 . . . . 0.0 112.343 -169.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.599 HG23 HG21 ' B' ' 80' ' ' VAL . 12.9 mt -63.64 -58.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.155 2.582 . . . . 0.0 111.121 172.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -68.09 -35.67 78.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.4 -41.81 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-O 124.801 2.239 . . . . 0.0 116.581 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -65.44 -27.9 68.85 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.189 -2.819 . . . . 0.0 117.21 171.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.295 13.3 p -80.08 -16.33 55.25 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.457 -2.027 . . . . 0.0 108.405 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.726 HD11 HG13 ' A' ' 14' ' ' VAL . 13.1 mm -58.77 -49.73 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-O 124.148 1.928 . . . . 0.0 113.333 165.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.81 -29.63 68.84 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 128.216 3.865 . . . . 0.0 118.568 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.284 13.5 mt -68.42 -39.09 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 1 O-C-N 115.898 -4.251 . . . . 0.0 114.118 167.795 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.9 68.3 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.835 -1.791 . . . . 0.0 114.393 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -81.52 -2.22 49.02 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.914 -1.741 . . . . 0.0 115.314 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.0 t 81.0 31.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -122.04 55.34 1.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-O 123.618 1.675 . . . . 0.0 107.569 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.274 0.0 OUTLIER -65.7 -17.57 64.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.805 170.022 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.92 -33.35 36.85 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.75 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 117.122 -3.486 . . . . 0.0 113.678 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.26 -37.74 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.964 1.706 . . . . 0.0 113.388 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 28.3 tt0 -56.94 -14.32 3.45 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.182 3.03 . . . . 0.0 119.182 -174.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.07 154.94 42.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.536 -1.978 . . . . 0.0 109.576 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -65.53 -49.74 67.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.22 36.68 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.869 -1.769 . . . . 0.0 112.539 -158.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.91 -33.8 70.97 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.39 -58.71 7.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.967 2.107 . . . . 0.0 112.71 169.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt -50.99 -43.95 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 130.664 3.585 . . . . 0.0 113.781 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.87 77.72 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.827 -1.171 . . . . 0.0 113.809 171.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.97 -27.88 54.92 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 112.782 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.76 -39.26 73.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.476 -0.765 . . . . 0.0 110.881 166.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -72.22 -30.67 65.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.218 -1.551 . . . . 0.0 112.372 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.4 -63.22 1.19 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 120.253 1.388 . . . . 0.0 112.24 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.43 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -82.79 -18.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.602 -169.031 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.47 50.94 3.43 Favored Glycine 0 N--CA 1.43 -1.747 0 O-C-N 120.949 -1.094 . . . . 0.0 112.633 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.43 HG23 HD11 ' B' ' 40' ' ' ILE . 20.2 t -79.73 84.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-O 124.356 2.027 . . . . 0.0 109.91 160.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -97.99 119.79 37.23 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.064 -1.647 . . . . 0.0 106.949 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.12 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.485 -1.384 . . . . 0.0 112.549 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.31 39.85 0.54 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 117.761 -3.087 . . . . 0.0 114.001 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.71 7.64 88.09 Favored Glycine 0 N--CA 1.43 -1.726 0 O-C-N 119.789 -1.819 . . . . 0.0 114.479 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -129.32 144.11 51.11 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.381 -1.658 . . . . 0.0 110.364 -168.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.315 61.8 mttp -60.87 144.92 51.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.1 124.68 41.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -164.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -94.59 164.26 13.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.051 1.341 . . . . 0.0 109.585 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.54 -39.95 77.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.32 -1.487 . . . . 0.0 113.289 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.09 -43.33 74.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.669 1.188 . . . . 0.0 112.797 171.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -70.51 -27.72 64.4 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.333 -1.479 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.29 -52.25 62.77 Favored 'General case' 0 N--CA 1.43 -1.472 1 C-N-CA 111.097 -4.241 . . . . 0.0 117.856 168.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . 0.263 33.5 ttt-85 -54.3 -23.34 14.76 Favored 'General case' 0 N--CA 1.43 -1.467 2 C-N-CA 109.871 -4.731 . . . . 0.0 121.889 179.849 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -78.17 -39.58 40.4 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.342 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.42 -35.7 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.231 1.832 . . . . 0.0 109.121 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.93 -39.11 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 113.703 -3.199 . . . . 0.0 114.492 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -74.45 -35.63 63.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 113.97 -3.092 . . . . 0.0 113.749 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.7 -5.68 55.67 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -165.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 HG21 ' B' ' 8' ' ' VAL . 28.9 mt -50.79 129.05 22.37 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.103 1.361 . . . . 0.0 112.397 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -74.06 175.04 7.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.161 0.984 . . . . 0.0 110.836 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.2 -40.53 90.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.569 -1.957 . . . . 0.0 109.625 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.43 -42.59 96.4 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 175.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.16 -36.6 82.34 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.944 -1.098 . . . . 0.0 112.344 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.39 -37.97 31.23 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.934 -1.729 . . . . 0.0 110.012 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 120.233 1.379 . . . . 0.0 109.623 170.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.2 m -60.97 -45.48 94.58 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 124.202 1.954 . . . . 0.0 113.113 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.24 -33.91 74.29 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 112.989 -1.914 . . . . 0.0 115.558 169.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.79 -40.61 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 121.235 1.834 . . . . 0.0 110.498 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.2 -42.69 95.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.264 -2.148 . . . . 0.0 114.439 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.96 -50.28 8.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.817 0.818 . . . . 0.0 109.205 -177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -107.94 79.71 1.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.954 1.835 . . . . 0.0 110.86 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.69 -64.07 1.08 Allowed 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.307 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -73.78 -45.65 50.31 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.685 -1.259 . . . . 0.0 110.768 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.48 -61.34 6.01 Favored Glycine 0 N--CA 1.429 -1.783 0 C-N-CA 128.408 2.908 . . . . 0.0 109.956 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.22 -39.26 25.66 Favored 'General case' 0 N--CA 1.428 -1.529 1 C-N-CA 110.166 -4.614 . . . . 0.0 117.33 -172.746 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.95 -41.01 77.5 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.441 1.473 . . . . 0.0 114.001 -171.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.26 -60.37 7.23 Favored Glycine 0 N--CA 1.431 -1.636 0 O-C-N 120.124 -1.61 . . . . 0.0 114.277 170.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.599 HG21 HG23 ' B' ' 12' ' ' ILE . 9.4 m -63.38 -26.92 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.233 -1.745 . . . . 0.0 114.029 -172.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -74.73 -24.61 58.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.169 2.188 . . . . 0.0 114.083 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -60.33 -46.71 88.93 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 116.09 -2.244 . . . . 0.0 112.157 160.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -66.47 -55.42 15.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.058 0.943 . . . . 0.0 111.691 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -46.31 -52.88 11.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.956 1.702 . . . . 0.0 113.913 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.4 -48.98 77.33 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.501 1.521 . . . . 0.0 113.113 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -72.52 -26.37 61.73 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.3 m-85 -82.81 -3.92 57.33 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.717 -1.239 . . . . 0.0 113.539 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.497 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 160.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 120.998 0.428 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 tt -41.32 -49.5 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 129.315 3.046 . . . . 0.0 117.541 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.45 -37.87 8.34 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 128.309 2.644 . . . . 0.0 115.242 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.6 m -89.22 -38.27 14.37 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.446 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.91 -49.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-O 123.055 1.407 . . . . 0.0 110.869 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -46.39 -58.09 4.05 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 128.592 2.757 . . . . 0.0 114.222 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.4 -20.52 60.72 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -76.53 -35.06 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.197 -2.189 . . . . 0.0 110.541 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -57.54 -52.64 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.717 2.007 . . . . 0.0 112.843 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.292 5.9 p -55.04 -50.35 69.3 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.425 -1.422 . . . . 0.0 114.394 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.622 HG13 HD11 ' B' ' 17' ' ' ILE . 2.9 t -45.56 -53.34 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.253 2.221 . . . . 0.0 115.914 162.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.63 74.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 111.011 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.27 52.5 p -71.33 -17.44 62.44 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 168.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 17' ' ' ILE . 3.2 mm -65.88 -46.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 119.053 -2.28 . . . . 0.0 110.632 170.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -30.92 71.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.594 -1.316 . . . . 0.0 112.048 176.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.254 91.7 mt -76.47 -28.32 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 120.14 -1.6 . . . . 0.0 112.735 173.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -60.93 -45.75 93.45 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 125.592 1.557 . . . . 0.0 111.105 167.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -90.08 4.76 49.36 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 66.97 51.74 0.94 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 123.164 1.459 . . . . 0.0 114.054 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.5 44.95 2.86 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.005 2.522 . . . . 0.0 112.604 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.458 0.0 OUTLIER -62.39 -24.39 67.35 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 169.594 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -49.66 -7.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 120.168 3.396 . . . . 0.0 120.168 158.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.72 -44.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 O-C-N 120.373 -1.454 . . . . 0.0 109.957 164.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.92 -31.22 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 125.865 1.666 . . . . 0.0 111.025 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 22.8 pt-20 -64.49 -14.97 59.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -121.95 128.41 51.48 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.516 1.126 . . . . 0.0 111.197 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -59.83 3.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.7 1.6 . . . . 0.0 114.479 172.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.15 40.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.57 -1.956 . . . . 0.0 116.14 -170.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -45.98 -40.05 9.84 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.085 1.754 . . . . 0.0 115.154 167.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -68.16 -48.88 64.11 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.64 1.576 . . . . 0.0 113.567 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.47 -40.13 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 128.307 2.643 . . . . 0.0 114.022 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.97 94.4 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.324 -2.11 . . . . 0.0 113.087 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.265 7.8 t80 -58.75 -41.78 87.31 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.76 2.424 . . . . 0.0 111.826 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.91 -51.1 70.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.486 -1.383 . . . . 0.0 113.238 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -20.17 59.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.91 -1.744 . . . . 0.0 115.475 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.19 -56.77 17.54 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.119 -1.613 . . . . 0.0 113.393 163.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.0 pt -87.64 -11.99 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.72 36.07 7.0 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.31 128.14 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 CA-C-N 120.56 2.18 . . . . 0.0 109.46 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -123.76 151.18 43.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.769 1.227 . . . . 0.0 110.192 -169.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.304 17.5 t60 -79.68 -88.09 0.07 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.7 -1.25 . . . . 0.0 114.251 169.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -99.15 57.22 1.06 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.425 -2.047 . . . . 0.0 108.476 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.75 0.55 41.72 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -110.85 162.82 14.42 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.251 -2.323 . . . . 0.0 108.473 -171.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.92 140.96 55.13 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 108.555 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.81 138.62 31.41 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.903 -1.748 . . . . 0.0 107.909 -158.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.11 166.95 10.14 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -166.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -76.04 -47.92 22.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 121.09 1.768 . . . . 0.0 114.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -65.58 -42.93 91.18 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -85.98 -12.21 51.0 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.916 -1.74 . . . . 0.0 114.978 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -55.49 -54.62 41.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.508 -1.995 . . . . 0.0 112.754 156.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -58.63 -35.51 72.62 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 120.795 -1.191 . . . . 0.0 113.347 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -61.59 -45.68 93.09 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.326 -1.484 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.325 39.7 pt -59.3 -44.57 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 120.067 -1.646 . . . . 0.0 113.312 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.94 -36.76 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -90.7 -43.35 10.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.256 7.0 pt-20 -81.22 9.63 6.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 122.153 2.251 . . . . 0.0 115.355 -167.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.36 151.33 10.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.763 2.025 . . . . 0.0 112.054 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 p -93.36 169.51 10.32 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 109.136 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -55.8 -35.7 66.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 172.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.97 -44.61 60.9 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 175.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -53.85 -35.31 61.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 120.255 1.389 . . . . 0.0 114.169 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -77.06 -55.96 5.0 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.817 1.647 . . . . 0.0 109.798 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.62 -43.83 0.92 Allowed 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 161.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 m -59.57 -40.51 87.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.658 -1.276 . . . . 0.0 113.432 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.5 -32.1 42.38 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.946 -1.721 . . . . 0.0 112.652 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.37 -41.64 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.3 -2.125 . . . . 0.0 113.04 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -62.5 -44.99 95.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.138 1.532 . . . . 0.0 115.138 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.35 -24.44 20.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.55 -1.344 . . . . 0.0 112.491 -172.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -129.97 71.32 1.45 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.325 -2.11 . . . . 0.0 107.226 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -61.38 -71.18 0.15 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -167.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.64 -34.29 77.52 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.828 1.251 . . . . 0.0 111.451 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.48 -66.14 2.58 Favored Glycine 0 N--CA 1.429 -1.787 0 C-N-CA 125.805 1.669 . . . . 0.0 112.267 -170.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.276 0.8 OUTLIER -71.44 -41.2 69.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 117.01 -1.471 . . . . 0.0 110.584 -173.094 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -48.1 -51.62 23.82 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 121.766 2.075 . . . . 0.0 116.021 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -64.37 4.02 Favored Glycine 0 N--CA 1.43 -1.757 0 O-C-N 119.976 -1.703 . . . . 0.0 114.425 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -16.98 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.492 -2.181 . . . . 0.0 114.633 -176.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -81.68 -15.1 55.56 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.228 -2.17 . . . . 0.0 112.918 176.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -69.77 -43.71 71.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 115.987 -2.285 . . . . 0.0 111.499 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -64.33 -61.45 2.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.902 2.081 . . . . 0.0 108.136 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.77 -35.24 61.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -64.87 0.76 Allowed 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 120.491 1.496 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 ptp -55.36 -22.67 20.49 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.4 m-30 -81.07 -8.15 59.71 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.721 -1.237 . . . . 0.0 112.355 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.431 -1.412 0 CA-C-O 123.278 1.513 . . . . 0.0 109.327 173.689 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 122.33 1.062 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.3 -43.27 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.071 2.548 . . . . 0.0 114.04 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -50.15 -45.38 53.17 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.004 2.122 . . . . 0.0 114.872 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -78.14 -42.66 31.07 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.549 0.739 . . . . 0.0 110.181 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.7 -42.06 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 119.31 -2.119 . . . . 0.0 115.079 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' B' ' 12' ' ' ILE 0.361 15.5 ptt180 -72.54 -39.64 67.36 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.051 1.74 . . . . 0.0 115.523 -176.399 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.259 9.5 pt-20 -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.723 0.773 . . . . 0.0 111.962 167.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 mt -73.05 -31.53 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 O-C-N 118.543 -2.598 . . . . 0.0 113.38 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.5 mt -50.67 -51.77 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.2 -2.812 . . . . 0.0 113.486 166.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -80.96 -23.77 38.57 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.926 -2.359 . . . . 0.0 110.428 -173.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.479 HG13 HD11 ' A' ' 17' ' ' ILE . 2.2 t -66.26 -37.17 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 126.748 2.019 . . . . 0.0 111.245 170.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -7.84 55.57 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.041 -2.912 . . . . 0.0 111.713 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.276 80.5 p -87.27 -25.92 23.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.062 169.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 17' ' ' ILE . 13.3 mm -49.42 -52.53 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 122.545 1.164 . . . . 0.0 112.405 157.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.71 -46.93 88.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.71 -1.244 . . . . 0.0 114.174 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.66 -25.75 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 118.48 -2.638 . . . . 0.0 116.208 169.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -44.08 94.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.018 -2.301 . . . . 0.0 111.381 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.99 -1.5 39.94 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.713 2.005 . . . . 0.0 114.056 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 55.98 46.74 21.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.644 2.378 . . . . 0.0 115.375 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.62 56.83 0.67 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.914 1.685 . . . . 0.0 109.744 169.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.342 0.0 OUTLIER -72.38 -11.46 60.7 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -49.87 -35.03 21.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.375 2.27 . . . . 0.0 115.696 166.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -76.74 -39.07 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 O-C-N 120.582 -1.324 . . . . 0.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.2 -43.29 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.68 1.592 . . . . 0.0 111.701 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 21.5 tt0 -55.19 -24.62 27.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.803 3.241 . . . . 0.0 116.445 175.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.8 113.92 20.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.281 -1.512 . . . . 0.0 111.923 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -42.52 -53.73 4.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 128.921 2.888 . . . . 0.0 113.11 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.22 -16.45 60.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -85.12 -23.3 28.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.416 -2.053 . . . . 0.0 109.469 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -74.4 -49.39 22.8 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.989 1.716 . . . . 0.0 110.855 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.94 -41.01 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 130.111 3.364 . . . . 0.0 112.265 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.15 61.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.204 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.21 -33.83 67.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -41.39 91.88 Favored 'General case' 0 CA--C 1.488 -1.411 0 O-C-N 120.059 -1.65 . . . . 0.0 112.246 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.05 -31.28 69.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.874 -1.766 . . . . 0.0 113.603 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.66 -51.09 53.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.011 1.324 . . . . 0.0 112.76 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 22.2 pt -78.36 -23.68 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.79 31.39 11.27 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 116.609 -2.217 . . . . 0.0 115.772 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.21 124.87 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.963 3.381 . . . . 0.0 107.409 159.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.1 p -113.43 165.78 12.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.34 9.5 t60 -79.54 -98.86 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.868 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.3 60.56 0.83 Allowed 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.594 -1.941 . . . . 0.0 109.499 -176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.69 -5.99 59.67 Favored Glycine 0 N--CA 1.431 -1.66 0 O-C-N 120.452 -1.405 . . . . 0.0 114.348 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -103.99 144.57 31.37 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.461 1.905 . . . . 0.0 110.323 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.8 132.89 50.74 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 112.367 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.832 1.301 . . . . 0.0 111.873 -162.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -97.46 164.98 12.22 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.924 1.29 . . . . 0.0 111.909 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.33 -41.76 98.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.964 -1.71 . . . . 0.0 115.01 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -71.07 -41.77 70.27 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.032 -1.667 . . . . 0.0 113.372 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 41.3 m -77.19 -23.63 51.48 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.851 1.26 . . . . 0.0 113.557 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.25 -49.5 73.88 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.436 1.495 . . . . 0.0 110.715 165.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -66.22 -31.05 71.65 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -173.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -60.84 -53.1 61.51 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.815 -1.178 . . . . 0.0 113.363 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.333 31.3 pt -52.07 -47.38 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.899 -1.126 . . . . 0.0 113.967 -178.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.78 -48.97 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 65.4 m -74.06 -48.29 30.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.081 -1.637 . . . . 0.0 114.288 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.54 6.48 12.36 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -164.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.75 147.12 9.28 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.243 1.417 . . . . 0.0 112.934 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 70.8 p -83.3 171.88 13.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.788 -1.195 . . . . 0.0 110.258 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.61 -44.2 96.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.653 -1.279 . . . . 0.0 110.852 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.45 -26.23 65.4 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.64 -37.64 70.84 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.784 -1.822 . . . . 0.0 112.041 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -76.42 -41.95 45.91 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.438 -1.414 . . . . 0.0 110.304 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.26 62.17 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.442 1.497 . . . . 0.0 113.162 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.6 m -58.96 -40.88 86.06 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 121.758 0.789 . . . . 0.0 112.603 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.84 -44.16 67.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.424 -1.423 . . . . 0.0 111.858 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.39 -44.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.18 -1.575 . . . . 0.0 113.917 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.88 -42.95 94.87 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.929 2.091 . . . . 0.0 115.354 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -100.57 -42.4 6.57 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.741 -1.225 . . . . 0.0 113.151 -171.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -103.22 47.11 0.89 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.32 -2.112 . . . . 0.0 108.798 -169.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -44.41 -68.39 0.2 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 127.361 2.265 . . . . 0.0 114.816 -165.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.65 -58.94 6.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.174 2.19 . . . . 0.0 115.454 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.7 -40.97 51.89 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.861 -1.15 . . . . 0.0 114.493 -168.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.316 0.3 OUTLIER -73.06 -40.5 65.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.167 -1.396 . . . . 0.0 110.6 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.56 -54.72 3.81 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 122.748 2.522 . . . . 0.0 115.632 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.99 -64.73 3.82 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.893 -1.129 . . . . 0.0 115.214 171.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -68.61 -22.88 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.734 -2.627 . . . . 0.0 114.765 -171.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -75.28 -19.42 59.7 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.296 -2.128 . . . . 0.0 113.27 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -61.23 -44.33 97.44 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.794 -1.816 . . . . 0.0 111.357 162.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.53 -46.59 66.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.77 1.628 . . . . 0.0 109.804 -175.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.75 -25.97 61.38 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.886 -1.759 . . . . 0.0 113.011 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -82.99 -37.66 23.7 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.479 1.036 . . . . 0.0 110.237 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -75.82 -29.48 58.68 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.526 -1.359 . . . . 0.0 113.377 -170.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.457 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 22.8 m-85 -87.03 -1.63 58.02 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.905 -1.747 . . . . 0.0 111.14 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.287 6.5 t . . . . . 0 N--CA 1.431 -1.408 0 O-C-N 120.718 -1.239 . . . . 0.0 110.557 172.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 . . . . . 0 N--CA 1.43 -1.45 0 CA-C-O 122.881 1.324 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.65 -45.8 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.353 2.661 . . . . 0.0 115.195 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -46.8 69.92 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.877 2.471 . . . . 0.0 112.493 174.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -72.08 -25.62 61.84 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.961 -1.712 . . . . 0.0 113.122 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.53 -32.47 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.269 -2.145 . . . . 0.0 111.725 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -73.01 -47.81 41.79 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.802 2.441 . . . . 0.0 113.167 -172.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.41 -45.72 92.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.082 -1.636 . . . . 0.0 114.298 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' CG1' HG11 ' A' ' 42' ' ' VAL . 20.9 mt -66.94 -27.32 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.709 -1.869 . . . . 0.0 113.813 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.549 HG23 HG21 ' A' ' 80' ' ' VAL . 17.2 mt -56.72 -52.41 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 119.817 -1.802 . . . . 0.0 111.601 167.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -59.69 -43.94 93.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.166 -1.584 . . . . 0.0 114.397 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 17' ' ' ILE . 3.2 t -55.16 -44.35 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.875 2.47 . . . . 0.0 114.089 173.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.26 74.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.129 -2.232 . . . . 0.0 112.566 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 p -62.56 -29.88 70.9 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 HG21 ' B' ' 17' ' ' ILE . 43.5 mm -54.53 -52.98 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.382 1.473 . . . . 0.0 112.222 168.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.32 -42.87 92.42 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.334 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.39 -33.86 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.035 -1.666 . . . . 0.0 114.037 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -53.96 -37.32 63.81 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.767 -1.833 . . . . 0.0 114.016 167.021 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -95.69 9.15 41.33 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.509 1.924 . . . . 0.0 114.052 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 59.62 36.44 22.61 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -108.66 54.05 0.67 Allowed 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.098 -2.251 . . . . 0.0 112.111 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.279 0.0 OUTLIER -71.18 -13.41 61.92 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.139 1.904 . . . . 0.0 116.139 178.369 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -44.44 -42.48 7.05 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.189 2.596 . . . . 0.0 116.598 164.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 mt -72.94 -42.54 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.681 -1.262 . . . . 0.0 110.594 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.26 -44.4 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 126.418 1.887 . . . . 0.0 112.849 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 5.5 pt-20 -58.29 -11.93 3.21 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 120.889 3.663 . . . . 0.0 120.889 -170.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -129.09 120.26 25.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.496 -1.377 . . . . 0.0 110.41 175.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.78 -52.17 14.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.886 2.074 . . . . 0.0 114.792 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.39 -46.59 89.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.91 -1.744 . . . . 0.0 114.983 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.97 -32.91 73.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -65.31 -48.85 71.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.169 2.187 . . . . 0.0 112.59 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.3 mt -51.19 -42.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 128.425 2.69 . . . . 0.0 114.319 169.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.06 71.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.916 1.286 . . . . 0.0 109.344 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.04 -40.39 70.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.369 2.268 . . . . 0.0 115.809 168.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.95 -36.65 72.85 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.391 -2.068 . . . . 0.0 113.475 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.49 -1.381 . . . . 0.0 113.856 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.37 -54.56 9.08 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.293 1.037 . . . . 0.0 113.489 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -11.76 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 121.25 -0.906 . . . . 0.0 112.568 -171.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.26 25.28 12.73 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 170.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.3 t -71.55 112.15 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 119.903 1.852 . . . . 0.0 111.455 171.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -102.25 156.54 17.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.824 -1.172 . . . . 0.0 108.295 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.264 23.0 t60 -80.03 -96.07 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.57 51.92 1.19 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.39 1.567 . . . . 0.0 110.43 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.18 -6.23 80.25 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 126.594 2.045 . . . . 0.0 114.186 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -114.77 157.28 23.44 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.524 1.53 . . . . 0.0 113.492 -169.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -65.58 135.56 55.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.855 1.262 . . . . 0.0 111.687 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.24 129.76 34.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.406 1.574 . . . . 0.0 113.737 -165.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -96.66 155.3 16.83 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.855 2.062 . . . . 0.0 111.598 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.11 -39.11 86.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.457 -1.402 . . . . 0.0 114.328 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -69.18 -45.86 68.93 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.406 -1.434 . . . . 0.0 113.657 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m -76.38 -18.78 58.69 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.246 1.418 . . . . 0.0 113.386 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.03 -49.11 73.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.464 1.506 . . . . 0.0 111.446 165.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.73 -22.49 60.87 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.925 -1.734 . . . . 0.0 112.137 -170.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -66.47 -52.91 41.13 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 120.346 1.43 . . . . 0.0 114.225 163.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 41.3 pt -50.79 -47.26 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 126.22 1.808 . . . . 0.0 114.106 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.31 -49.21 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.444 -1.41 . . . . 0.0 114.505 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -84.03 -33.37 24.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -85.77 5.42 32.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 121.912 2.142 . . . . 0.0 116.108 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -58.86 148.26 30.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.928 -1.732 . . . . 0.0 113.249 -166.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.9 p -75.3 168.16 20.52 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.664 -1.898 . . . . 0.0 109.378 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.25 -43.75 95.84 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.218 -1.551 . . . . 0.0 111.45 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -61.84 -37.28 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.99 -41.8 95.08 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.904 1.282 . . . . 0.0 112.149 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -74.27 -41.09 61.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.493 -2.004 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -61.87 -31.18 71.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.07 1.348 . . . . 0.0 112.232 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.8 m -62.06 -44.53 96.49 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-O 121.97 0.891 . . . . 0.0 112.796 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.39 -45.35 84.37 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 111.357 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.57 -39.34 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.439 -1.413 . . . . 0.0 114.363 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -61.07 -37.94 84.44 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.763 -1.836 . . . . 0.0 115.516 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -103.47 -28.07 12.01 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -118.5 49.42 1.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.084 -1.635 . . . . 0.0 109.82 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -39.43 -69.4 0.13 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -174.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.86 -30.81 59.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.621 1.568 . . . . 0.0 112.336 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -68.84 -57.65 7.67 Favored Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 126.294 1.902 . . . . 0.0 111.084 -171.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.356 0.3 OUTLIER -70.52 -48.53 55.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 116.157 -1.878 . . . . 0.0 109.507 -178.55 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -42.42 -50.93 5.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 123.813 3.006 . . . . 0.0 118.002 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.8 -53.59 11.36 Favored Glycine 0 N--CA 1.43 -1.727 0 O-C-N 120.391 -1.443 . . . . 0.0 114.555 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 76' ' ' GLY . 19.5 m -72.7 -19.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 119.16 -2.376 . . . . 0.0 112.497 -172.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -74.74 -26.57 59.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.473 -1.392 . . . . 0.0 112.587 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -64.82 -33.9 77.1 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.812 -1.805 . . . . 0.0 111.522 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.65 -64.23 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.72 -22.2 4.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.1 -48.72 17.0 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.77 -1.206 . . . . 0.0 111.104 174.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.5 ptp -77.77 -18.23 56.67 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.051 -1.655 . . . . 0.0 113.669 -171.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -88.11 -5.53 58.4 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.393 1.477 . . . . 0.0 111.815 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.431 -1.423 0 O-C-N 121.067 -1.021 . . . . 0.0 111.077 174.82 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 123.019 1.39 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.431 HG23 ' N ' ' B' ' 6' ' ' ASP . 11.8 tt -46.53 -47.47 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.431 ' N ' HG23 ' B' ' 5' ' ' ILE . 1.6 m-20 -60.49 -42.63 96.73 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 125.589 1.556 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -63.95 -42.16 97.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.44 -1.413 . . . . 0.0 114.218 170.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.12 -44.39 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.114 -2.242 . . . . 0.0 112.152 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -52.78 -55.26 24.18 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 130.975 3.71 . . . . 0.0 112.535 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.93 -34.32 77.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.593 -1.942 . . . . 0.0 114.817 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -70.29 -38.62 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 119.957 -1.714 . . . . 0.0 111.405 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -51.09 -45.8 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 127.513 2.325 . . . . 0.0 115.066 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -72.66 -38.17 67.72 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 17' ' ' ILE . 41.5 t -55.96 -41.65 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 125.301 1.44 . . . . 0.0 114.659 161.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.92 85.16 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.669 -1.895 . . . . 0.0 112.392 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.6 p -70.56 -13.53 62.14 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.798 -1.814 . . . . 0.0 115.522 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 14' ' ' VAL . 6.4 mm -62.97 -50.39 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.485 -1.384 . . . . 0.0 111.281 163.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mp -64.0 -36.19 83.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.127 -1.608 . . . . 0.0 112.74 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.47 -28.43 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.458 -1.401 . . . . 0.0 112.931 175.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -38.92 90.08 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.925 1.29 . . . . 0.0 112.157 167.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -92.18 8.29 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.209 -1.557 . . . . 0.0 115.112 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 66.98 34.12 5.38 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.546 1.538 . . . . 0.0 113.803 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -114.12 41.56 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.253 1.821 . . . . 0.0 112.344 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.435 0.0 OUTLIER -59.32 -24.46 63.34 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 170.635 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -35.53 -42.59 0.23 Allowed 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 157.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -74.57 -45.73 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.417 -1.427 . . . . 0.0 111.184 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.1 -33.59 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 127.242 2.217 . . . . 0.0 112.92 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 8.6 pt-20 -70.62 -14.33 62.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -119.56 117.83 29.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.344 1.057 . . . . 0.0 109.932 173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -50.62 -43.13 56.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.281 1.433 . . . . 0.0 112.316 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.6 63.46 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -79.27 -38.94 34.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.696 -1.877 . . . . 0.0 109.07 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -55.99 -53.52 55.86 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.407 1.483 . . . . 0.0 112.636 171.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -52.58 -44.97 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 127.736 2.414 . . . . 0.0 114.159 173.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.13 -30.33 70.31 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -79.47 -37.44 36.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.964 1.306 . . . . 0.0 108.978 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.49 -50.18 73.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.978 1.311 . . . . 0.0 111.867 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -59.29 -43.52 92.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.96 -60.17 3.18 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.33 1.052 . . . . 0.0 113.029 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.52 45.76 5.42 Favored Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.565 -1.959 . . . . 0.0 116.666 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.33 131.39 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 118.921 1.361 . . . . 0.0 110.001 163.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.5 p -131.32 145.67 51.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.796 -1.19 . . . . 0.0 113.29 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.304 33.2 t60 -70.47 -84.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.526 -1.984 . . . . 0.0 114.208 167.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -96.21 42.54 1.09 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.284 -1.51 . . . . 0.0 111.057 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 23.76 72.82 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 119.793 -1.817 . . . . 0.0 115.263 -169.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -133.64 167.36 20.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.46 143.04 53.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.187 -1.571 . . . . 0.0 112.818 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.96 125.34 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.084 0.945 . . . . 0.0 109.565 -168.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -101.66 167.72 9.93 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.192 1.397 . . . . 0.0 113.491 -167.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.93 -48.12 82.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.917 2.087 . . . . 0.0 113.778 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -70.2 -58.43 3.79 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.639 1.576 . . . . 0.0 112.774 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -59.89 -28.25 67.4 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.9 -2.375 . . . . 0.0 117.035 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -52.94 -58.29 7.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-O 124.268 1.985 . . . . 0.0 113.305 162.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -63.72 -14.73 54.95 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.007 -1.683 . . . . 0.0 114.442 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER -81.93 -50.96 8.57 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 116.635 -2.026 . . . . 0.0 109.031 170.129 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.288 28.9 pt -53.79 -50.54 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 120.227 -1.546 . . . . 0.0 114.633 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.24 -34.19 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -77.09 -50.73 12.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.27 6.2 pt-20 -87.12 10.67 15.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -161.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.33 142.82 7.03 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.3 -1.5 . . . . 0.0 113.393 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -84.65 175.36 9.27 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -175.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.6 -44.46 93.95 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.616 -1.303 . . . . 0.0 110.201 172.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.19 -46.72 79.29 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -61.97 -30.55 71.0 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.06 -37.1 34.61 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.573 -1.329 . . . . 0.0 109.021 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -64.39 -39.27 93.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.126 -1.608 . . . . 0.0 111.005 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -53.2 -47.72 68.68 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.295 1.438 . . . . 0.0 113.139 171.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.06 -35.98 72.12 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.335 -2.103 . . . . 0.0 113.037 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -41.81 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.882 -1.761 . . . . 0.0 114.12 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.68 -38.33 76.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.87 -20.9 20.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -138.51 64.63 1.49 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.523 -1.986 . . . . 0.0 107.148 -168.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.29 -65.81 0.59 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.558 -1.964 . . . . 0.0 114.663 -161.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -56.14 -57.08 13.72 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.05 1.74 . . . . 0.0 114.414 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.91 -56.73 22.46 Favored Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 125.849 1.69 . . . . 0.0 114.091 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.3 8.2 t80 -76.94 -27.07 54.7 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 118.175 0.988 . . . . 0.0 111.761 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -52.71 -60.22 3.52 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 122.598 2.454 . . . . 0.0 114.245 169.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -59.76 9.0 Favored Glycine 0 N--CA 1.431 -1.688 0 O-C-N 121.213 -0.929 . . . . 0.0 114.537 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.7 m -68.25 -21.41 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.357 -2.26 . . . . 0.0 114.901 -173.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.51 -14.13 57.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.402 -2.061 . . . . 0.0 113.444 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -68.15 -37.47 81.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.591 -2.568 . . . . 0.0 111.912 161.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.08 -64.4 0.88 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.128 2.171 . . . . 0.0 108.337 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.3 mt -49.61 -47.28 49.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.955 -1.716 . . . . 0.0 112.708 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.04 -37.97 84.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.291 17.3 ptp -74.96 -29.74 61.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 124.149 1.928 . . . . 0.0 111.062 -172.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.7 m-85 -83.36 -0.15 48.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.715 -1.241 . . . . 0.0 112.93 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.397 4.8 t . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 122.573 1.178 . . . . 0.0 110.981 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 123.158 1.456 . . . . 0.0 113.14 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.34 -45.39 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 130.588 3.555 . . . . 0.0 115.606 -170.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -64.92 -35.7 81.99 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -66.99 -39.6 87.2 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.565 1.146 . . . . 0.0 110.197 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.99 -46.09 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.497 -1.377 . . . . 0.0 112.775 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -49.96 -47.04 52.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.94 2.096 . . . . 0.0 114.784 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.05 -37.51 87.82 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 123.503 1.621 . . . . 0.0 113.751 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.37 -21.83 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 118.963 -2.335 . . . . 0.0 112.499 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.67 -46.91 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 128.178 2.591 . . . . 0.0 112.11 168.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.469 HG21 HG22 ' B' ' 42' ' ' VAL . 17.1 p -66.62 -55.17 16.53 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.608 -1.308 . . . . 0.0 111.128 -178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 HD11 ' B' ' 17' ' ' ILE . 54.4 t -42.2 -48.08 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 165.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.56 56.95 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 116.623 -3.798 . . . . 0.0 111.42 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -82.04 -11.23 58.92 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.038 -1.664 . . . . 0.0 112.302 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.575 HG21 HG21 ' B' ' 17' ' ' ILE . 4.9 mm -68.24 -49.35 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 123.805 1.764 . . . . 0.0 107.868 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 5.8 mt -57.76 -42.3 83.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.541 -1.663 . . . . 0.0 112.534 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mt -71.66 -26.37 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.077 -2.264 . . . . 0.0 112.552 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -41.49 86.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.888 1.222 . . . . 0.0 110.616 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.41 -10.44 43.86 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t 70.9 46.39 0.49 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 126.584 1.953 . . . . 0.0 111.074 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -108.49 51.16 0.75 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.107 2.163 . . . . 0.0 106.753 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -73.98 -16.45 61.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.085 -1.635 . . . . 0.0 114.818 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -35.83 -49.64 0.62 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.289 3.036 . . . . 0.0 117.937 160.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.95 -45.19 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 124.183 0.993 . . . . 0.0 109.87 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.22 -39.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.716 1.606 . . . . 0.0 113.296 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 34.0 tt0 -63.6 -17.75 63.19 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.8 3.24 . . . . 0.0 118.247 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -126.23 127.73 46.1 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.544 -1.972 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -46.52 -60.9 2.07 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.633 2.373 . . . . 0.0 114.942 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.3 -25.08 59.36 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.678 -1.264 . . . . 0.0 112.68 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.5 -26.85 55.71 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.981 -1.074 . . . . 0.0 110.291 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.25 -50.15 23.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.148 1.779 . . . . 0.0 112.316 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -55.9 -35.91 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.273 1.829 . . . . 0.0 114.976 172.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.21 90.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.806 1.289 . . . . 0.0 111.996 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.4 t80 -61.53 -32.73 72.79 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.136 2.174 . . . . 0.0 113.041 171.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.3 -34.95 75.48 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.792 -1.817 . . . . 0.0 112.332 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -73.73 -22.7 59.81 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.175 -1.578 . . . . 0.0 111.73 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -74.55 -63.69 1.19 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.393 1.877 . . . . 0.0 114.816 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -18.03 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.486 -1.384 . . . . 0.0 109.942 -175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.97 26.41 11.53 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 157.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG22 HG21 ' B' ' 13' ' ' THR . 21.5 t -71.68 120.93 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-O 122.254 1.026 . . . . 0.0 109.461 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.8 p -108.0 155.16 20.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.921 1.288 . . . . 0.0 110.213 -168.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.269 21.6 t60 -84.43 -89.82 0.1 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.06 -1.025 . . . . 0.0 111.774 165.422 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 40.9 mt-10 -91.66 42.31 1.1 Allowed 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 118.973 -2.329 . . . . 0.0 111.354 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.4 -3.55 86.08 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.585 -1.322 . . . . 0.0 112.55 -174.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -117.93 163.64 16.25 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.41 146.19 52.24 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.6 1.19 . . . . 0.0 112.785 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 128.64 34.66 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 123.254 1.502 . . . . 0.0 113.044 -171.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -91.89 155.62 18.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.631 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.69 -33.09 70.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -76.48 -46.79 25.3 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 117.337 -3.352 . . . . 0.0 108.936 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -68.7 -19.28 64.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.647 2.476 . . . . 0.0 116.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -68.9 -44.45 73.14 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.994 1.378 . . . . 0.0 112.105 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -66.03 -24.25 66.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.519 -1.363 . . . . 0.0 111.536 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.315 28.0 pttt -71.54 -44.8 63.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 169.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.368 9.6 pt -58.18 -45.49 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 HG21 ' A' ' 88' ' ' THR . 27.9 m -79.85 -38.46 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -92.31 -40.68 10.8 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.1 2.01 14.08 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.889 2.132 . . . . 0.0 115.919 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.32 137.59 6.22 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.107 2.163 . . . . 0.0 115.619 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.1 p -76.99 171.63 14.49 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 122.257 1.027 . . . . 0.0 111.541 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -74.87 -27.95 60.46 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.059 -1.651 . . . . 0.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.14 -41.27 81.9 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.846 167.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.12 -30.13 68.33 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 123.582 2.901 . . . . 0.0 113.318 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.35 -48.51 67.28 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.746 -1.221 . . . . 0.0 110.73 168.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.16 -27.52 65.74 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 120.986 1.721 . . . . 0.0 111.092 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -72.37 -41.93 65.81 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.281 -1.512 . . . . 0.0 112.669 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.03 -32.67 70.93 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 121.609 2.004 . . . . 0.0 111.109 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.29 -44.56 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.836 1.654 . . . . 0.0 113.016 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.25 -48.72 78.13 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.139 -1.6 . . . . 0.0 115.091 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -73.59 -35.41 65.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -174.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.01 77.28 1.75 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.776 -1.828 . . . . 0.0 114.309 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -53.83 -70.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -71.29 -41.9 69.38 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.918 -1.114 . . . . 0.0 112.922 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.51 -62.08 6.67 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 117.727 1.851 . . . . 0.0 117.727 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.22 -27.86 62.8 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.333 2.566 . . . . 0.0 110.791 -172.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.07 -58.51 7.04 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.156 -2.215 . . . . 0.0 114.085 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.08 -66.82 2.31 Favored Glycine 0 N--CA 1.431 -1.695 0 N-CA-C 115.196 0.838 . . . . 0.0 115.196 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 0.0 OUTLIER -64.96 -28.15 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.689 -2.654 . . . . 0.0 116.9 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.65 -15.86 60.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.374 2.352 . . . . 0.0 112.973 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -67.88 -43.14 80.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.478 -2.639 . . . . 0.0 113.956 167.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.17 -58.85 6.62 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 109.684 -3.417 . . . . 0.0 112.134 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.67 -43.63 80.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.083 -2.26 . . . . 0.0 115.192 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.62 -43.81 88.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 113.025 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.2 ptp -79.87 -30.39 40.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.062 1.301 . . . . 0.0 114.133 -169.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -75.74 5.72 5.86 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 58' ' ' VAL 0.35 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.45 0 O-C-N 120.097 -1.627 . . . . 0.0 108.12 171.661 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ASN . . . . . 0.461 ' N ' HD21 ' B' ' 4' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 120.445 0.165 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tt -56.51 -37.18 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -59.49 -47.64 84.72 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.444 1.897 . . . . 0.0 112.428 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -67.27 -42.16 84.31 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.521 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.75 -50.17 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 124.515 1.126 . . . . 0.0 113.056 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.25 8.0 ttt180 -53.4 -43.33 67.81 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.881 2.472 . . . . 0.0 116.724 174.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.49 -43.09 95.23 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.945 -1.722 . . . . 0.0 112.959 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 mt -70.72 -30.25 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.581 -1.324 . . . . 0.0 112.306 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -57.96 -52.92 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 126.696 1.998 . . . . 0.0 112.251 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' THR . . . . . 0.488 HG21 HG22 ' A' ' 42' ' ' VAL . 13.6 p -69.61 -41.0 76.28 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.05 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.412 HG13 HD11 ' A' ' 17' ' ' ILE 0.258 3.6 t -49.78 -41.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.504 1.921 . . . . 0.0 115.287 167.763 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -23.11 33.85 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.297 -2.127 . . . . 0.0 111.444 -172.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.7 p -72.24 -23.11 61.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.808 1.243 . . . . 0.0 114.025 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.59 HD11 HG13 ' A' ' 14' ' ' VAL . 3.0 mm -59.52 -47.63 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 124.733 1.213 . . . . 0.0 109.857 166.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.42 -32.66 73.55 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.279 27.0 mt -70.01 -35.65 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 120.644 -1.285 . . . . 0.0 113.769 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -42.63 77.09 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.866 -1.771 . . . . 0.0 114.945 168.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -88.26 7.75 30.63 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t 64.69 42.48 4.68 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.557 -1.339 . . . . 0.0 114.089 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -126.5 45.05 2.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.398 1.571 . . . . 0.0 110.317 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.385 0.0 OUTLIER -65.36 -17.5 64.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.041 175.256 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.83 -15.65 43.65 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.69 -58.48 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.527 1.131 . . . . 0.0 108.824 164.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -55.15 -38.44 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 128.057 2.543 . . . . 0.0 113.604 -173.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.74 -11.91 14.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.646 3.179 . . . . 0.0 117.226 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -127.49 117.21 21.66 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.229 -1.545 . . . . 0.0 110.787 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -39.66 -49.21 2.22 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.082 2.553 . . . . 0.0 114.751 171.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.18 -32.8 24.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.968 -1.708 . . . . 0.0 111.745 -166.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -74.18 -29.13 61.62 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.716 0.77 . . . . 0.0 112.124 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -60.83 -54.05 49.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.473 1.509 . . . . 0.0 112.94 170.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' B' ' 54' ' ' PHE . 47.7 mt -51.15 -39.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.724 2.81 . . . . 0.0 114.749 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.58 94.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.748 -1.845 . . . . 0.0 112.217 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.257 8.4 t80 -66.67 -34.41 77.8 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.914 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.24 -34.87 75.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.543 -1.973 . . . . 0.0 112.734 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.21 -40.72 74.39 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.358 -1.464 . . . . 0.0 109.72 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.42 -52.58 37.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.848 2.059 . . . . 0.0 114.912 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.443 HD11 HG23 ' B' ' 42' ' ' VAL 0.253 0.1 OUTLIER -86.3 -24.4 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.406 -1.434 . . . . 0.0 112.641 179.445 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 51.04 2.72 Favored Glycine 0 N--CA 1.431 -1.694 0 O-C-N 121.346 -0.846 . . . . 0.0 113.755 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 13' ' ' THR . 21.1 t -85.98 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 162.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.4 p -123.27 148.21 46.15 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.156 -1.383 . . . . 0.0 110.168 -169.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -75.08 -104.35 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.187 -0.946 . . . . 0.0 111.188 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.72 45.43 0.59 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.067 -2.27 . . . . 0.0 112.366 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.53 8.43 87.75 Favored Glycine 0 N--CA 1.43 -1.734 0 O-C-N 119.974 -1.704 . . . . 0.0 113.751 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -105.71 167.81 9.52 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.797 1.239 . . . . 0.0 113.038 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -76.93 120.91 22.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.778 -1.827 . . . . 0.0 110.373 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 121.94 21.97 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -173.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.29 165.51 12.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.794 -1.191 . . . . 0.0 110.313 -172.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.52 -40.95 73.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.209 -1.557 . . . . 0.0 114.013 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -64.82 -48.67 73.53 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.245 -0.909 . . . . 0.0 110.517 172.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 m -74.72 -22.09 59.02 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' B' ' 34' ' ' ILE . 62.0 t80 -58.85 -49.1 78.99 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.759 -2.463 . . . . 0.0 114.553 162.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -64.96 -31.95 73.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.216 -1.553 . . . . 0.0 113.114 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.363 32.4 pttt -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 168.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.281 18.3 pt -59.25 -50.74 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.983 -1.698 . . . . 0.0 113.614 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.63 -41.01 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -173.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -68.0 -58.44 4.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.302 7.5 pt-20 -79.54 11.84 2.85 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -162.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.89 135.65 41.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.845 -1.784 . . . . 0.0 111.916 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -76.13 173.89 10.75 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.476 -1.39 . . . . 0.0 111.063 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.932 -1.73 . . . . 0.0 110.929 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -84.21 -27.09 28.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.46 -33.78 54.58 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.204 -1.56 . . . . 0.0 112.705 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -67.94 -54.1 21.26 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.368 1.467 . . . . 0.0 109.933 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.81 -42.44 0.59 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.793 2.037 . . . . 0.0 114.88 163.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 45.3 m -69.82 -37.07 76.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 123.544 1.64 . . . . 0.0 113.012 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.38 -34.1 74.03 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.901 -1.124 . . . . 0.0 113.923 172.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.96 -43.17 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.866 -1.146 . . . . 0.0 111.91 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -55.81 -58.52 7.52 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.159 1.384 . . . . 0.0 113.123 172.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -16.59 34.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.82 52.64 1.98 Allowed 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 118.811 -2.43 . . . . 0.0 114.079 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -39.77 -69.23 0.13 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.078 3.362 . . . . 0.0 120.078 -176.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -56.2 -51.98 66.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.663 1.585 . . . . 0.0 113.027 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.47 -53.23 10.44 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.262 1.41 . . . . 0.0 111.644 -169.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.258 1.0 OUTLIER -74.59 -38.4 62.64 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 115.801 -2.047 . . . . 0.0 109.166 -171.038 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -57.45 -46.69 83.32 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 124.523 3.329 . . . . 0.0 114.907 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -58.36 11.89 Favored Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 121.685 2.039 . . . . 0.0 115.071 172.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.74 -23.58 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.987 -1.89 . . . . 0.0 114.095 -173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -76.98 -20.56 55.94 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.541 -1.974 . . . . 0.0 113.84 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -57.83 -50.92 71.66 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 122.595 2.452 . . . . 0.0 112.437 154.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.32 -61.91 1.94 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.4 ' O ' HG22 ' B' ' 88' ' ' THR . 94.0 mt -43.03 -54.82 4.1 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 170.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.82 -49.6 72.82 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.7 ptp -65.39 -33.81 76.84 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.95 0.06 33.02 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.4 HG22 ' O ' ' B' ' 84' ' ' LEU . 1.7 t . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 122.589 1.185 . . . . 0.0 110.179 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -52.16 -51.23 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.687 2.395 . . . . 0.0 115.968 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -65.97 -31.16 71.91 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 m -66.1 -36.55 83.47 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.869 -1.144 . . . . 0.0 111.443 172.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.5 -38.29 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 121.032 -1.042 . . . . 0.0 109.41 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -68.5 -49.81 56.85 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.349 2.26 . . . . 0.0 111.419 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.61 -51.48 55.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.709 -2.041 . . . . 0.0 113.304 171.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -74.55 -26.59 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.028 -1.67 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.41 -52.22 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 118.651 -2.53 . . . . 0.0 114.391 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.252 16.0 p -55.71 -47.25 77.17 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 175.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -56.34 -43.46 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 126.196 1.798 . . . . 0.0 115.152 170.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.79 -38.38 64.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 118.391 -2.693 . . . . 0.0 112.751 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.5 p -63.46 -24.48 67.85 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 171.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' B' ' 17' ' ' ILE . 2.0 mm -54.22 -50.69 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.379 0 CA-C-O 124.05 1.881 . . . . 0.0 113.505 164.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.43 -44.34 95.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 113.185 -1.825 . . . . 0.0 109.618 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.69 -38.1 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 118.219 -2.8 . . . . 0.0 113.299 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -36.98 5.76 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.342 2.792 . . . . 0.0 116.784 167.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -94.18 4.95 53.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.652 2.381 . . . . 0.0 115.978 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t 57.42 41.31 26.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.049 2.139 . . . . 0.0 114.904 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -104.82 51.67 0.76 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.412 1.885 . . . . 0.0 112.304 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -15.98 55.3 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.042 -1.661 . . . . 0.0 111.42 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.42 -20.08 6.82 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 158.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -83.55 -46.0 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.961 2.164 . . . . 0.0 106.493 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.97 -34.34 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 126.03 1.732 . . . . 0.0 111.968 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.6 pt-20 -58.95 -23.8 61.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.66 119.22 37.34 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.296 1.038 . . . . 0.0 112.658 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -44.83 -57.33 3.81 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.464 2.706 . . . . 0.0 114.713 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.61 67.24 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.824 -1.173 . . . . 0.0 114.112 -172.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -58.96 -32.94 70.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.86 -50.09 58.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.815 1.246 . . . . 0.0 113.35 170.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.51 -35.79 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 127.118 2.167 . . . . 0.0 114.029 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.39 65.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.765 1.745 . . . . 0.0 108.631 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -55.43 -42.71 74.57 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 113.064 -1.88 . . . . 0.0 115.356 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.86 -37.4 71.25 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.884 -1.135 . . . . 0.0 113.583 171.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -74.39 -32.66 62.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.629 -1.919 . . . . 0.0 114.217 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -63.95 -48.91 74.66 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.122 -1.611 . . . . 0.0 112.5 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 pt -87.5 -19.96 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.758 -1.214 . . . . 0.0 113.842 -176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.66 47.49 7.24 Favored Glycine 0 N--CA 1.431 -1.698 0 CA-C-O 117.653 -1.637 . . . . 0.0 116.876 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.25 128.21 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.619 3.71 . . . . 0.0 108.279 164.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -110.59 146.31 36.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.04 0.936 . . . . 0.0 111.924 -167.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -87.89 -81.04 0.25 Allowed 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.57 -1.331 . . . . 0.0 109.301 169.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -89.17 37.68 0.86 Allowed 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.475 -1.39 . . . . 0.0 114.448 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.59 -1.83 60.43 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 121.349 -0.844 . . . . 0.0 113.001 -166.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.253 48.4 mtt85 -119.96 164.97 15.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.395 -2.827 . . . . 0.0 111.624 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -78.29 147.65 34.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.321 -1.487 . . . . 0.0 110.289 -167.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.6 124.68 39.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.978 1.847 . . . . 0.0 113.076 -152.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -99.28 169.29 9.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.971 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -71.56 -43.82 65.65 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.089 -1.632 . . . . 0.0 114.694 -174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -65.45 -40.2 92.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 123.989 1.852 . . . . 0.0 115.82 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -77.59 -29.68 52.12 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.29 -50.82 72.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.291 1.043 . . . . 0.0 111.591 161.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -65.16 -28.84 69.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.159 -2.838 . . . . 0.0 116.15 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 28.7 pttt -69.96 -36.13 75.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 170.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 pt -64.44 -42.48 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.471 -1.393 . . . . 0.0 113.765 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -86.6 -40.27 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -79.71 -60.52 2.32 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.372 -1.455 . . . . 0.0 114.922 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -86.82 13.11 9.46 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 -164.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -45.98 158.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.2 p -83.87 170.91 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.67 -1.894 . . . . 0.0 107.937 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.36 -46.3 84.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.445 -1.409 . . . . 0.0 111.411 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -60.33 -35.55 75.91 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.68 -40.43 94.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.296 -1.503 . . . . 0.0 114.602 170.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -73.98 -43.87 56.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.372 1.469 . . . . 0.0 110.876 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -70.69 -9.69 57.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.686 1.594 . . . . 0.0 112.75 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 m -79.42 -61.66 1.93 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 174.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.21 -35.27 48.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.505 3.15 . . . . 0.0 119.505 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.83 -38.88 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 168.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.78 -38.71 80.2 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.053 -2.279 . . . . 0.0 116.253 170.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -87.58 -38.14 16.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.093 -1.63 . . . . 0.0 112.738 -172.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -113.0 65.34 0.64 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.226 1.41 . . . . 0.0 107.762 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.34 -71.21 0.07 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -75.35 -40.6 58.04 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 123.946 0.899 . . . . 0.0 112.655 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.44 94.27 Favored Glycine 0 N--CA 1.43 -1.719 0 O-C-N 120.2 -1.563 . . . . 0.0 116.918 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.408 0.1 OUTLIER -77.92 -30.71 50.67 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.591 -176.69 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.66 -58.5 3.39 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 122.801 2.546 . . . . 0.0 114.715 169.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.73 -57.56 7.09 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 122.653 1.141 . . . . 0.0 115.285 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -71.15 -22.64 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.741 -2.623 . . . . 0.0 114.455 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -69.47 -41.3 76.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.474 -2.016 . . . . 0.0 112.699 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.259 19.4 mmt180 -49.5 -41.97 42.27 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.495 1.952 . . . . 0.0 113.917 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -69.68 -55.51 9.77 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 128.171 2.588 . . . . 0.0 105.809 -172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 88' ' ' THR . 74.5 mt -60.32 -36.9 79.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.867 -1.771 . . . . 0.0 115.017 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -59.27 4.47 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.106 -1.622 . . . . 0.0 109.919 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.254 7.5 ptp -57.31 -32.85 67.08 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.5 m-85 -78.35 -12.46 60.0 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.658 -1.277 . . . . 0.0 112.832 -174.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.7 t . . . . . 0 N--CA 1.43 -1.439 0 CA-C-O 122.407 1.099 . . . . 0.0 110.844 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 . . . . . 0 N--CA 1.43 -1.47 0 CA-C-O 123.175 1.464 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 tt -44.28 -55.25 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.152 3.019 . . . . 0.0 119.152 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -67.52 -31.43 71.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.504 1.121 . . . . 0.0 112.426 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 83.2 m -63.73 -47.83 79.5 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.026 -1.671 . . . . 0.0 114.285 167.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.82 -39.08 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 126.7 2.0 . . . . 0.0 110.596 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -57.28 -57.24 13.5 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 130.821 3.648 . . . . 0.0 112.688 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -69.55 -26.14 64.36 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.752 -2.468 . . . . 0.0 115.102 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.459 ' CG1' HG11 ' B' ' 42' ' ' VAL . 33.1 mt -74.32 -26.03 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.944 -1.722 . . . . 0.0 111.342 174.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.04 -49.85 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.455 -2.028 . . . . 0.0 111.509 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . 0.31 2.1 p -69.7 -36.0 75.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 123.754 0.822 . . . . 0.0 112.829 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 HD11 ' A' ' 17' ' ' ILE . 2.5 t -59.15 -42.92 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.016 1.326 . . . . 0.0 114.531 165.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.5 63.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.004 -1.06 . . . . 0.0 108.896 -171.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -76.02 -14.17 60.22 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 17' ' ' ILE . 28.4 mm -59.23 -51.95 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 121.053 1.751 . . . . 0.0 112.238 160.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 0.9 OUTLIER -66.19 -28.88 69.1 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.994 -1.691 . . . . 0.0 112.892 -178.137 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -76.96 -36.18 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.351 -2.093 . . . . 0.0 108.603 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -57.89 -42.48 84.73 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.617 1.567 . . . . 0.0 113.121 170.133 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.31 3.84 48.2 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 119.924 -1.735 . . . . 0.0 115.182 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t 69.42 37.58 1.98 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.869 -1.769 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -114.96 43.65 1.94 Allowed 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.398 2.279 . . . . 0.0 112.668 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.407 0.0 OUTLIER -57.38 -21.49 36.35 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 170.335 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -40.92 -38.4 0.95 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.62 3.193 . . . . 0.0 119.62 159.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -73.55 -40.23 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.614 -1.929 . . . . 0.0 110.393 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.74 -36.71 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 126.655 1.982 . . . . 0.0 112.329 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.89 -21.45 66.47 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.269 2.628 . . . . 0.0 116.027 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -112.32 126.11 54.9 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.001 -1.687 . . . . 0.0 111.687 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -51.48 -57.59 8.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.791 2.036 . . . . 0.0 113.987 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.48 -35.02 58.65 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 119.239 -2.163 . . . . 0.0 114.716 -170.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -55.56 -41.92 73.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 168.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.62 -46.31 83.13 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.538 1.535 . . . . 0.0 112.383 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' B' ' 54' ' ' PHE . 64.8 mt -57.38 -41.53 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.108 1.763 . . . . 0.0 113.984 170.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.57 91.67 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.408 -2.057 . . . . 0.0 114.536 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 18' ' ' LEU 0.304 20.5 t80 -57.31 -42.75 82.42 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.459 2.303 . . . . 0.0 112.487 165.696 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.91 -35.1 78.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.587 -1.946 . . . . 0.0 112.006 174.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -73.59 -29.54 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.679 -1.888 . . . . 0.0 114.26 170.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.37 -61.79 2.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 167.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -82.01 -14.63 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.296 -1.503 . . . . 0.0 112.319 -168.807 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.99 45.03 6.46 Favored Glycine 0 N--CA 1.431 -1.661 0 O-C-N 120.885 -1.134 . . . . 0.0 115.807 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.459 HG11 ' CG1' ' B' ' 11' ' ' ILE . 93.1 t -78.41 108.35 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 161.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -110.43 119.05 37.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.698 -1.252 . . . . 0.0 109.89 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 45' ' ' GLU . 35.7 t60 -66.96 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 44' ' ' HIS . 92.3 mt-10 -91.48 51.01 1.81 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.017 -2.927 . . . . 0.0 109.396 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 11.16 74.37 Favored Glycine 0 N--CA 1.43 -1.742 0 CA-C-O 116.297 -2.39 . . . . 0.0 114.274 -174.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -133.49 161.96 33.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.238 2.519 . . . . 0.0 106.59 -174.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.57 157.84 22.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.26 -1.525 . . . . 0.0 111.32 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.01 132.98 33.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.578 1.656 . . . . 0.0 111.563 -166.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -93.29 163.75 13.49 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.342 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -62.86 -47.58 82.73 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.618 1.567 . . . . 0.0 113.171 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -72.06 -42.14 66.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.646 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -74.45 -30.61 61.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 125.621 3.828 . . . . 0.0 112.68 -176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.489 ' CD2' HD11 ' B' ' 34' ' ' ILE . 52.9 t80 -46.65 -52.82 12.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 159.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -65.25 -29.9 70.73 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.63 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 33.2 pttt -67.75 -24.36 65.34 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 165.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.402 HG13 HG13 ' B' ' 58' ' ' VAL 0.311 41.1 pt -68.53 -53.39 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 CA-C-N 123.679 2.945 . . . . 0.0 115.124 166.652 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.402 HG13 HG13 ' B' ' 57' ' ' ILE . 23.0 m -70.07 -35.87 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -75.07 -57.4 3.92 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 116.882 -3.637 . . . . 0.0 114.983 -171.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -78.67 13.41 1.66 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.665 -3.147 . . . . 0.0 118.184 -169.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.97 146.77 45.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.422 -2.049 . . . . 0.0 111.614 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -88.84 172.88 8.87 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 118.882 -2.386 . . . . 0.0 107.996 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -54.03 -46.33 71.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.325 -2.109 . . . . 0.0 114.145 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -67.76 -32.59 73.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -69.76 -35.03 74.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.175 -1.578 . . . . 0.0 112.278 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.81 -46.31 58.62 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.044 1.338 . . . . 0.0 109.485 175.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -56.18 -28.56 58.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 49.9 m -67.98 -34.85 77.33 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.706 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.39 -41.57 69.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.004 -1.685 . . . . 0.0 113.648 167.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.1 -46.01 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 118.753 -2.467 . . . . 0.0 115.945 171.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.58 -48.6 66.11 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -92.88 -18.7 22.49 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.934 1.243 . . . . 0.0 113.425 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.2 74.77 1.6 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.611 -1.306 . . . . 0.0 107.683 -170.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.59 -69.82 0.25 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.576 1.15 . . . . 0.0 112.557 -172.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.42 -42.85 98.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.77 -1.832 . . . . 0.0 114.703 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.62 -56.9 12.63 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 117.005 -1.997 . . . . 0.0 113.333 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.289 0.8 OUTLIER -77.77 -37.32 49.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.115 2.458 . . . . 0.0 112.322 -171.476 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . 0.28 61.3 mt-10 -39.85 -59.95 1.09 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 163.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.84 -63.07 4.46 Favored Glycine 0 N--CA 1.43 -1.712 0 O-C-N 118.2 -2.813 . . . . 0.0 116.007 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.17 -24.77 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.02 -1.871 . . . . 0.0 114.292 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -81.01 -14.41 57.94 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.24 -2.163 . . . . 0.0 113.299 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -61.45 -55.54 30.17 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.007 -2.308 . . . . 0.0 111.439 158.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.56 -50.37 60.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.661 2.784 . . . . 0.0 116.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.42 -47.11 83.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.771 -3.081 . . . . 0.0 111.294 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -67.63 -37.84 83.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.001 -1.687 . . . . 0.0 113.49 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -78.15 -16.95 57.46 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.521 -1.987 . . . . 0.0 113.133 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -93.39 1.22 56.97 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.486 -2.009 . . . . 0.0 112.576 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.3 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 168.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.429 -1.477 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -47.07 -47.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.28 -18.95 65.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.321 1.849 . . . . 0.0 115.197 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 19.5 m -93.96 -34.78 12.93 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 110.029 175.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 8' ' ' VAL . 4.3 t -58.12 -42.76 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 118.456 -2.653 . . . . 0.0 110.694 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -44.45 -61.68 1.45 Allowed 'General case' 0 N--CA 1.43 -1.457 1 C-N-CA 132.648 4.379 . . . . 0.0 112.803 173.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.1 -24.0 67.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 173.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -81.97 -35.65 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 119.335 -2.103 . . . . 0.0 110.058 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.71 -39.92 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 128.59 2.756 . . . . 0.0 114.492 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.52 -41.52 38.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.602 HG13 HD11 ' B' ' 17' ' ' ILE . 2.5 t -50.34 -43.62 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.645 1.978 . . . . 0.0 115.632 164.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.75 87.22 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.579 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.0 p -69.19 -16.08 63.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 17' ' ' ILE . 12.6 mm -62.44 -49.27 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 120.996 1.725 . . . . 0.0 110.793 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 26' ' ' ILE . 5.0 mp -61.44 -36.94 81.79 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.624 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -75.65 -26.85 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.594 -1.942 . . . . 0.0 112.073 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.94 98.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.322 1.449 . . . . 0.0 113.088 169.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -90.25 2.2 55.69 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 67.47 47.09 1.28 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.982 1.713 . . . . 0.0 113.948 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -123.22 34.7 5.05 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.158 2.183 . . . . 0.0 111.84 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.328 0.0 OUTLIER -57.68 -24.9 59.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 176.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -47.8 -32.32 5.9 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' ' 18' ' ' LEU . 20.6 mt -69.32 -43.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 119.975 -1.703 . . . . 0.0 111.78 172.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -67.04 -36.63 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.332 2.253 . . . . 0.0 112.925 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 tm-20 -60.98 -20.98 63.07 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 129.088 2.955 . . . . 0.0 116.746 -168.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -130.73 128.12 40.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.202 1.001 . . . . 0.0 112.348 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -53.63 -45.51 70.19 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.38 63.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.448 -2.658 . . . . 0.0 116.991 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -78.54 -39.62 37.35 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.645 -1.285 . . . . 0.0 108.449 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.2 -54.7 43.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 126.361 1.865 . . . . 0.0 112.866 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 54' ' ' PHE . 20.7 mt -55.97 -41.8 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.393 2.277 . . . . 0.0 114.457 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.22 69.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -35.88 33.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 126.531 1.932 . . . . 0.0 109.596 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.99 -48.13 79.16 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.111 -1.618 . . . . 0.0 112.307 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -65.05 -16.42 63.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.405 -2.06 . . . . 0.0 116.52 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.47 -60.77 2.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.749 1.613 . . . . 0.0 113.351 167.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -86.51 -4.73 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -166.631 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.68 39.8 6.52 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 121.262 -0.899 . . . . 0.0 113.371 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.517 HG23 HD11 ' A' ' 40' ' ' ILE . 56.1 t -82.84 119.8 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 CA-C-N 119.996 1.898 . . . . 0.0 108.102 167.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -113.79 149.57 34.73 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.37 -1.456 . . . . 0.0 110.211 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -78.94 -87.07 0.06 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.51 -1.994 . . . . 0.0 113.978 166.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -91.6 50.96 1.79 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.035 -1.666 . . . . 0.0 110.369 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.98 19.04 28.8 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 -169.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -133.59 161.79 33.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -76.62 141.85 40.89 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.667 1.223 . . . . 0.0 111.461 -167.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -97.93 126.81 43.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.978 1.311 . . . . 0.0 108.94 -156.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -97.06 153.7 17.78 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.018 1.327 . . . . 0.0 111.036 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.27 -37.88 87.18 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -68.96 -54.15 16.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.008 1.323 . . . . 0.0 113.404 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -78.95 -10.56 59.86 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.178 -2.826 . . . . 0.0 115.083 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 34' ' ' ILE . 57.5 t80 -57.31 -55.14 38.63 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.265 1.507 . . . . 0.0 111.125 159.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -61.33 -31.95 71.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.234 -0.916 . . . . 0.0 112.994 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.312 8.4 pttp -63.0 -49.83 73.12 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 119.651 1.114 . . . . 0.0 113.546 168.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.332 24.4 pt -53.79 -51.07 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 121.75 2.068 . . . . 0.0 114.716 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.05 -31.48 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 t -82.73 -43.53 16.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -86.82 3.94 43.17 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -159.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.7 mt -51.68 145.68 8.91 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 125.774 1.63 . . . . 0.0 113.024 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -87.41 177.07 7.22 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.71 -46.01 76.9 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.304 -2.122 . . . . 0.0 110.363 173.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.08 -39.51 63.38 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 170.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -68.37 -33.97 75.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.859 -1.776 . . . . 0.0 114.588 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.16 -31.61 30.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.528 -1.982 . . . . 0.0 110.549 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.99 85.53 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.575 -1.328 . . . . 0.0 110.034 171.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.8 m -59.0 -38.62 79.61 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.492 1.917 . . . . 0.0 113.995 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.02 -43.63 57.27 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 119.922 -1.736 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.4 -42.52 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.337 1.455 . . . . 0.0 113.533 172.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.71 -48.17 82.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.936 1.695 . . . . 0.0 114.634 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -86.97 -28.01 22.94 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.902 -1.749 . . . . 0.0 115.357 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -121.84 66.92 0.91 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -58.04 -68.09 0.28 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.392 1.477 . . . . 0.0 112.832 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.0 -36.18 79.56 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.086 2.154 . . . . 0.0 112.701 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -59.31 9.32 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 124.617 1.103 . . . . 0.0 115.382 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -84.24 -24.86 29.82 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 119.375 1.588 . . . . 0.0 110.358 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.69 -54.62 44.04 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.803 -2.435 . . . . 0.0 111.909 168.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.32 -70.12 1.09 Allowed Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.442 -1.411 . . . . 0.0 116.305 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.99 -26.13 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.303 -2.292 . . . . 0.0 115.75 -169.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -80.87 -15.72 55.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 119.239 0.927 . . . . 0.0 113.087 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -63.27 -46.89 84.71 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 115.291 -2.564 . . . . 0.0 111.727 161.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -61.49 -57.25 12.92 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.951 1.701 . . . . 0.0 109.031 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -30.85 64.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.443 -2.036 . . . . 0.0 116.219 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.38 -45.88 36.39 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.795 -1.816 . . . . 0.0 110.885 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -81.56 -18.46 44.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.027 -2.295 . . . . 0.0 113.114 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 14.4 m-30 -87.58 -3.32 58.99 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.055 1.342 . . . . 0.0 110.996 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.378 7.0 t . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 122.796 1.284 . . . . 0.0 112.186 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 5' ' ' ILE . 6.7 tt -89.04 -34.63 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.552 2.341 . . . . 0.0 110.065 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.62 -34.44 65.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.621 1.568 . . . . 0.0 112.422 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.2 m -69.01 -47.66 64.92 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.568 -2.582 . . . . 0.0 112.439 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.56 -35.63 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.731 -1.856 . . . . 0.0 114.879 166.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -69.69 -51.5 33.96 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.555 2.342 . . . . 0.0 111.448 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.16 -49.98 50.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.245 1.418 . . . . 0.0 114.47 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.469 HG12 HG11 ' B' ' 42' ' ' VAL . 24.3 mt -70.5 -25.55 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 119.396 -2.065 . . . . 0.0 114.097 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.42 -55.13 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.975 -2.328 . . . . 0.0 112.052 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.0 -37.04 85.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.414 1.486 . . . . 0.0 113.833 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 17' ' ' ILE . 2.8 t -61.46 -42.99 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 125.32 1.448 . . . . 0.0 112.823 171.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.65 70.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.088 -2.257 . . . . 0.0 113.063 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 99.2 p -67.87 -22.93 65.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.101 -2.249 . . . . 0.0 114.835 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 14' ' ' VAL . 20.8 mm -51.82 -54.06 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.061 1.345 . . . . 0.0 112.327 159.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB ' ' B' ' 26' ' ' ILE . 3.0 mp -57.7 -42.99 84.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.48 -34.54 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.758 -1.839 . . . . 0.0 113.456 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -48.71 65.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.67 -1.894 . . . . 0.0 114.113 167.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -81.78 1.75 33.19 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.488 -1.383 . . . . 0.0 114.452 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t 57.7 41.79 24.76 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 126.742 2.017 . . . . 0.0 114.845 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.72 48.02 0.85 Allowed 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.158 2.583 . . . . 0.0 109.85 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.251 0.1 OUTLIER -71.57 -16.67 62.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.789 -1.819 . . . . 0.0 114.765 -178.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -54.56 -29.61 51.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.424 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.1 mt -71.79 -40.77 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.712 -1.867 . . . . 0.0 110.481 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.99 -42.61 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.279 1.832 . . . . 0.0 111.267 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 13.5 tm-20 -50.77 -19.77 1.06 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -130.44 122.82 28.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.339 -1.476 . . . . 0.0 109.079 173.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -56.36 -41.85 76.83 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.578 1.151 . . . . 0.0 113.388 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.86 -30.64 69.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.397 -2.064 . . . . 0.0 116.109 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -77.07 -33.43 57.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.08 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.13 -48.96 77.81 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.401 1.88 . . . . 0.0 112.799 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 54' ' ' PHE . 32.2 mt -60.42 -36.22 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.199 2.2 . . . . 0.0 112.83 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.45 69.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.99 1.316 . . . . 0.0 108.002 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 5.0 t80 -54.21 -42.98 70.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.038 2.135 . . . . 0.0 115.762 167.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.71 -38.21 80.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.894 -2.379 . . . . 0.0 113.929 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.24 -26.95 65.04 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.428 -2.045 . . . . 0.0 113.412 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.98 -57.75 5.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.026 1.33 . . . . 0.0 112.969 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.544 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -87.89 -19.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.802 -1.186 . . . . 0.0 112.838 -170.278 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.31 7.72 Favored Glycine 0 N--CA 1.429 -1.798 0 N-CA-C 115.87 1.108 . . . . 0.0 115.87 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.544 HG23 HD11 ' B' ' 40' ' ' ILE 0.324 21.9 t -70.22 116.79 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 120.575 -1.544 . . . . 0.0 110.531 160.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -121.21 154.16 36.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.392 1.077 . . . . 0.0 110.541 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.29 9.3 t60 -86.86 -95.32 0.09 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.108 -0.995 . . . . 0.0 113.259 172.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.3 53.19 2.25 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.785 -1.822 . . . . 0.0 111.954 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 7.78 66.2 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 118.42 -2.675 . . . . 0.0 115.049 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -122.44 155.44 36.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.735 1.614 . . . . 0.0 111.281 -170.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -65.7 132.67 49.35 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.706 1.603 . . . . 0.0 111.377 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.91 130.23 34.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 123.092 1.425 . . . . 0.0 112.016 -162.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -96.12 158.3 15.5 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.116 1.366 . . . . 0.0 112.227 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -65.98 -40.12 90.96 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.665 -1.272 . . . . 0.0 113.794 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -76.38 -46.49 27.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.271 1.428 . . . . 0.0 113.166 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.7 m -79.39 -9.55 59.62 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.502 -1.374 . . . . 0.0 113.752 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' B' ' 34' ' ' ILE . 90.3 t80 -64.34 -51.66 62.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.574 -1.329 . . . . 0.0 109.771 159.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -66.41 -25.22 66.66 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.982 -1.699 . . . . 0.0 112.346 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.32 3.1 pttp -64.13 -52.07 60.9 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 167.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.296 23.6 pt -46.33 -44.11 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 121.73 2.059 . . . . 0.0 115.264 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.91 -40.94 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -74.95 -46.47 35.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.64 9.1 2.44 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.347 1.859 . . . . 0.0 115.737 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 140.96 58.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.324 -1.485 . . . . 0.0 111.936 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 81.8 p -86.72 171.25 11.07 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.806 -1.184 . . . . 0.0 109.89 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.73 -38.62 91.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.415 -1.428 . . . . 0.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.43 -35.58 77.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 171.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -66.93 -37.93 85.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.968 -1.708 . . . . 0.0 111.862 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -77.56 -36.73 51.85 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.315 -1.491 . . . . 0.0 110.762 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -43.15 67.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.935 1.294 . . . . 0.0 111.799 162.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -64.34 -44.59 91.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -47.27 87.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.78 -1.2 . . . . 0.0 112.974 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.6 mt -55.8 -39.35 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.752 1.221 . . . . 0.0 112.941 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.0 -35.59 80.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.027 -1.671 . . . . 0.0 114.815 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -86.55 -40.99 14.69 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.105 -1.622 . . . . 0.0 111.758 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.22 70.26 0.88 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.898 1.679 . . . . 0.0 109.061 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -56.34 -69.69 0.14 Allowed 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.791 1.636 . . . . 0.0 112.287 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -58.08 -51.51 69.41 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.074 1.749 . . . . 0.0 112.862 177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.99 -53.03 24.87 Favored Glycine 0 N--CA 1.431 -1.691 0 O-C-N 120.87 -1.144 . . . . 0.0 115.645 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.28 5.5 t80 -73.02 -33.2 65.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 119.934 1.867 . . . . 0.0 110.456 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.66 -53.87 45.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 121.198 1.817 . . . . 0.0 114.061 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.81 10.49 Favored Glycine 0 N--CA 1.431 -1.658 0 O-C-N 119.596 -1.94 . . . . 0.0 116.067 171.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.08 -17.79 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 118.372 -2.84 . . . . 0.0 114.036 -170.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -87.28 -10.85 51.31 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.222 -1.549 . . . . 0.0 111.985 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -62.82 -46.15 89.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.892 -2.38 . . . . 0.0 110.043 157.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -69.17 -54.37 15.21 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.913 1.685 . . . . 0.0 110.484 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.0 mt -59.91 -42.63 94.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.153 -1.592 . . . . 0.0 111.398 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.24 -40.67 90.38 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.119 -1.613 . . . . 0.0 115.056 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.2 ptp -75.51 -14.78 60.43 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.38 -1.45 . . . . 0.0 114.436 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 21.8 m-85 -94.11 -4.46 49.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.089 1.356 . . . . 0.0 110.985 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.456 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 166.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 . . . . . 0 N--CA 1.429 -1.485 0 CA-C-O 123.399 1.571 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -58.89 -39.57 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 C-N-CA 127.166 2.186 . . . . 0.0 113.419 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -46.33 84.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.838 1.655 . . . . 0.0 111.734 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -67.83 -42.27 81.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.3 83.1 t -46.7 -47.41 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 162.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -67.43 -40.17 85.45 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -74.77 -26.26 59.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 118.091 -2.881 . . . . 0.0 114.882 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.65 -33.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.965 -1.709 . . . . 0.0 111.54 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 80' ' ' VAL . 20.7 mt -57.36 -44.72 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 121.018 1.735 . . . . 0.0 113.957 170.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.281 7.0 p -65.6 -44.32 86.97 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.304 -0.873 . . . . 0.0 111.421 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.564 HG13 HD11 ' B' ' 17' ' ' ILE . 29.4 t -55.85 -42.1 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 125.984 1.713 . . . . 0.0 114.654 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.4 -29.57 37.74 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 117.477 -1.689 . . . . 0.0 107.148 -168.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.5 p -72.09 -13.91 61.71 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.594 -1.942 . . . . 0.0 114.486 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' B' ' 17' ' ' ILE . 29.7 mm -60.58 -51.55 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 CA-C-N 121.065 1.757 . . . . 0.0 111.87 160.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.89 -33.02 74.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.557 -1.339 . . . . 0.0 112.628 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.282 37.1 mt -72.0 -31.93 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.614 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -57.83 -43.48 85.84 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.613 -1.304 . . . . 0.0 113.592 168.62 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.92 2.09 56.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.505 1.522 . . . . 0.0 114.094 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.373 1.7 t 54.18 51.33 14.66 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 118.939 2.94 . . . . 0.0 118.939 -171.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -115.41 51.33 0.93 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 168.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -18.27 64.78 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.744 2.018 . . . . 0.0 115.131 174.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -48.15 -32.0 6.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 162.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.22 -48.31 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.53 -2.606 . . . . 0.0 111.006 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.56 -43.93 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 C-N-CA 125.874 1.67 . . . . 0.0 111.28 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 4.8 tm-20 -50.16 -24.75 2.98 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -111.92 126.39 55.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.86 -1.775 . . . . 0.0 110.496 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -41.98 -53.27 3.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.169 2.588 . . . . 0.0 114.297 172.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.47 32.5 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.026 -2.296 . . . . 0.0 114.418 -172.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -68.85 -35.09 76.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 119.5 1.046 . . . . 0.0 112.34 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -58.61 -55.81 30.25 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 54' ' ' PHE . 58.5 mt -54.96 -29.51 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 O-C-N 119.104 -2.247 . . . . 0.0 116.179 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.56 61.68 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.273 -2.142 . . . . 0.0 112.979 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.303 2.0 t80 -71.38 -38.74 71.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.308 1.443 . . . . 0.0 111.548 170.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.3 -44.41 84.07 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.891 1.276 . . . . 0.0 112.516 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.33 -23.37 66.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.14 1.376 . . . . 0.0 113.907 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.0 -64.33 1.21 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 119.71 1.141 . . . . 0.0 112.767 172.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 HD13 ' B' ' 17' ' ' ILE 0.281 0.1 OUTLIER -72.58 -17.02 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-N 121.43 1.923 . . . . 0.0 113.675 -173.645 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 38.1 5.54 Favored Glycine 0 N--CA 1.43 -1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 114.87 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG23 HD11 ' A' ' 40' ' ' ILE . 51.5 t -74.93 114.58 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.6 p -96.57 156.2 16.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.341 1.057 . . . . 0.0 109.85 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.286 25.6 t60 -77.82 -99.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 157.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -88.25 49.34 1.78 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.321 -2.112 . . . . 0.0 111.361 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.54 6.95 72.48 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -117.59 162.73 17.54 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.528 -0.983 . . . . 0.0 109.167 -170.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.91 140.13 53.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.955 -1.091 . . . . 0.0 111.441 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.28 127.24 40.03 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 -164.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -97.43 -173.07 2.55 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.071 -1.018 . . . . 0.0 111.674 -171.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -90.29 -43.72 10.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.307 -2.121 . . . . 0.0 111.193 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -60.67 -50.18 74.52 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-O 122.653 1.216 . . . . 0.0 114.136 175.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -83.38 -7.58 59.54 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.105 1.362 . . . . 0.0 113.893 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.0 t80 -71.84 -46.26 58.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.638 -1.914 . . . . 0.0 107.704 166.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -70.88 -16.84 62.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.577 -1.952 . . . . 0.0 110.982 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 12.3 ptpt -66.1 -48.12 71.95 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 162.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 36.5 pt -57.32 -44.73 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 124.639 1.175 . . . . 0.0 113.942 -174.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.78 -48.17 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 C-N-CA 124.445 1.098 . . . . 0.0 113.757 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -76.47 -54.07 7.23 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.895 -1.753 . . . . 0.0 113.576 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.322 5.9 pt-20 -82.75 12.93 4.2 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -165.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.1 mt -53.04 155.8 2.36 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.62 -1.3 . . . . 0.0 113.995 170.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.9 p -85.46 170.09 13.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.778 . . . . 0.0 110.945 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.66 -27.8 64.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.387 -2.071 . . . . 0.0 114.603 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.87 -34.42 76.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.076 -2.265 . . . . 0.0 114.561 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -65.09 -42.06 94.4 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.435 1.494 . . . . 0.0 112.345 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.05 -34.88 57.13 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.486 -1.384 . . . . 0.0 110.593 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -62.55 -31.82 72.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.305 -2.122 . . . . 0.0 112.401 166.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 m -67.63 -35.75 79.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 119.874 1.215 . . . . 0.0 114.133 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.63 -45.53 89.82 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.13 -1.606 . . . . 0.0 112.99 165.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.24 -38.33 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.153 1.381 . . . . 0.0 112.72 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.24 -44.48 71.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.114 -1.616 . . . . 0.0 114.382 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.84 -19.69 24.34 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 113.167 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.99 83.69 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.941 -1.724 . . . . 0.0 112.719 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.93 -59.2 2.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.758 -1.839 . . . . 0.0 114.514 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.53 -37.8 71.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.47 -1.394 . . . . 0.0 110.971 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -67.44 -55.36 15.57 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 125.286 1.422 . . . . 0.0 115.109 -174.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.332 0.0 OUTLIER -74.19 -44.37 53.6 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.381 -1.658 . . . . 0.0 109.181 -177.538 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.69 -42.06 92.12 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 120.782 1.628 . . . . 0.0 113.98 -170.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.02 -63.52 5.12 Favored Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 167.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 76' ' ' GLY . 18.4 m -65.55 -23.14 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 118.817 -2.578 . . . . 0.0 115.676 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -76.28 -27.11 56.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.675 -2.516 . . . . 0.0 113.087 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.91 -43.29 96.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.022 1.283 . . . . 0.0 109.622 168.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.86 -59.69 4.99 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.624 1.969 . . . . 0.0 109.298 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.77 -40.68 76.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.167 -1.583 . . . . 0.0 113.836 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.15 -46.05 89.05 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.089 -2.257 . . . . 0.0 116.445 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -71.66 -20.23 61.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.63 -1.919 . . . . 0.0 113.511 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 12.1 m-85 -80.51 -15.65 56.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.3 2.9 t . . . . . 0 N--CA 1.431 -1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 111.651 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ASN . . . . . 0.417 ' O ' HG23 ' B' ' 8' ' ' VAL . 92.3 m-20 . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 tt -52.91 -53.06 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -27.5 67.73 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.139 1.775 . . . . 0.0 113.608 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 120.028 1.285 . . . . 0.0 112.654 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.434 HG21 HD11 ' B' ' 61' ' ' LEU . 3.6 t -61.88 -50.31 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 122.722 2.51 . . . . 0.0 109.927 173.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' B' ' 73' ' ' PHE . 18.7 ttt-85 -39.02 -58.22 1.15 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.487 3.115 . . . . 0.0 116.771 171.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.28 -20.91 59.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.125 -2.234 . . . . 0.0 116.883 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 mt -80.4 -23.73 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.558 -1.964 . . . . 0.0 111.346 174.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.75 -48.26 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 119.366 -2.084 . . . . 0.0 113.261 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.9 p -58.54 -50.55 73.38 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.37 -37.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 119.442 3.127 . . . . 0.0 119.442 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.33 -36.33 81.23 Favored 'General case' 0 N--CA 1.431 -1.399 1 O-C-N 112.287 -6.508 . . . . 0.0 112.362 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -66.1 -23.48 66.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 mm -59.65 -49.93 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.42 -2.05 . . . . 0.0 109.684 170.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.25 -38.98 88.63 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.932 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -66.4 -40.04 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 119.43 -2.044 . . . . 0.0 115.393 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -38.95 18.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 166.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -93.29 2.87 56.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.322 -2.111 . . . . 0.0 114.318 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t 71.75 44.35 0.5 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.21 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.14 50.86 1.5 Allowed 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.037 0.935 . . . . 0.0 109.86 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.341 0.1 OUTLIER -66.28 -10.93 47.21 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.31 -41.83 60.77 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.69 2.396 . . . . 0.0 117.206 165.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.64 -40.27 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.07 -2.268 . . . . 0.0 110.774 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.3 -40.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.651 1.98 . . . . 0.0 113.464 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.9 pt-20 -67.95 -13.59 62.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -164.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -124.58 127.93 48.13 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.623 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -47.84 -40.08 20.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 171.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.7 74.09 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.327 -2.108 . . . . 0.0 115.31 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -65.16 -32.27 73.88 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 122.265 1.031 . . . . 0.0 113.458 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.45 -53.5 34.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 113.902 173.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -52.25 -38.87 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 128.332 2.653 . . . . 0.0 115.315 166.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.55 93.63 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.131 -0.981 . . . . 0.0 110.617 173.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -41.14 96.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.149 1.38 . . . . 0.0 114.025 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.87 -42.78 68.97 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 112.922 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -72.56 -19.48 61.49 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.297 -1.502 . . . . 0.0 114.528 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -54.41 8.32 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.262 -2.149 . . . . 0.0 111.376 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 pt -80.07 -24.68 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-O 121.83 0.824 . . . . 0.0 112.02 -169.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.05 36.29 5.79 Favored Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.13 117.13 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-O 123.634 1.683 . . . . 0.0 110.067 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.0 p -99.56 152.67 19.77 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.844 2.058 . . . . 0.0 106.925 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.16 -99.88 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.833 -1.167 . . . . 0.0 112.769 159.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -85.0 46.1 1.24 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.971 -2.331 . . . . 0.0 111.935 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.74 -0.94 80.49 Favored Glycine 0 N--CA 1.43 -1.762 0 O-C-N 119.422 -2.048 . . . . 0.0 114.225 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -106.15 157.23 17.71 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.006 1.722 . . . . 0.0 110.08 -167.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.24 134.67 45.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.544 -0.722 . . . . 0.0 109.935 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 129.57 42.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -167.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -100.67 170.74 8.15 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.852 1.261 . . . . 0.0 109.205 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -73.33 -36.85 66.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.11 -0.994 . . . . 0.0 113.549 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -74.87 -42.48 57.81 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 123.587 1.66 . . . . 0.0 112.641 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -60.48 -36.17 77.66 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.542 -1.974 . . . . 0.0 114.885 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -56.28 -48.93 75.62 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-O 123.973 1.844 . . . . 0.0 113.356 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -75.44 -10.9 59.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.57 1.652 . . . . 0.0 112.906 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -82.74 -46.26 13.38 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 113.717 -3.193 . . . . 0.0 115.133 170.013 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.326 28.0 pt -53.12 -47.31 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.773 -2.454 . . . . 0.0 116.445 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 m -74.83 -34.32 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.75 -54.91 6.21 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -78.15 8.67 4.55 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -163.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.434 HD11 HG21 ' B' ' 8' ' ' VAL . 82.4 mt -57.02 149.44 19.04 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.844 -1.785 . . . . 0.0 115.707 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -80.9 173.92 12.13 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.604 1.192 . . . . 0.0 111.277 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -67.79 -44.36 77.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.089 -1.632 . . . . 0.0 110.873 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.39 -39.49 76.19 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.236 1.814 . . . . 0.0 112.259 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -61.81 -39.95 93.53 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 122.502 1.144 . . . . 0.0 113.582 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -77.74 -37.74 48.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.132 -0.98 . . . . 0.0 111.325 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -64.51 -34.15 77.55 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.204 -1.56 . . . . 0.0 109.094 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.9 m -63.42 -45.49 90.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 122.153 2.252 . . . . 0.0 110.66 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.89 -37.66 87.79 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 123.767 0.827 . . . . 0.0 113.204 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.65 -43.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 118.894 0.77 . . . . 0.0 112.184 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.1 -47.9 72.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -69.28 -42.58 75.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 122.923 1.344 . . . . 0.0 113.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' B' ' 9' ' ' ARG . 71.5 m-85 -115.74 60.58 0.71 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.08 -2.263 . . . . 0.0 110.687 -169.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -48.25 -71.77 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -63.28 -41.63 99.02 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 123.177 1.465 . . . . 0.0 113.487 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -55.19 20.42 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.266 1.412 . . . . 0.0 115.095 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.3 -19.36 50.65 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 119.79 1.795 . . . . 0.0 111.094 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.32 -58.02 10.35 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.704 1.593 . . . . 0.0 112.181 164.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.46 -67.21 2.33 Favored Glycine 0 N--CA 1.431 -1.695 0 CA-C-O 122.883 1.268 . . . . 0.0 115.005 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.22 -19.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 118.426 -2.808 . . . . 0.0 115.272 -165.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.44 -16.38 54.52 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.747 1.158 . . . . 0.0 111.698 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -60.38 -50.64 72.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 122.942 2.61 . . . . 0.0 113.434 157.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.04 -60.41 3.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.516 1.527 . . . . 0.0 109.48 -174.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.98 -49.53 20.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.303 1.441 . . . . 0.0 114.669 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.87 -50.45 70.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 124.151 0.907 . . . . 0.0 111.422 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 15.0 ptp -67.91 -24.81 65.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.757 -1.214 . . . . 0.0 114.21 -172.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.8 m-30 -78.93 -9.64 59.57 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.964 0.905 . . . . 0.0 113.226 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.433 0.2 OUTLIER . . . . . 0 N--CA 1.431 -1.406 0 CA-C-O 122.901 1.334 . . . . 0.0 111.594 177.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.454 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 6' ' ' ASP . 19.1 tt -65.27 -47.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 125.914 1.686 . . . . 0.0 112.502 -174.315 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 5' ' ' ILE . 72.3 m-20 -47.29 -45.89 24.46 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 170.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.9 m -79.63 -28.76 40.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.179 0.99 . . . . 0.0 111.748 177.126 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -64.92 -46.82 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.626 -1.921 . . . . 0.0 108.698 174.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -50.36 -45.74 55.34 Favored 'General case' 0 N--CA 1.43 -1.473 1 O-C-N 115.483 -4.511 . . . . 0.0 121.401 169.299 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -78.81 -20.61 49.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.657 -1.277 . . . . 0.0 110.811 -175.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.284 29.1 mt -79.24 -30.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.598 172.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.69 -45.87 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.42 2.288 . . . . 0.0 114.345 174.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 p -71.04 -35.76 72.1 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.0 111.263 -177.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -61.08 -38.62 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.185 1.394 . . . . 0.0 112.799 170.294 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.12 75.39 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.595 -1.941 . . . . 0.0 112.824 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -65.55 -21.25 66.59 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.214 -1.554 . . . . 0.0 114.932 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.519 HG21 HG21 ' B' ' 17' ' ' ILE . 1.1 mm -62.53 -50.08 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.71 1.604 . . . . 0.0 112.987 167.828 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -41.63 74.97 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.476 -1.39 . . . . 0.0 114.416 173.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 24' ' ' GLU . 32.5 mt -69.61 -31.74 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.024 0.93 . . . . 0.0 111.258 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.256 0.8 OUTLIER -55.46 -42.18 73.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.974 -2.329 . . . . 0.0 113.225 168.535 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -90.97 1.19 57.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.52 -2.612 . . . . 0.0 115.083 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.258 7.7 t 59.16 49.11 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.072 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -113.73 45.68 1.41 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.365 2.266 . . . . 0.0 110.321 170.782 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HB3' HG12 ' A' ' 19' ' ' ILE 0.278 1.0 OUTLIER -74.27 -14.1 60.86 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 124.374 2.035 . . . . 0.0 114.422 -173.674 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -54.16 -35.04 61.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 166.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.31 -40.4 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 124.386 2.041 . . . . 0.0 111.508 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.24 -33.04 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.114 2.566 . . . . 0.0 111.049 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 10.6 tm-20 -69.47 -14.18 62.74 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.614 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -124.05 121.0 34.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.001 -1.687 . . . . 0.0 110.886 176.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -30.4 -63.58 0.14 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.001 3.32 . . . . 0.0 116.894 169.068 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.51 -24.65 56.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.063 -1.648 . . . . 0.0 114.489 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -81.72 -27.69 33.77 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.649 -1.907 . . . . 0.0 108.25 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -64.52 -50.17 68.39 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.194 0.998 . . . . 0.0 112.842 171.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 mt -53.86 -39.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.922 2.489 . . . . 0.0 114.424 171.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.84 84.54 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.402 -1.436 . . . . 0.0 110.707 175.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.331 3.2 t80 -53.09 -47.14 68.77 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.312 1.845 . . . . 0.0 113.278 169.215 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.63 -41.17 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.606 1.562 . . . . 0.0 115.105 173.312 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -75.18 -22.38 58.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.335 -1.478 . . . . 0.0 114.252 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.49 -57.71 5.4 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 119.567 1.076 . . . . 0.0 108.507 173.561 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 pt -71.65 -17.97 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 123.846 0.859 . . . . 0.0 112.636 -173.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.5 46.41 5.22 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 125.5 1.524 . . . . 0.0 116.71 172.037 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.66 101.17 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.272 1.536 . . . . 0.0 109.619 173.016 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -97.63 120.61 38.32 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.028 0.918 . . . . 0.0 109.413 -177.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -65.3 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.32 -1.487 . . . . 0.0 114.716 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -87.56 42.61 1.05 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.018 -2.301 . . . . 0.0 110.605 -179.166 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.06 19.14 79.5 Favored Glycine 0 N--CA 1.43 -1.754 0 O-C-N 119.063 -2.273 . . . . 0.0 114.788 -166.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -118.77 148.31 42.95 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.523 -1.575 . . . . 0.0 107.349 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.54 128.8 36.68 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.438 -0.789 . . . . 0.0 111.197 170.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.87 128.5 34.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.802 1.287 . . . . 0.0 111.856 -150.425 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.95 153.23 18.99 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.406 -1.434 . . . . 0.0 110.886 -170.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.674 -1.891 . . . . 0.0 114.93 -176.106 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -71.39 -34.64 70.58 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.982 1.713 . . . . 0.0 113.52 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.1 m -84.22 -23.73 30.35 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.664 -1.272 . . . . 0.0 112.35 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.49 -52.49 61.08 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.957 1.703 . . . . 0.0 110.029 167.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -61.09 -30.37 70.31 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.918 -1.114 . . . . 0.0 112.589 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.339 12.3 ptpt -71.17 -41.37 70.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 169.219 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.342 13.8 pt -57.12 -45.04 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.889 -1.757 . . . . 0.0 114.498 173.356 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.08 -43.37 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -74.82 -50.1 18.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.041 -1.662 . . . . 0.0 115.102 -173.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.264 10.3 pt-20 -87.59 12.74 11.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 -168.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 mt -44.12 145.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.727 2.811 . . . . 0.0 115.087 178.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.8 p -84.57 164.52 18.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 109.433 -175.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.01 -39.53 74.9 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.205 -1.559 . . . . 0.0 111.95 173.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -68.38 -29.49 68.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.573 2.349 . . . . 0.0 114.138 176.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.87 -38.68 76.48 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.445 -2.035 . . . . 0.0 111.502 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.72 -54.15 7.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.699 2.0 . . . . 0.0 109.66 -177.46 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -44.59 -32.79 1.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.926 1.29 . . . . 0.0 114.327 164.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 m -77.41 -37.92 50.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.092 -2.255 . . . . 0.0 110.421 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.0 -30.31 50.04 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.681 -1.262 . . . . 0.0 110.041 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.81 -41.3 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.25 -0.907 . . . . 0.0 113.431 171.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -69.61 -39.22 77.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 175.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.2 -32.37 18.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.846 -1.784 . . . . 0.0 113.181 -172.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -122.2 63.09 0.94 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.663 1.585 . . . . 0.0 109.3 -172.294 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -57.01 -71.12 0.1 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -166.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.09 -42.3 89.52 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.117 1.767 . . . . 0.0 111.753 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -63.08 5.48 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 126.029 1.776 . . . . 0.0 115.137 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.292 3.0 t80 -72.68 -41.07 65.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 117.648 -1.168 . . . . 0.0 110.08 -171.759 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -46.72 -47.28 20.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.082 2.219 . . . . 0.0 115.999 171.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.55 -63.79 3.54 Favored Glycine 0 N--CA 1.429 -1.826 0 C-N-CA 124.045 0.831 . . . . 0.0 114.881 172.483 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.77 -22.61 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 118.709 -2.642 . . . . 0.0 113.688 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.43 -35.84 65.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.979 -1.701 . . . . 0.0 112.969 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -49.42 -44.21 45.16 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.723 2.056 . . . . 0.0 114.256 164.096 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -68.1 -52.01 39.9 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.205 1.002 . . . . 0.0 108.754 -176.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.74 -30.1 70.72 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.171 -2.83 . . . . 0.0 116.297 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.78 -64.37 0.87 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.617 -1.302 . . . . 0.0 108.614 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 ptp -57.29 -23.98 51.95 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.01 3.337 . . . . 0.0 120.01 -177.093 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.3 m-30 -89.07 3.53 51.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.203 1.365 . . . . 0.0 111.325 -174.294 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.429 -1.488 0 O-C-N 121.444 -0.785 . . . . 0.0 110.699 169.335 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.4 tt -41.13 -49.86 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.767 2.827 . . . . 0.0 115.358 170.646 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -56.65 -34.93 67.8 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.459 2.304 . . . . 0.0 113.567 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.53 -31.26 32.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 111.086 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.46 -42.73 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.489 -2.007 . . . . 0.0 111.698 170.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -52.85 -55.61 21.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 131.391 3.876 . . . . 0.0 114.099 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -67.47 -27.55 67.11 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.09 -27.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 120.365 -1.459 . . . . 0.0 113.112 173.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.07 -53.08 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 118.938 -2.351 . . . . 0.0 113.285 170.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -68.74 -39.74 80.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.037 0.935 . . . . 0.0 110.387 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.9 -36.4 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 167.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.32 -26.85 30.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.534 -1.979 . . . . 0.0 111.482 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.354 80.9 p -69.74 -22.73 63.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 168.259 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.611 HD11 HG13 ' A' ' 14' ' ' VAL . 21.1 mm -57.58 -53.59 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-N 120.866 1.667 . . . . 0.0 112.175 162.503 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 7.3 mt -64.66 -31.69 73.02 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.833 -175.148 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.76 -27.41 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.581 1.552 . . . . 0.0 110.451 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -51.01 71.64 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.02 1.328 . . . . 0.0 112.126 163.403 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.441 -1.412 . . . . 0.0 112.906 177.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.335 1.9 t 91.7 35.64 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.211 2.205 . . . . 0.0 111.286 169.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -118.99 57.02 0.89 Allowed 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 127.856 2.463 . . . . 0.0 110.681 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.56 -16.56 56.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 176.001 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -19.49 -53.32 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 129.39 3.076 . . . . 0.0 119.277 156.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -77.62 -36.26 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 124.671 1.189 . . . . 0.0 112.631 -177.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 t -67.92 -41.31 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 126.426 1.89 . . . . 0.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -54.98 -28.99 55.97 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 129.787 3.235 . . . . 0.0 116.052 -178.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -122.27 118.75 29.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.37 -1.457 . . . . 0.0 111.156 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -46.14 68.93 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.81 -27.86 66.23 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.401 -2.062 . . . . 0.0 115.433 -178.697 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.33 -31.04 30.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -62.15 -50.09 73.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.277 1.431 . . . . 0.0 112.722 170.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.415 ' HA ' ' HG ' ' B' ' 37' ' ' LEU . 37.7 mt -55.44 -39.04 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 128.036 2.534 . . . . 0.0 114.356 172.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.76 73.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.764 -1.21 . . . . 0.0 108.882 176.195 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 6.3 t80 -57.35 -40.62 78.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.967 2.507 . . . . 0.0 110.76 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' B' ' 34' ' ' ILE . 10.1 mt -55.67 -44.12 76.96 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 121.406 1.912 . . . . 0.0 114.119 172.215 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -68.66 -34.06 75.06 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.066 -1.646 . . . . 0.0 114.256 172.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.96 -49.46 70.24 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.463 -1.398 . . . . 0.0 114.74 173.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 pt -79.43 -25.44 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.032 -1.668 . . . . 0.0 110.685 -174.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.55 49.36 3.68 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -176.594 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.87 127.26 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 118.519 1.159 . . . . 0.0 109.848 157.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -118.31 149.48 41.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.48 1.912 . . . . 0.0 107.884 176.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.268 36.4 t60 -77.93 -103.07 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 111.528 174.163 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -87.66 51.51 2.24 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.248 -1.532 . . . . 0.0 109.94 -174.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.04 5.33 58.19 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.448 -1.407 . . . . 0.0 115.192 -169.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -123.95 171.41 9.74 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 119.673 1.737 . . . . 0.0 109.452 -173.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -72.98 136.82 45.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.39 124.28 34.82 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.491 -1.38 . . . . 0.0 111.755 -168.816 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.78 164.84 11.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.749 1.62 . . . . 0.0 111.726 -167.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.59 -43.29 69.68 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.03 -1.669 . . . . 0.0 112.374 -177.251 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -73.94 -38.49 64.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.94 -1.1 . . . . 0.0 113.256 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -76.3 -23.09 54.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.499 -1.375 . . . . 0.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -48.2 77.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.975 1.369 . . . . 0.0 110.803 168.29 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -66.4 -30.06 70.35 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.77 -1.206 . . . . 0.0 114.16 -177.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.335 0.1 OUTLIER -63.24 -52.15 63.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 164.741 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 57' ' ' ILE 0.322 28.8 pt -53.19 -47.75 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 120.756 1.616 . . . . 0.0 115.088 179.392 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.19 -28.91 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.678 -1.889 . . . . 0.0 115.809 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -90.39 -51.29 5.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.139 -1.6 . . . . 0.0 115.227 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.366 8.0 pt-20 -84.2 10.93 9.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -164.552 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.17 154.92 2.85 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.822 -1.173 . . . . 0.0 113.435 166.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -94.07 173.71 7.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.092 -1.63 . . . . 0.0 109.159 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.15 -44.72 94.77 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.289 -1.507 . . . . 0.0 111.966 172.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -56.23 -45.35 80.01 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 173.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.8 -35.19 79.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.607 1.563 . . . . 0.0 112.693 177.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -75.05 -46.51 34.38 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.467 -1.396 . . . . 0.0 108.736 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -34.69 58.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 167.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 73.0 m -61.77 -40.13 94.1 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.055 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -77.38 -39.53 46.96 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.531 -1.356 . . . . 0.0 112.595 175.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 73.8 mt -52.36 -42.07 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.042 1.337 . . . . 0.0 113.157 171.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -66.39 -42.21 88.24 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.409 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -87.64 -36.08 17.67 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.029 -1.669 . . . . 0.0 112.072 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.47 60.98 0.75 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.99 1.716 . . . . 0.0 110.072 -171.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -52.45 -64.98 0.64 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.024 1.393 . . . . 0.0 114.177 -173.418 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -39.05 89.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.143 -1.598 . . . . 0.0 114.358 -179.212 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.59 15.16 Favored Glycine 0 N--CA 1.43 -1.748 0 O-C-N 121.155 -0.966 . . . . 0.0 114.172 -175.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.47 -24.31 61.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.515 1.158 . . . . 0.0 108.979 -174.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.82 -58.1 9.61 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 118.941 -2.35 . . . . 0.0 112.982 169.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.36 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.672 0 O-C-N 120.64 -1.288 . . . . 0.0 113.517 174.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -66.22 -26.26 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.581 -2.129 . . . . 0.0 115.659 -172.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.54 -11.83 59.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.099 2.682 . . . . 0.0 112.968 177.225 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -64.28 -49.86 70.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.474 -2.641 . . . . 0.0 113.071 158.085 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.77 -61.57 2.21 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.624 2.37 . . . . 0.0 107.945 -171.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 88.2 mt -47.44 -38.57 13.77 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -74.93 -36.48 62.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.178 -1.577 . . . . 0.0 111.344 -175.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 16.0 ptp -78.18 -28.96 48.3 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.356 -175.774 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.47 -2.74 57.73 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.803 -1.186 . . . . 0.0 111.371 -175.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.344 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 170.009 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 6' ' ' ASP . 20.0 tt -58.49 -52.58 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 127.415 2.286 . . . . 0.0 112.453 -173.535 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.413 ' N ' HG23 ' A' ' 5' ' ' ILE . 15.8 m-20 -48.82 -34.88 13.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.782 2.433 . . . . 0.0 114.146 176.646 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 m -84.27 -47.17 11.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.662 -2.524 . . . . 0.0 110.668 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG21 HD21 ' A' ' 61' ' ' LEU . 1.7 t -37.78 -52.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.61 -1.932 . . . . 0.0 115.773 161.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -51.45 -42.55 61.64 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 129.085 2.954 . . . . 0.0 116.603 176.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.72 -45.37 37.06 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.631 -1.918 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.465 ' H ' HG13 ' A' ' 11' ' ' ILE . 3.7 mt -59.95 -24.8 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 169.172 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.34 -48.0 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 117.305 -3.372 . . . . 0.0 112.628 172.32 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -63.92 -54.89 27.64 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.228 -1.545 . . . . 0.0 112.427 175.604 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.623 HG13 HD11 ' B' ' 17' ' ' ILE . 7.1 t -37.6 -35.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 118.749 2.87 . . . . 0.0 118.749 163.319 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.57 44.33 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 121.573 -0.704 . . . . 0.0 110.958 178.017 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.261 85.4 p -71.37 -6.29 38.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.2 -2.188 . . . . 0.0 115.276 172.311 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' B' ' 17' ' ' ILE . 2.7 mm -68.83 -55.98 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 118.93 -2.356 . . . . 0.0 107.641 167.233 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.58 -26.52 61.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 176.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -84.23 -25.92 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.472 -0.767 . . . . 0.0 111.838 174.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -43.27 76.36 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 118.938 -2.351 . . . . 0.0 113.596 163.271 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -83.66 -27.26 29.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 86.34 50.97 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.336 2.254 . . . . 0.0 110.115 -169.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -129.77 40.95 3.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.091 1.756 . . . . 0.0 107.15 177.482 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -76.51 -5.17 46.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.706 2.003 . . . . 0.0 113.307 177.05 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.49 -57.81 9.36 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 131.14 3.776 . . . . 0.0 111.591 164.061 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 26' ' ' ILE . 17.1 mt -47.09 -51.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 128.097 2.559 . . . . 0.0 114.913 166.724 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 t -57.45 -50.89 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 126.252 1.821 . . . . 0.0 111.948 -179.039 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.331 0.0 OUTLIER -38.06 -25.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 122.466 4.247 . . . . 0.0 122.466 175.454 . . . . . . . . 5 4 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -119.42 133.63 55.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.15 -1.593 . . . . 0.0 111.278 172.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 ttp85 -51.54 -50.83 59.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.504 2.721 . . . . 0.0 112.239 173.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.71 73.48 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -175.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -62.23 -38.71 90.23 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.106 1.362 . . . . 0.0 111.672 171.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -59.83 -55.16 37.71 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.552 1.941 . . . . 0.0 111.035 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -53.31 -45.06 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.42 2.688 . . . . 0.0 115.258 172.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -43.41 98.9 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.864 -1.773 . . . . 0.0 114.086 173.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -58.7 -31.49 68.3 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.482 1.913 . . . . 0.0 112.884 169.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.59 -50.93 63.29 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.821 -1.174 . . . . 0.0 111.743 171.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.14 -42.25 76.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 173.246 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.57 -62.76 1.45 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.051 1.741 . . . . 0.0 113.737 167.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 17' ' ' ILE 0.292 16.3 pt -68.6 -32.68 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-O 122.754 1.264 . . . . 0.0 113.38 -172.308 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 20.56 12.7 Favored Glycine 0 N--CA 1.429 -1.782 0 C-N-CA 127.596 2.522 . . . . 0.0 114.512 170.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.76 97.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 123.904 1.812 . . . . 0.0 113.766 169.026 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -56.93 164.88 1.41 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 161.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.379 27.7 t60 -93.71 -120.34 0.09 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 111.772 -2.467 . . . . 0.0 112.333 144.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 130.699 3.599 . . . . 0.0 120.612 169.795 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.8 12.89 55.29 Favored Glycine 0 N--CA 1.43 -1.76 1 C-N-CA 131.377 4.322 . . . . 0.0 113.556 -166.498 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -97.14 143.57 27.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.767 -2.216 . . . . 0.0 115.103 170.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -66.25 125.5 25.78 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.754 0.822 . . . . 0.0 112.284 -172.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 119.3 19.93 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -160.854 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -86.78 158.79 19.31 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.834 2.054 . . . . 0.0 112.388 -172.206 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.45 -48.4 70.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.993 -1.692 . . . . 0.0 114.68 -178.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.62 -60.3 4.02 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.05 -1.656 . . . . 0.0 115.423 168.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -64.38 -16.15 61.77 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -55.26 -60.64 3.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 117.642 -3.161 . . . . 0.0 114.125 154.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -57.38 -21.9 39.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -69.07 -56.05 8.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 114.29 162.651 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.337 35.5 pt -47.48 -46.84 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 178.668 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.03 -42.34 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 m -74.92 -68.96 0.5 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -177.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.305 5.9 pt-20 -49.61 11.06 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 121.037 3.718 . . . . 0.0 121.037 -178.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 8' ' ' VAL . 87.7 mt -60.32 131.37 50.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.423 1.489 . . . . 0.0 111.788 172.182 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 p -74.92 160.06 31.07 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 122.32 1.057 . . . . 0.0 111.317 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -45.82 -44.09 13.9 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.654 1.582 . . . . 0.0 113.615 167.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.78 -45.86 90.69 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.973 1.709 . . . . 0.0 115.194 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -58.49 -41.08 84.54 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 123.515 0.726 . . . . 0.0 111.618 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -78.74 -39.82 35.13 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.263 1.825 . . . . 0.0 110.96 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -43.28 63.67 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.618 1.167 . . . . 0.0 110.581 165.229 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -65.95 -33.07 74.99 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.21 -31.33 65.77 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.078 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.78 -53.41 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 126.297 1.839 . . . . 0.0 111.635 178.065 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -59.56 -44.07 93.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.383 -2.073 . . . . 0.0 112.909 176.102 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.73 -45.42 61.82 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.294 -1.321 . . . . 0.0 112.131 -176.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.52 43.26 2.67 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.003 -2.311 . . . . 0.0 116.901 -177.243 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -27.28 -61.81 0.09 Allowed 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 123.544 4.646 . . . . 0.0 123.544 -176.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.73 -32.05 41.13 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 118.632 -2.542 . . . . 0.0 110.213 -170.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -83.04 -44.29 7.16 Favored Glycine 0 N--CA 1.43 -1.74 0 N-CA-C 106.031 -2.828 . . . . 0.0 106.031 -162.17 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.27 39.0 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 -172.171 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -54.93 -46.75 74.98 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 169.161 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.4 -59.24 4.25 Favored Glycine 0 N--CA 1.43 -1.747 1 C-N-CA 113.877 -4.011 . . . . 0.0 115.08 178.273 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 76' ' ' GLY 0.313 3.5 m -57.35 -21.05 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 174.054 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -72.12 -28.05 63.02 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 122.437 2.381 . . . . 0.0 113.847 170.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -64.46 -39.76 94.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 115.905 -2.318 . . . . 0.0 110.992 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.92 -19.64 61.23 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -93.88 -6.32 45.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.456 -2.653 . . . . 0.0 109.256 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.16 -75.08 0.37 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.735 166.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.327 14.7 ptp -48.02 -41.39 25.49 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -165.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 6.6 m-85 -74.79 -5.44 43.46 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 173.138 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.306 8.9 t . . . . . 0 N--CA 1.431 -1.414 0 CA-C-N 121.173 1.806 . . . . 0.0 111.364 175.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 tt -59.26 -49.47 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.386 1.874 . . . . 0.0 114.846 -177.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.15 -45.96 92.5 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.2 m -59.79 -42.14 92.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.671 -1.893 . . . . 0.0 114.826 168.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 t -57.02 -40.26 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.996 -1.69 . . . . 0.0 111.375 173.642 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -62.77 -47.28 84.17 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 129.876 3.27 . . . . 0.0 115.42 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.18 -33.62 73.67 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 123.152 1.453 . . . . 0.0 111.541 177.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.255 61.0 mt -69.71 -41.42 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 113.578 175.24 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.7 mt -48.37 -53.12 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 127.134 2.173 . . . . 0.0 114.582 168.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -65.64 -33.95 77.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.575 1.55 . . . . 0.0 112.963 -177.286 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 17' ' ' ILE . 5.2 t -61.91 -51.3 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.4 1.88 . . . . 0.0 113.948 164.449 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.12 95.81 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 117.556 -3.215 . . . . 0.0 115.898 176.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.347 20.6 p -55.22 -22.44 17.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 168.169 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' A' ' 17' ' ' ILE . 8.8 mm -60.04 -53.54 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 CA-C-N 120.254 1.388 . . . . 0.0 112.239 163.516 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.28 -49.96 75.31 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.321 -1.487 . . . . 0.0 113.179 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -53.7 -38.14 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.958 -1.714 . . . . 0.0 115.231 168.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.311 0.0 OUTLIER -54.27 -45.81 72.52 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.598 1.559 . . . . 0.0 112.864 170.729 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -85.12 7.74 20.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.688 1.995 . . . . 0.0 115.67 174.18 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 62.93 37.22 12.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.925 -1.734 . . . . 0.0 114.545 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -112.63 56.69 0.67 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.208 1.403 . . . . 0.0 109.385 174.828 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.371 0.0 OUTLIER -73.0 -20.5 61.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.704 -1.247 . . . . 0.0 113.8 171.027 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -49.19 -38.07 24.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.627 2.371 . . . . 0.0 113.145 165.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mt -76.84 -30.32 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 111.889 -3.924 . . . . 0.0 112.364 177.106 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.36 -28.23 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.287 -167.025 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.2 pt-20 -69.65 1.94 3.71 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -171.317 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -134.55 135.63 42.44 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.173 -1.58 . . . . 0.0 106.954 177.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -71.38 -48.15 51.82 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.481 -2.012 . . . . 0.0 113.267 -177.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.45 33.0 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.447 -3.283 . . . . 0.0 119.69 175.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.82 -25.05 18.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 121.991 0.901 . . . . 0.0 110.938 169.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -70.28 -55.15 9.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.557 1.143 . . . . 0.0 108.799 173.007 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' B' ' 51' ' ' GLN . 13.4 mt -50.26 -50.32 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.477 2.711 . . . . 0.0 114.628 169.439 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.04 19.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 171.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.419 ' HA ' ' HB2' ' B' ' 39' ' ' GLU . 1.1 t80 -85.35 -24.82 27.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.984 0.914 . . . . 0.0 113.12 172.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.9 -38.17 67.0 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.956 -2.34 . . . . 0.0 110.015 176.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.27 -58.45 8.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.9 1.28 . . . . 0.0 112.041 168.3 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 36' ' ' PHE . 21.4 mm-40 -36.35 -47.07 0.58 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -96.77 -33.13 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.268 -1.52 . . . . 0.0 111.507 -175.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 57.35 1.22 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -172.369 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -97.55 118.36 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 160.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -125.39 158.94 33.05 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.039 2.135 . . . . 0.0 114.596 -171.127 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.402 ' CD2' ' CD ' ' B' ' 45' ' ' GLU . 7.3 t60 -82.2 -92.19 0.06 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.471 -177.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' CD2' ' B' ' 44' ' ' HIS . 7.6 mp0 -92.14 46.13 1.25 Allowed 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 117.32 -1.752 . . . . 0.0 108.382 -166.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.96 6.42 87.31 Favored Glycine 0 N--CA 1.43 -1.739 0 C-N-CA 127.509 2.481 . . . . 0.0 114.304 -167.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -125.28 154.75 41.24 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.259 2.03 . . . . 0.0 108.832 -165.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.12 134.35 53.57 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.548 -1.345 . . . . 0.0 110.792 -168.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 144.08 26.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -153.199 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -100.27 161.99 13.25 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -173.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' B' ' 34' ' ' ILE . 67.2 mt-30 -72.66 -49.67 30.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.103 1.32 . . . . 0.0 112.799 173.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.7 -66.76 0.33 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.049 -1.657 . . . . 0.0 114.494 169.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -18.11 0.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.809 2.522 . . . . 0.0 117.809 168.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.413 ' CZ ' HG11 ' B' ' 58' ' ' VAL . 68.1 t80 -82.85 -32.1 27.66 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.573 -3.204 . . . . 0.0 110.84 174.348 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -79.92 -18.02 51.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.427 1.639 . . . . 0.0 115.427 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -53.3 15.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.734 -1.229 . . . . 0.0 111.927 163.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.264 10.1 pt -54.66 -46.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.413 HG11 ' CZ ' ' B' ' 54' ' ' PHE . 26.8 m -75.44 -31.77 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -172.088 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -77.5 -71.02 0.44 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 175.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -47.32 -6.39 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 -173.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 mt -40.12 136.08 1.25 Allowed 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.23 -2.169 . . . . 0.0 114.872 165.337 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . 0.262 23.4 p -82.4 177.86 8.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 122.915 1.34 . . . . 0.0 109.298 -178.282 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.6 -20.89 65.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.475 -2.016 . . . . 0.0 110.35 167.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.43 -49.33 9.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.039 -2.288 . . . . 0.0 108.373 -173.592 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -44.22 -43.86 7.48 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.533 2.79 . . . . 0.0 118.533 166.058 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -83.95 -30.42 26.29 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 118.361 -2.712 . . . . 0.0 106.627 -174.317 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -31.32 68.08 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.455 -2.028 . . . . 0.0 109.251 176.237 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -60.43 -37.98 82.62 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 163.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 mt -85.36 -4.52 59.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.479 -1.388 . . . . 0.0 111.382 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.44 -23.22 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 121.187 -0.946 . . . . 0.0 108.455 173.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.33 -57.11 3.51 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.971 -2.331 . . . . 0.0 106.848 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.63 -22.2 57.04 Favored 'General case' 0 N--CA 1.429 -1.475 1 N-CA-C 125.112 5.227 . . . . 0.0 125.112 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.15 54.55 1.43 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 121.253 1.842 . . . . 0.0 107.703 -170.085 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -44.87 -68.59 0.19 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.484 2.313 . . . . 0.0 116.49 -166.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.58 -53.5 11.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.515 1.526 . . . . 0.0 109.702 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.82 -68.22 0.8 Allowed Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 127.174 2.321 . . . . 0.0 115.344 178.079 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.346 1.1 t80 -64.39 -53.8 42.79 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.21 -178.044 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -38.33 -44.33 0.89 Allowed 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.48 3.53 Favored Glycine 0 N--CA 1.429 -1.773 0 CA-C-O 122.367 0.982 . . . . 0.0 113.214 174.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.66 -19.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.181 -2.364 . . . . 0.0 113.912 -174.371 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -83.19 -19.6 36.23 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.242 2.217 . . . . 0.0 115.617 174.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.94 -33.44 73.73 Favored 'General case' 0 N--CA 1.429 -1.481 1 C-N-CA 108.617 -5.233 . . . . 0.0 116.614 154.217 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.43 -56.44 7.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 125.757 1.911 . . . . 0.0 107.589 -171.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . 0.324 82.7 mt -67.58 -23.35 65.38 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 117.064 -3.522 . . . . 0.0 115.239 177.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.98 -49.86 14.5 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 116.98 -1.888 . . . . 0.0 110.407 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.28 4.8 ptp -54.68 -19.64 6.59 Favored 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 124.236 4.902 . . . . 0.0 124.236 165.492 . . . . . . . . 3 2 . 1 . 022 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 16.1 m-85 -95.79 0.07 51.89 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 120.276 -1.515 . . . . 0.0 110.021 -176.627 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.335 5.0 t . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 123.269 1.509 . . . . 0.0 112.164 174.348 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.43 -1.435 0 CA-C-O 120.892 0.377 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -48.75 -47.37 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 C-N-CA 126.307 1.843 . . . . 0.0 115.961 170.027 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.34 -54.56 44.08 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.716 1.606 . . . . 0.0 112.368 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 83.9 m -67.29 -29.92 69.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.665 -1.272 . . . . 0.0 114.16 175.499 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 t -61.81 -46.02 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.888 -2.382 . . . . 0.0 111.896 171.465 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -51.36 -54.59 24.93 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.373 2.669 . . . . 0.0 112.821 178.417 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -72.03 -19.16 61.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.736 -1.853 . . . . 0.0 115.148 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' CG1' HG11 ' A' ' 42' ' ' VAL . 50.6 mt -80.19 -37.23 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.693 -1.879 . . . . 0.0 110.13 173.085 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mt -52.14 -42.14 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 127.401 2.281 . . . . 0.0 114.96 171.03 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.421 HG21 HG22 ' B' ' 42' ' ' VAL . 2.5 p -68.08 -54.0 21.4 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.815 -1.178 . . . . 0.0 110.026 -179.414 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 t -49.79 -45.98 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.665 1.986 . . . . 0.0 115.886 169.387 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.63 91.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.77 -1.831 . . . . 0.0 111.503 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -20.74 66.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 172.075 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' B' ' 17' ' ' ILE . 2.9 mm -67.66 -46.74 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.187 1.795 . . . . 0.0 110.47 174.692 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 mp -60.64 -34.99 75.1 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.075 0.95 . . . . 0.0 112.032 176.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.3 mt -73.02 -27.0 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.683 -1.261 . . . . 0.0 112.96 176.122 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.184 1.393 . . . . 0.0 111.695 169.686 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -95.99 8.57 43.34 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.95 -1.719 . . . . 0.0 114.825 177.367 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 74.6 9.34 4.26 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -93.38 43.81 1.12 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.541 1.936 . . . . 0.0 113.104 -176.073 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -63.55 -21.25 66.23 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 177.063 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.18 -40.7 7.45 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 168.047 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.73 -42.19 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 126.147 1.779 . . . . 0.0 110.48 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.25 -37.87 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.318 1.047 . . . . 0.0 111.633 175.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -70.33 -20.52 62.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.939 2.496 . . . . 0.0 114.492 -175.172 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -110.43 105.58 14.61 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.13 1.372 . . . . 0.0 107.651 -179.204 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -42.2 -56.07 3.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.688 3.195 . . . . 0.0 114.079 177.223 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.4 -51.43 44.07 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -178.386 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -50.03 -34.31 20.95 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.675 1.59 . . . . 0.0 113.384 170.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.68 -51.6 66.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 170.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 128.834 2.853 . . . . 0.0 114.008 175.33 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.0 86.53 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 125.786 1.634 . . . . 0.0 113.665 169.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 3.7 t80 -69.35 -39.55 78.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.364 1.466 . . . . 0.0 110.72 176.147 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.44 -49.03 73.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.085 1.354 . . . . 0.0 113.146 171.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -71.28 -31.68 67.78 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.711 -1.868 . . . . 0.0 114.512 176.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.72 -56.61 15.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 167.464 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 HD12 ' B' ' 17' ' ' ILE 0.258 0.2 OUTLIER -84.21 -15.91 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 120.66 -1.275 . . . . 0.0 113.534 -175.117 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.11 42.73 4.89 Favored Glycine 0 N--CA 1.431 -1.67 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.9 t -83.87 108.42 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 164.046 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.0 p -119.13 126.95 52.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -169.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -67.59 -71.1 0.22 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.485 -2.01 . . . . 0.0 114.422 -171.834 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.96 41.74 1.3 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.337 -1.477 . . . . 0.0 109.682 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.96 23.35 63.54 Favored Glycine 0 N--CA 1.429 -1.79 0 N-CA-C 117.017 1.567 . . . . 0.0 117.017 -170.088 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -121.76 179.0 4.63 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 119.356 1.578 . . . . 0.0 107.152 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.52 138.35 48.83 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.375 -1.453 . . . . 0.0 111.889 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.67 121.15 40.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.832 1.301 . . . . 0.0 108.871 -167.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.67 168.5 10.63 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.514 1.125 . . . . 0.0 110.782 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -74.47 -40.06 62.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.496 -1.377 . . . . 0.0 111.901 179.047 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -67.93 -52.37 36.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.224 -0.922 . . . . 0.0 111.885 171.061 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.5 m -67.61 -15.09 63.47 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.92 -50.48 49.01 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.749 1.738 . . . . 0.0 110.06 170.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -64.54 -30.42 71.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.758 -1.839 . . . . 0.0 112.497 -176.27 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -65.95 -28.92 69.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 167.116 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.355 22.3 pt -67.21 -53.55 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 119.78 -1.825 . . . . 0.0 112.225 172.559 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.58 -40.48 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -173.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -75.41 -44.59 43.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.536 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -93.21 11.54 27.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 -164.29 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.65 140.95 10.38 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.832 -1.168 . . . . 0.0 113.923 171.011 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.0 p -86.88 178.51 6.95 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.593 1.557 . . . . 0.0 109.285 -176.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.24 -46.89 81.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.524 -1.985 . . . . 0.0 111.144 169.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 2.4 mp0 -46.26 -40.11 11.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.613 2.82 . . . . 0.0 118.613 170.292 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.34 -37.79 71.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.284 -1.51 . . . . 0.0 113.302 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.77 -28.15 30.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.88 -1.138 . . . . 0.0 111.616 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -44.75 95.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.007 2.123 . . . . 0.0 109.536 171.374 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.8 m -56.55 -39.49 73.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.796 1.238 . . . . 0.0 114.316 172.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.1 -37.87 64.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.018 -1.676 . . . . 0.0 113.784 174.409 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.44 -38.42 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.472 1.909 . . . . 0.0 113.518 174.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.2 -48.17 82.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.286 -1.509 . . . . 0.0 115.055 172.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -94.99 -20.12 19.63 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -166.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -134.05 64.42 1.6 Allowed 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.398 -2.064 . . . . 0.0 107.109 -170.005 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -55.27 -71.89 0.08 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.603 1.561 . . . . 0.0 114.868 -163.047 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.09 -42.63 75.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 112.993 176.238 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -66.48 -43.86 91.46 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 124.773 1.177 . . . . 0.0 114.341 -168.279 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.36 0.1 OUTLIER -76.32 -43.52 40.89 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.818 177.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -49.0 -47.91 43.92 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.223 2.283 . . . . 0.0 115.854 -178.013 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.56 -59.66 6.99 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 114.386 0.515 . . . . 0.0 114.386 174.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.6 m -66.77 -26.91 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.888 -1.948 . . . . 0.0 113.438 -172.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -68.11 -42.53 80.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.453 -1.404 . . . . 0.0 113.695 177.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -46.86 -45.24 20.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.194 1.816 . . . . 0.0 115.423 166.739 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.18 -54.63 30.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.514 1.526 . . . . 0.0 107.945 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.83 -30.86 64.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 174.011 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -71.37 -65.6 0.73 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.267 1.394 . . . . 0.0 111.634 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.9 ptp -54.58 -28.3 45.1 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -175.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 15.7 m-85 -80.9 -4.72 55.85 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.333 1.053 . . . . 0.0 113.068 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 CA-C-O 122.605 1.193 . . . . 0.0 109.234 173.374 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -61.29 -41.44 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 127.351 2.26 . . . . 0.0 112.09 -176.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.13 -31.07 69.5 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 123.968 0.907 . . . . 0.0 111.764 -177.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -38.89 92.0 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.379 -1.45 . . . . 0.0 112.827 169.365 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.2 -35.62 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 120.307 -1.496 . . . . 0.0 109.401 179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -45.75 62.75 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.995 2.918 . . . . 0.0 114.586 -171.738 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -64.09 -37.28 86.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.671 -1.268 . . . . 0.0 113.875 168.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mt -76.8 -24.54 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.269 -2.77 . . . . 0.0 114.119 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.89 -49.63 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.18 -2.2 . . . . 0.0 112.019 173.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.6 p -67.18 -33.26 75.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.182 1.793 . . . . 0.0 113.265 178.356 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 17' ' ' ILE . 7.2 t -63.34 -47.54 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 124.822 1.249 . . . . 0.0 113.934 167.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.35 -33.05 49.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.838 -2.414 . . . . 0.0 113.931 -176.391 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.55 ' HB3' HG11 ' B' ' 80' ' ' VAL . 89.9 p -66.76 -22.54 66.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.92 -1.737 . . . . 0.0 114.428 168.238 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.47 -50.54 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-N 120.058 1.299 . . . . 0.0 113.301 156.402 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.405 ' CD1' HG22 ' B' ' 17' ' ' ILE . 2.4 mp -59.42 -42.25 91.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.313 -1.492 . . . . 0.0 112.871 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.401 HD12 HG12 ' B' ' 80' ' ' VAL . 22.5 mt -66.03 -36.34 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.444 -1.41 . . . . 0.0 113.999 171.551 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -54.45 -44.52 72.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.949 -1.72 . . . . 0.0 112.825 169.606 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 21' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' B' ' 17' ' ' ILE . 22.8 m-85 -85.77 11.56 10.84 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.625 1.57 . . . . 0.0 114.272 176.355 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 54.16 41.22 32.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.161 2.584 . . . . 0.0 115.778 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -111.21 52.78 0.73 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.418 1.487 . . . . 0.0 110.481 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER -75.42 -13.16 60.37 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.24 -25.38 67.03 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.592 -1.317 . . . . 0.0 113.604 166.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.9 -50.34 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.861 -1.775 . . . . 0.0 110.08 169.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.51 -37.6 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.434 1.493 . . . . 0.0 114.166 -174.288 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.9 tt0 -53.43 -23.73 10.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 173.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.24 109.61 19.39 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.985 -1.697 . . . . 0.0 110.568 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -36.81 -61.45 0.54 Allowed 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 129.473 3.109 . . . . 0.0 113.939 169.669 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.83 91.44 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.776 -1.827 . . . . 0.0 115.632 -177.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -61.17 -31.6 71.34 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 119.923 1.238 . . . . 0.0 113.156 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.52 -52.01 55.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.666 1.586 . . . . 0.0 112.675 174.643 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.8 -38.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.767 3.227 . . . . 0.0 114.18 170.5 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.75 72.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.458 1.123 . . . . 0.0 108.566 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.333 1.7 t80 -60.85 -33.03 72.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 171.079 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.75 -33.8 76.47 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.164 -2.835 . . . . 0.0 114.327 172.361 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -72.5 -27.37 62.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.516 -1.365 . . . . 0.0 113.08 171.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.2 -58.09 4.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.823 1.249 . . . . 0.0 113.299 176.205 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.483 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -83.27 -19.13 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.889 -1.757 . . . . 0.0 111.927 -171.71 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 32.47 7.06 Favored Glycine 0 N--CA 1.429 -1.795 0 O-C-N 120.56 -1.337 . . . . 0.0 115.36 172.273 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 HD11 ' B' ' 40' ' ' ILE . 60.6 t -70.88 101.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.163 1.459 . . . . 0.0 110.072 166.286 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -115.39 120.61 40.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.356 1.862 . . . . 0.0 108.353 -173.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -66.32 -78.47 0.05 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -172.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -95.15 39.1 1.12 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.471 -2.018 . . . . 0.0 110.284 175.298 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 17.05 78.48 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.399 -1.438 . . . . 0.0 114.659 -168.055 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -119.68 156.61 30.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.644 -1.504 . . . . 0.0 109.697 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -62.38 131.65 49.97 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.68 1.592 . . . . 0.0 113.129 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 120.61 24.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.578 1.656 . . . . 0.0 112.815 -175.232 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -94.5 163.65 13.31 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.067 1.747 . . . . 0.0 112.137 -176.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.59 -34.37 69.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -77.28 -33.88 55.71 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.398 -1.439 . . . . 0.0 111.601 175.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.0 m -74.21 -30.96 62.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.979 1.312 . . . . 0.0 112.922 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -58.35 -48.87 79.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 123.793 1.759 . . . . 0.0 112.417 168.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 -66.37 -33.64 76.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.656 -1.277 . . . . 0.0 112.904 -177.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -65.7 -49.33 68.93 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.243 -1.535 . . . . 0.0 113.974 168.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 33.6 pt -53.34 -45.18 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 120.326 1.421 . . . . 0.0 114.444 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.6 -42.85 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -87.59 -43.91 11.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -174.346 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.04 7.83 4.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.476 1.943 . . . . 0.0 115.25 -169.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.54 144.61 30.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.056 1.342 . . . . 0.0 113.01 176.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.1 p -86.18 170.1 12.46 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.3 -39.11 85.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.203 -1.561 . . . . 0.0 112.591 172.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.07 -39.18 88.89 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 173.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.35 -44.4 96.58 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.262 -1.524 . . . . 0.0 112.541 174.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -76.01 -39.93 54.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.774 1.229 . . . . 0.0 111.02 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.13 67.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 113.174 163.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 74.8 m -64.91 -40.17 94.67 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.465 -0.772 . . . . 0.0 111.737 -178.663 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.3 -48.72 72.15 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.977 -1.077 . . . . 0.0 113.42 172.124 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.22 -48.15 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.151 1.78 . . . . 0.0 114.129 171.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.87 -34.25 76.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -100.61 -41.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -175.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -102.3 56.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 119.466 -2.021 . . . . 0.0 112.058 -171.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -41.03 -72.65 0.06 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -173.057 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.84 -62.61 1.39 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 113.874 -170.124 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -48.98 -55.74 11.18 Favored Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 174.346 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.612 2.206 . . . . 0.0 110.67 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -55.2 -57.73 10.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.088 1.767 . . . . 0.0 111.53 169.684 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.66 -68.75 1.53 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 121.68 -0.637 . . . . 0.0 114.08 175.198 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.55 HG11 ' HB3' ' B' ' 16' ' ' SER . 5.5 m -63.2 -25.08 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 O-C-N 120.082 -1.834 . . . . 0.0 115.883 -171.018 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.74 -20.92 59.63 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 173.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -60.5 -45.76 92.59 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.287 -2.133 . . . . 0.0 112.6 164.345 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.89 -61.8 1.76 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.101 2.16 . . . . 0.0 109.411 -173.409 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.8 mt -52.77 -33.35 48.11 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.224 2.21 . . . . 0.0 115.337 178.608 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.29 -44.6 44.82 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 121.69 -0.631 . . . . 0.0 111.507 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.4 ptp -69.69 -39.07 77.16 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -171.253 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 15.5 m-85 -74.65 -5.52 43.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.507 1.523 . . . . 0.0 113.604 -176.421 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.429 -1.487 0 O-C-N 120.312 -1.492 . . . . 0.0 111.064 175.428 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.531 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 3.0 ptmm? -124.29 -144.49 0.33 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 119.562 -1.961 . . . . 0.0 105.797 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -86.31 -40.06 15.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.665 -1.897 . . . . 0.0 111.94 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 11.9 tt -61.56 -47.41 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 124.719 1.208 . . . . 0.0 114.029 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 13.6 m-20 -40.98 -39.86 1.27 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.5 2.72 . . . . 0.0 116.223 174.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.7 m -86.14 -45.57 11.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.065 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 t -56.16 -39.9 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.369 -2.082 . . . . 0.0 113.926 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -49.53 -60.23 3.04 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 129.469 3.107 . . . . 0.0 112.796 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 10' ' ' GLU . 10.4 pt-20 -72.5 -12.6 61.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 118.186 2.662 . . . . 0.0 118.186 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.2 mt -90.63 -15.28 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.664 -1.897 . . . . 0.0 110.234 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.21 -52.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.033 -2.917 . . . . 0.0 109.215 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -57.14 -56.96 14.96 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.04 1.336 . . . . 0.0 111.375 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 9.2 t -46.1 -53.09 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 128.609 2.764 . . . . 0.0 113.053 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.95 -13.47 59.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 112.7 -3.6 . . . . 0.0 112.964 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 p -78.07 -17.33 57.13 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 119.024 -0.512 . . . . 0.0 112.178 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' B' ' 17' ' ' ILE . 6.6 mm -60.7 -50.97 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 125.897 1.679 . . . . 0.0 110.536 165.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 mp -64.39 -28.52 69.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.47 1.108 . . . . 0.0 112.504 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.397 54.7 mt -74.6 -44.07 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 121.186 -0.946 . . . . 0.0 112.671 170.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -40.07 59.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 126.772 2.029 . . . . 0.0 114.812 168.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -88.5 -2.49 58.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.31 -1.494 . . . . 0.0 114.314 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.262 0.9 OUTLIER 64.83 50.55 1.97 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.069 2.548 . . . . 0.0 115.038 176.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -124.81 44.85 2.67 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 130.882 3.673 . . . . 0.0 110.294 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.381 0.0 OUTLIER -53.07 -28.11 23.35 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -43.84 -39.22 3.73 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 119.518 3.155 . . . . 0.0 119.518 168.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.61 -37.97 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.258 -2.151 . . . . 0.0 113.078 173.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 t -70.07 -27.2 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 125.991 1.717 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -73.13 -4.17 31.04 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.936 2.494 . . . . 0.0 115.169 -169.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.26 130.07 24.53 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 117.134 -3.478 . . . . 0.0 110.323 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -59.41 -43.24 93.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -70.3 -51.57 29.33 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 118.29 -2.756 . . . . 0.0 115.528 -175.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -44.2 -36.16 2.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.31 -42.81 53.7 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.304 1.842 . . . . 0.0 113.034 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.8 mt -55.51 -43.34 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 128.062 2.545 . . . . 0.0 112.807 170.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.84 67.75 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.355 -1.466 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 26.5 t80 -46.2 -44.6 16.25 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.209 2.204 . . . . 0.0 113.704 166.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.57 -52.46 64.73 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.034 -1.666 . . . . 0.0 114.517 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.63 -37.53 87.69 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.17 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.61 -49.48 77.58 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.776 2.03 . . . . 0.0 115.889 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.282 0.1 OUTLIER -87.16 -11.75 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 120.623 1.556 . . . . 0.0 111.757 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 33.0 6.58 Favored Glycine 0 N--CA 1.43 -1.706 0 N-CA-C 117.964 1.946 . . . . 0.0 117.964 171.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 HG21 ' B' ' 13' ' ' THR . 23.5 t -80.04 120.47 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 120.54 2.17 . . . . 0.0 111.422 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.3 p -100.74 158.49 15.92 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.403 1.081 . . . . 0.0 111.065 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 5.9 t60 -82.81 -101.13 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.945 -1.722 . . . . 0.0 113.41 162.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 87.4 mt-10 -89.89 53.57 2.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.683 -1.886 . . . . 0.0 108.105 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.06 0.34 55.91 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 117.553 1.781 . . . . 0.0 117.553 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -111.99 168.44 9.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.544 1.164 . . . . 0.0 111.082 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -70.14 153.78 42.72 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.476 -1.39 . . . . 0.0 109.898 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.95 113.75 27.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.953 1.359 . . . . 0.0 113.956 -163.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -90.1 157.75 17.62 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.504 -168.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.25 -46.29 87.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -70.75 -43.06 69.6 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.026 -1.671 . . . . 0.0 114.449 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -73.2 -19.26 61.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.334 -1.479 . . . . 0.0 113.337 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.89 -53.13 60.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.653 1.581 . . . . 0.0 112.225 163.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -64.19 -37.1 86.26 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.457 -1.402 . . . . 0.0 113.34 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -62.63 -34.3 76.76 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.319 43.1 pt -65.3 -49.21 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.093 -1.629 . . . . 0.0 114.189 173.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.18 -40.94 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.0 m -83.25 -55.72 4.18 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.126 1.37 . . . . 0.0 113.948 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.606 4.4 pt-20 -74.79 13.21 0.68 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -170.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.58 157.13 4.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.835 1.654 . . . . 0.0 111.433 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -87.86 173.55 8.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.934 -1.729 . . . . 0.0 108.287 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -63.09 -41.5 99.41 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 118.963 -2.336 . . . . 0.0 112.513 170.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -46.09 -56.55 5.45 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.8 -33.81 37.27 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -81.8 -48.74 11.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.934 1.294 . . . . 0.0 108.815 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -48.97 -39.7 27.58 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.7 m -63.44 -34.94 78.85 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.77 -45.03 65.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.307 -2.12 . . . . 0.0 111.49 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.3 mt -56.47 -39.62 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 126.444 1.898 . . . . 0.0 114.061 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.27 -37.25 77.81 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -94.62 -26.33 16.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.914 -1.742 . . . . 0.0 112.912 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.29 60.01 1.32 Allowed 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 -170.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -54.0 -70.9 0.08 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -165.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -73.78 -31.28 63.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.71 1.204 . . . . 0.0 112.276 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.61 -50.4 25.64 Favored Glycine 0 N--CA 1.431 -1.684 0 O-C-N 120.765 -1.209 . . . . 0.0 112.28 -171.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 0.1 OUTLIER -70.6 -46.11 64.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 115.943 -1.98 . . . . 0.0 110.806 178.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -36.54 -61.22 0.54 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 122.558 2.436 . . . . 0.0 116.484 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.11 9.27 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 121.678 -0.639 . . . . 0.0 113.855 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 76' ' ' GLY . 11.2 m -71.78 -19.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 118.868 -2.548 . . . . 0.0 114.377 -169.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -81.22 -18.46 46.02 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 124.972 1.309 . . . . 0.0 112.321 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -66.45 -38.8 88.16 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 115.65 -2.42 . . . . 0.0 111.477 163.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.94 -58.97 3.23 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.409 1.884 . . . . 0.0 107.113 -173.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.79 -36.29 64.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.714 -1.866 . . . . 0.0 115.331 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.33 -65.03 0.75 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 119.519 1.054 . . . . 0.0 111.021 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.272 6.2 ptp -47.87 -33.79 7.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -82.01 -4.41 56.68 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.486 -1.384 . . . . 0.0 111.325 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.294 0.0 OUTLIER -129.14 40.96 3.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.452 1.596 . . . . 0.0 107.853 171.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.27 97.16 11.04 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.782 -1.823 . . . . 0.0 106.612 158.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.43 -1.429 0 C-N-CA 124.297 1.039 . . . . 0.0 110.801 -171.775 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 . . . . . 0 N--CA 1.43 -1.473 0 CA-C-O 120.862 0.363 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -172.0 3.02 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 178.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 8' ' ' VAL . 74.0 m-80 -69.38 -38.76 78.17 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.775 -1.828 . . . . 0.0 112.858 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.88 -49.21 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 126.908 2.083 . . . . 0.0 114.672 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.04 -37.24 14.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.712 2.405 . . . . 0.0 114.161 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -54.66 7.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.91 1.284 . . . . 0.0 109.005 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 4' ' ' ASN . 1.4 t -57.54 -33.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.594 1.558 . . . . 0.0 112.174 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -55.85 -66.85 0.35 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.989 2.916 . . . . 0.0 112.084 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 10' ' ' GLU . 8.4 pt-20 -66.95 -25.14 66.19 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 mt -72.07 -36.57 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 120.639 -1.288 . . . . 0.0 112.904 174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.6 mt -48.09 -53.69 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 128.112 2.565 . . . . 0.0 114.387 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 42' ' ' VAL . 7.3 p -67.53 -48.45 66.98 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.672 1.124 . . . . 0.0 111.521 -173.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 17' ' ' ILE . 51.8 t -47.29 -33.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.525 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.68 -11.7 47.58 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 117.842 -3.036 . . . . 0.0 111.979 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 94.3 p -84.08 -26.86 28.67 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.118 -0.989 . . . . 0.0 109.794 172.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' A' ' 17' ' ' ILE . 6.8 mm -51.67 -48.7 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-N 120.457 1.481 . . . . 0.0 113.461 159.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.29 -41.14 98.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.5 mt -78.78 -20.42 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.483 -2.636 . . . . 0.0 116.044 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.94 80.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.156 -2.215 . . . . 0.0 111.649 166.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -84.14 3.24 35.84 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 61.82 39.66 13.64 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.665 1.986 . . . . 0.0 115.051 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -111.84 52.84 0.74 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.927 1.346 . . . . 0.0 111.688 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.333 0.0 OUTLIER -67.18 -6.8 19.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.111 2.634 . . . . 0.0 118.111 176.665 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -57.88 -35.61 71.23 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.603 1.961 . . . . 0.0 114.0 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.4 -38.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 125.841 1.657 . . . . 0.0 110.764 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.47 -34.8 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 111.461 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -56.65 -12.83 2.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 130.13 3.372 . . . . 0.0 117.864 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -141.3 139.22 33.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.015 -2.303 . . . . 0.0 108.478 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -55.55 -40.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.82 1.648 . . . . 0.0 114.147 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.08 -56.43 11.57 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.955 -2.341 . . . . 0.0 115.104 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -45.92 -35.42 4.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -72.44 -45.63 58.71 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 126.067 1.747 . . . . 0.0 111.987 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.88 -40.04 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 128.954 2.902 . . . . 0.0 113.829 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -53.11 61.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.724 -1.235 . . . . 0.0 111.332 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -54.79 -33.78 61.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 168.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.973 -2.33 . . . . 0.0 112.331 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.29 -31.17 71.3 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.117 -1.614 . . . . 0.0 113.789 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.37 -67.58 0.31 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.507 -1.371 . . . . 0.0 113.603 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.452 HG21 HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -80.37 -12.48 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 121.639 0.733 . . . . 0.0 112.543 -167.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.98 40.52 6.17 Favored Glycine 0 N--CA 1.43 -1.725 0 CA-C-O 117.982 -1.455 . . . . 0.0 115.592 169.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.26 109.98 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 121.831 2.815 . . . . 0.0 109.218 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.26 127.78 53.49 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -74.24 -92.57 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -92.81 51.97 1.78 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 118.751 -2.468 . . . . 0.0 108.161 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.71 15.33 68.67 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 125.053 1.311 . . . . 0.0 114.378 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -127.97 161.34 29.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.67 1.188 . . . . 0.0 109.231 -172.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.72 140.97 58.93 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.534 1.159 . . . . 0.0 112.539 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 124.69 35.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-O 122.484 1.135 . . . . 0.0 111.147 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -101.45 170.57 8.12 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 125.655 1.582 . . . . 0.0 110.852 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -42.9 75.85 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.558 -1.339 . . . . 0.0 114.179 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -72.46 -39.0 68.1 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.25 -1.531 . . . . 0.0 114.107 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.6 m -70.55 -23.56 62.64 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.027 1.331 . . . . 0.0 113.137 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -65.35 -45.4 84.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.562 1.649 . . . . 0.0 111.967 168.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -70.27 -33.16 71.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.692 -1.88 . . . . 0.0 112.918 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.264 2.4 ptmm? -56.27 -47.8 77.87 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 165.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.277 26.5 pt -58.45 -44.38 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 124.677 1.191 . . . . 0.0 112.678 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -76.46 -44.13 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -74.26 -54.37 7.85 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -78.55 -0.23 28.83 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -162.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.6 mt -41.01 142.22 0.52 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.898 2.079 . . . . 0.0 114.717 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -86.02 171.72 11.19 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.026 -1.671 . . . . 0.0 108.129 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -67.85 -37.93 82.5 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.697 -1.877 . . . . 0.0 111.848 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -58.5 -40.93 84.16 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.625 2.37 . . . . 0.0 115.428 168.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -65.32 -36.54 84.36 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.564 -1.96 . . . . 0.0 112.762 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -75.3 -46.14 35.29 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.777 1.231 . . . . 0.0 110.224 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -52.58 -37.88 58.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 126.598 1.959 . . . . 0.0 113.988 166.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -58.26 -44.84 88.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.751 -1.218 . . . . 0.0 113.174 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.8 75.98 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.835 -1.79 . . . . 0.0 112.457 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.18 -46.98 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.394 1.478 . . . . 0.0 114.017 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -70.84 -37.22 73.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.57 -35.69 15.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.221 -1.549 . . . . 0.0 112.945 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.55 68.14 0.73 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.66 -1.9 . . . . 0.0 107.193 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -57.89 -71.56 0.1 Allowed 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.02 1.328 . . . . 0.0 114.504 -170.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -58.69 -51.15 71.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.22 -52.51 43.51 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 124.339 0.971 . . . . 0.0 115.43 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' B' ' 81' ' ' TYR . 4.2 t80 -72.7 -20.87 61.15 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 119.653 1.726 . . . . 0.0 110.522 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -56.08 -60.31 3.66 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.399 -2.063 . . . . 0.0 112.223 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.57 1.0 Allowed Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -32.16 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.686 -2.067 . . . . 0.0 114.567 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' B' ' 77' ' ' PHE . 59.4 t80 -77.7 -13.09 60.0 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.024 1.738 . . . . 0.0 114.385 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -62.77 -47.74 82.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.589 -2.569 . . . . 0.0 112.534 159.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -64.79 -60.52 2.99 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.037 1.735 . . . . 0.0 109.248 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.0 mt -49.08 -37.32 20.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.801 2.44 . . . . 0.0 115.484 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.33 -37.03 38.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 121.91 -0.494 . . . . 0.0 111.393 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.6 ptp -76.42 -29.75 57.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.244 -1.535 . . . . 0.0 112.402 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.45 -5.63 58.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.929 -1.107 . . . . 0.0 112.031 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.341 1.7 t -135.27 51.39 2.08 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.596 1.665 . . . . 0.0 108.778 172.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -96.05 101.05 12.67 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 154.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 N--CA 1.429 -1.485 0 C-N-CA 124.36 1.064 . . . . 0.0 111.371 -170.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 N--CA 1.429 -1.501 0 CA-C-O 122.317 1.056 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.587 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -121.58 -160.03 0.84 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.077 1.351 . . . . 0.0 107.478 175.157 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -68.21 -48.49 65.06 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.709 -1.869 . . . . 0.0 113.263 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.51 -27.16 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 128.183 2.593 . . . . 0.0 115.335 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.37 -40.34 96.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 124.111 1.91 . . . . 0.0 109.397 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 m -77.48 -42.23 36.53 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.285 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.78 -42.85 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 O-C-N 119.366 -2.084 . . . . 0.0 113.595 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.74 -51.84 67.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 129.147 2.979 . . . . 0.0 112.118 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 120.074 -1.641 . . . . 0.0 112.574 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mt -69.55 -35.44 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.111 -2.243 . . . . 0.0 112.205 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG23 HG21 ' A' ' 80' ' ' VAL . 26.8 mt -50.7 -44.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.202 2.601 . . . . 0.0 115.906 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.47 HG21 HG22 ' B' ' 42' ' ' VAL . 5.0 p -66.32 -47.24 74.18 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.605 -1.31 . . . . 0.0 110.633 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -52.37 -49.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.195 2.998 . . . . 0.0 114.2 171.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -30.61 69.59 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.287 -2.133 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -76.88 -11.55 59.84 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.121 -2.862 . . . . 0.0 115.001 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 HG21 ' B' ' 17' ' ' ILE . 10.2 mm -65.71 -49.11 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 124.923 1.289 . . . . 0.0 107.887 166.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 4.8 mt -61.01 -33.64 73.58 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.717 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.7 mt -80.75 -25.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 111.92 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -60.5 -43.78 96.67 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.711 -1.868 . . . . 0.0 112.169 169.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -89.21 -5.92 57.29 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.855 1.662 . . . . 0.0 112.124 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t 59.33 49.49 8.84 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 117.63 2.455 . . . . 0.0 117.63 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -108.4 46.48 0.96 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 128.804 2.842 . . . . 0.0 112.069 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.339 0.0 OUTLIER -64.56 -17.05 63.59 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 -176.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.82 -39.02 11.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 164.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.13 -42.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.931 -1.731 . . . . 0.0 112.798 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -67.55 -33.97 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.401 1.88 . . . . 0.0 113.808 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.272 6.6 pt-20 -59.36 -20.62 56.2 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -168.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -133.42 140.35 47.27 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.337 -2.102 . . . . 0.0 114.124 167.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.253 0.7 OUTLIER -38.26 -52.9 1.49 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 128.628 2.771 . . . . 0.0 114.597 175.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 -22.58 45.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.777 -2.452 . . . . 0.0 115.787 -171.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -73.87 -38.56 64.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.24 -1.537 . . . . 0.0 107.814 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.17 -62.74 1.55 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.814 2.446 . . . . 0.0 115.397 168.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.286 7.6 mt -40.72 -44.64 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 166.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.12 91.13 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 117.959 -2.963 . . . . 0.0 113.078 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.0 t80 -55.4 -47.22 76.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.994 2.917 . . . . 0.0 111.835 167.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.54 -44.71 62.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.913 1.688 . . . . 0.0 114.803 173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -66.96 -28.65 68.45 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.719 -1.238 . . . . 0.0 113.536 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -72.61 -54.75 8.25 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.487 -1.383 . . . . 0.0 112.304 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.78 -21.07 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.06 45.9 3.22 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 124.501 1.048 . . . . 0.0 115.197 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.67 118.42 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 120.353 -1.675 . . . . 0.0 109.795 170.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -112.51 149.71 32.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.572 1.149 . . . . 0.0 108.218 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 10.6 t60 -76.91 -95.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.947 -1.096 . . . . 0.0 111.625 174.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.38 14.87 1.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.785 -1.822 . . . . 0.0 114.892 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.42 4.23 62.58 Favored Glycine 0 N--CA 1.429 -1.772 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -164.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -96.43 138.74 33.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 100.222 -3.992 . . . . 0.0 100.222 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.36 143.56 36.76 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 128.44 36.32 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.881 1.324 . . . . 0.0 111.986 -151.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -98.66 154.57 17.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.733 1.213 . . . . 0.0 109.754 -172.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.94 -33.71 76.45 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.118 -1.614 . . . . 0.0 114.554 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -70.11 -57.15 5.28 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.12 1.368 . . . . 0.0 113.017 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.1 m -70.4 -10.62 59.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 118.784 -2.447 . . . . 0.0 116.558 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.3 -57.68 10.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.012 1.325 . . . . 0.0 111.561 161.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -65.76 -25.42 67.27 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 121.061 -1.024 . . . . 0.0 112.675 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.306 35.7 pttt -63.46 -48.69 76.65 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 164.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.28 26.3 pt -59.66 -44.34 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 119.609 -1.932 . . . . 0.0 114.009 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.9 -38.83 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -92.05 -26.68 18.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 118.07 2.618 . . . . 0.0 118.07 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -83.04 1.05 42.02 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 124.922 3.51 . . . . 0.0 114.88 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -48.51 141.46 6.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.729 1.612 . . . . 0.0 114.86 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.3 p -81.28 169.08 17.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.315 -0.866 . . . . 0.0 109.187 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.28 -33.94 73.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.182 -2.199 . . . . 0.0 110.647 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -34.86 76.61 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 125.337 1.455 . . . . 0.0 114.674 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -65.14 -39.33 92.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.367 1.556 . . . . 0.0 113.198 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -74.02 -46.55 42.77 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.858 1.263 . . . . 0.0 110.867 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -39.01 65.16 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.864 1.666 . . . . 0.0 113.618 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 m -62.09 -39.86 93.89 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.581 -1.949 . . . . 0.0 114.281 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.5 -40.26 89.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.18 -37.41 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.867 1.267 . . . . 0.0 112.379 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.18 -38.19 72.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -82.77 -40.37 20.57 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 120.182 1.355 . . . . 0.0 113.202 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.267 52.8 m-85 -125.42 66.77 1.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.93 2.492 . . . . 0.0 111.345 -167.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.92 -63.82 1.17 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.429 1.492 . . . . 0.0 114.578 -163.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -71.87 -38.86 69.96 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.848 1.659 . . . . 0.0 111.696 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.01 9.06 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 126.661 2.077 . . . . 0.0 113.459 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.312 1.1 t80 -72.76 -32.67 65.81 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.563 -0.963 . . . . 0.0 111.263 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -48.25 -57.34 6.09 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.697 -2.502 . . . . 0.0 114.602 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.03 -64.42 3.53 Favored Glycine 0 N--CA 1.43 -1.702 0 O-C-N 120.554 -1.341 . . . . 0.0 113.746 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG21 HG23 ' A' ' 12' ' ' ILE . 9.8 m -70.71 -20.13 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.562 -2.728 . . . . 0.0 113.92 -166.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -87.28 -11.05 50.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.331 -1.481 . . . . 0.0 112.469 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.45 -40.06 95.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.662 -2.524 . . . . 0.0 111.164 159.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -69.29 -53.38 20.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.046 2.138 . . . . 0.0 108.138 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.65 -51.92 67.89 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.43 -1.419 . . . . 0.0 111.827 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -56.01 -36.59 68.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.0 ptp -82.67 -21.98 34.76 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 121.169 -0.957 . . . . 0.0 112.529 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-30 -90.58 4.78 50.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.505 -1.372 . . . . 0.0 111.661 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 t -146.11 69.95 1.22 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.975 1.369 . . . . 0.0 108.77 171.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -112.01 130.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? . . . . . 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 109.759 -165.237 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.529 ' HG3' HG22 ' B' ' 5' ' ' ILE . 10.4 pttm -118.43 -175.29 2.84 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.613 -1.304 . . . . 0.0 108.51 175.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.66 -47.58 84.71 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 119.602 -1.936 . . . . 0.0 114.698 -172.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.529 HG22 ' HG3' ' B' ' 3' ' ' LYS . 8.4 tt -62.55 -38.49 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 113.034 -1.893 . . . . 0.0 114.491 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.84 -47.21 77.67 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 128.183 2.593 . . . . 0.0 113.776 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.43 HG22 HD11 ' B' ' 11' ' ' ILE . 10.0 m -75.14 -41.83 57.45 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.614 1.166 . . . . 0.0 109.959 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 36.9 t -53.38 -40.06 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 119.934 -1.729 . . . . 0.0 114.083 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -54.81 -56.87 14.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 128.851 2.86 . . . . 0.0 113.229 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -50.06 -47.68 53.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.285 1.834 . . . . 0.0 115.177 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.43 HD11 HG22 ' B' ' 7' ' ' THR . 4.8 mt -79.86 -27.85 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 120.017 -1.677 . . . . 0.0 113.678 -173.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -48.19 -56.93 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 127.112 2.165 . . . . 0.0 113.171 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -69.9 -38.39 76.3 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.669 -1.269 . . . . 0.0 113.178 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 17' ' ' ILE . 6.9 t -51.36 -46.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 165.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.23 63.33 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 117.519 -3.238 . . . . 0.0 113.788 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 p -72.03 -18.75 61.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.159 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.649 HD11 HG13 ' A' ' 14' ' ' VAL . 9.7 mm -58.73 -55.22 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 124.827 1.251 . . . . 0.0 111.201 162.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 2.7 mp -61.15 -39.29 89.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.871 -1.143 . . . . 0.0 111.053 -175.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.54 -33.67 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.023 1.729 . . . . 0.0 110.961 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.15 79.72 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 120.687 1.585 . . . . 0.0 112.284 168.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -86.67 10.19 16.43 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.38 28.66 16.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.65 49.18 1.11 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.031 2.132 . . . . 0.0 110.608 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.318 0.0 OUTLIER -61.41 -16.72 49.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 168.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -51.17 -31.44 20.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.24 -47.69 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.694 1.198 . . . . 0.0 111.224 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.72 -39.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.431 2.692 . . . . 0.0 112.032 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 28.1 tt0 -50.42 -14.14 0.16 Allowed 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 130.419 3.487 . . . . 0.0 119.83 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -144.22 131.28 20.52 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.818 -2.426 . . . . 0.0 110.57 167.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -31.04 -49.57 0.13 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.882 2.873 . . . . 0.0 114.939 164.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.73 42.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.252 -2.155 . . . . 0.0 111.739 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -66.17 -41.67 90.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.155 -2.216 . . . . 0.0 111.959 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.69 -50.5 72.97 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.057 1.743 . . . . 0.0 113.761 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -51.95 -48.39 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.29 2.236 . . . . 0.0 113.345 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.31 95.53 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 114.157 -3.017 . . . . 0.0 115.635 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.467 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 16.6 t80 -56.61 -38.96 72.77 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.075 1.75 . . . . 0.0 113.06 169.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.9 -41.83 75.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.597 -2.564 . . . . 0.0 113.055 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -72.15 -20.32 61.63 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.853 1.261 . . . . 0.0 111.095 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.353 18.0 mt-10 -71.6 -54.91 8.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 119.192 -1.003 . . . . 0.0 113.053 171.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.98 -17.03 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.024 -1.673 . . . . 0.0 110.306 -166.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 36.82 12.61 Favored Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 115.816 1.087 . . . . 0.0 115.816 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.47 HG22 HG21 ' A' ' 13' ' ' THR . 64.0 t -79.23 118.1 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 CA-C-N 118.773 1.287 . . . . 0.0 110.413 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -116.87 147.22 42.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.102 0.961 . . . . 0.0 109.2 -174.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.442 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.261 47.0 t60 -75.63 -90.05 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 173.016 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -93.94 50.89 1.46 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.264 -2.148 . . . . 0.0 111.765 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.7 1.15 44.56 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 125.363 1.459 . . . . 0.0 115.42 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -93.91 138.87 31.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.771 1.628 . . . . 0.0 110.404 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -62.21 121.1 12.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.494 1.118 . . . . 0.0 108.204 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.33 130.74 36.54 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 122.632 1.206 . . . . 0.0 110.602 -146.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -94.79 154.97 17.02 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.364 -0.835 . . . . 0.0 111.486 -170.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.22 -39.84 74.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -74.15 -37.98 63.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.118 -1.614 . . . . 0.0 113.774 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.5 m -81.34 -15.14 56.24 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.048 -1.657 . . . . 0.0 113.124 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.15 -50.65 67.34 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.677 1.591 . . . . 0.0 111.406 162.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -69.38 -23.34 63.72 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.961 -1.712 . . . . 0.0 112.322 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.257 8.8 ptmt -61.48 -55.6 29.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 161.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 26.5 pt -54.85 -41.95 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.88 -41.13 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 N-CA-C 114.428 1.269 . . . . 0.0 114.428 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -85.3 -47.92 9.57 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.401 4.7 pt-20 -78.2 15.49 0.93 Allowed 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 120.905 1.684 . . . . 0.0 114.989 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.67 133.34 56.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.077 0.941 . . . . 0.0 111.375 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -75.29 170.05 16.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.552 -1.343 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -69.35 -37.32 77.59 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 120.265 -1.522 . . . . 0.0 112.131 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.38 -28.51 67.99 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 170.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -65.0 -39.02 92.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.673 -1.892 . . . . 0.0 111.811 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -77.75 -41.03 39.0 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.664 -1.897 . . . . 0.0 110.042 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.68 63.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.504 1.522 . . . . 0.0 112.826 166.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -59.54 -42.51 92.5 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.233 -0.917 . . . . 0.0 113.439 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.04 -37.22 78.48 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.255 -1.528 . . . . 0.0 112.36 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.4 -41.41 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.295 -1.503 . . . . 0.0 112.593 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -68.03 -37.43 81.35 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.337 -1.477 . . . . 0.0 114.428 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -87.1 -28.06 22.75 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.732 -1.855 . . . . 0.0 115.129 -175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -136.7 66.19 1.49 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 120.354 -1.466 . . . . 0.0 110.776 -169.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -51.04 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.88 -30.88 58.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.702 -1.874 . . . . 0.0 111.382 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.12 -56.37 8.04 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 125.135 1.35 . . . . 0.0 112.227 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.375 0.2 OUTLIER -70.94 -37.27 72.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 117.77 -1.109 . . . . 0.0 109.477 -176.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -46.73 -57.33 4.96 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.54 -53.78 33.21 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 119.89 -1.756 . . . . 0.0 114.681 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.74 -19.86 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.056 -3.026 . . . . 0.0 111.693 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -75.05 -23.13 58.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.354 -1.466 . . . . 0.0 112.972 172.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -64.3 -38.21 90.23 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 125.246 2.451 . . . . 0.0 112.192 169.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.12 -53.4 25.6 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 111.639 -2.528 . . . . 0.0 108.936 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.67 -20.73 63.76 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.854 -2.404 . . . . 0.0 116.882 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.15 -44.95 18.99 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.126 -2.234 . . . . 0.0 110.327 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.48 -26.07 57.89 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.062 -2.274 . . . . 0.0 112.984 -164.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 24.0 m-85 -91.8 4.92 51.73 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.564 -174.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.385 15.4 t -142.52 49.76 1.5 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.437 2.065 . . . . 0.0 111.189 173.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -98.19 115.02 27.46 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 128.108 2.563 . . . . 0.0 113.018 167.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 N--CA 1.43 -1.453 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.01 -163.542 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 N--CA 1.429 -1.484 0 CA-C-O 121.773 0.797 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -113.6 157.9 21.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.191 0.997 . . . . 0.0 109.603 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -69.84 -55.65 9.22 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 121.229 -0.919 . . . . 0.0 112.403 -172.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 tt -42.82 -57.96 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 127.709 2.404 . . . . 0.0 117.09 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -50.52 -40.78 52.49 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.001 1.72 . . . . 0.0 114.384 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -48.96 74.11 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.473 1.509 . . . . 0.0 109.621 172.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.03 -63.24 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 125.491 1.517 . . . . 0.0 110.307 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -32.59 -58.9 0.33 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.862 3.665 . . . . 0.0 120.594 164.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.56 -29.37 65.8 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 113.576 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.403 ' CG1' HG11 ' A' ' 42' ' ' VAL . 87.1 mt -75.56 -34.64 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 120.578 -1.326 . . . . 0.0 111.266 173.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.32 -53.85 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.005 2.122 . . . . 0.0 112.976 168.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -53.96 -46.88 71.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 120.849 1.659 . . . . 0.0 115.405 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.04 -45.23 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 119.958 -1.714 . . . . 0.0 113.318 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.66 87.05 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.667 -1.27 . . . . 0.0 113.254 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -73.06 -13.82 61.28 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -72.18 -40.43 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.982 2.113 . . . . 0.0 110.339 167.31 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.16 -27.14 68.51 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.229 -2.794 . . . . 0.0 112.514 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.347 48.9 mt -79.56 -45.56 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.492 -1.38 . . . . 0.0 111.452 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -36.22 -52.82 0.81 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 161.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.4 -18.21 57.48 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.319 0.9 OUTLIER 72.97 49.07 0.16 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.484 2.313 . . . . 0.0 115.385 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.63 42.99 3.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.906 3.282 . . . . 0.0 113.039 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -60.25 -16.3 32.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -179.105 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -28.4 -49.19 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.537 2.735 . . . . 0.0 117.816 164.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.53 -43.52 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.709 1.604 . . . . 0.0 112.253 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.48 -35.27 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.777 1.631 . . . . 0.0 113.849 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 15.0 tt0 -61.9 -29.74 70.41 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -175.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -110.35 119.21 38.5 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.221 -1.549 . . . . 0.0 108.698 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -42.93 -54.63 4.12 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.971 2.508 . . . . 0.0 113.24 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.13 56.11 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -86.03 -31.55 21.93 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.523 1.154 . . . . 0.0 108.724 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.83 -55.39 35.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.342 1.457 . . . . 0.0 111.629 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 54' ' ' PHE . 63.5 mt -57.67 -40.11 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.018 2.527 . . . . 0.0 114.075 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.1 72.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.512 -1.368 . . . . 0.0 113.521 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -80.58 -33.36 36.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.392 -1.443 . . . . 0.0 109.578 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 14.2 mt -56.72 -49.33 75.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.578 -1.951 . . . . 0.0 112.851 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.06 -22.25 66.72 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.82 -47.44 12.83 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.059 1.3 . . . . 0.0 113.042 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 42' ' ' VAL 0.252 0.2 OUTLIER -83.59 -5.92 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.116 -1.615 . . . . 0.0 113.32 179.88 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 51.08 17.09 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.648 -1.282 . . . . 0.0 115.016 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 HD11 ' A' ' 40' ' ' ILE . 38.3 t -80.44 110.01 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -112.38 123.65 50.76 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.266 14.8 t-160 -64.74 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -101.75 57.0 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.561 -1.962 . . . . 0.0 107.594 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.66 9.93 59.81 Favored Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 116.373 1.309 . . . . 0.0 116.373 -167.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -126.77 163.54 23.33 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.751 2.776 . . . . 0.0 107.597 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -82.39 175.59 10.12 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.796 0.839 . . . . 0.0 112.606 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.21 127.56 55.02 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 123.343 1.544 . . . . 0.0 113.839 -161.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -93.09 159.66 15.2 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 111.164 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -66.72 -32.63 74.05 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.0 -1.687 . . . . 0.0 114.863 173.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -72.22 -48.54 42.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 111.984 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 -36.19 80.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.2 t80 -49.43 -60.7 2.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.293 1.044 . . . . 0.0 112.46 170.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -61.85 -22.45 65.53 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.363 23.9 pttt -59.14 -52.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.953 1.252 . . . . 0.0 114.176 164.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.285 0.0 OUTLIER -61.57 -50.59 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 118.995 -2.315 . . . . 0.0 112.856 -174.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.25 -32.48 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -92.45 -39.11 11.6 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.9 9.49 14.23 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.288 -2.133 . . . . 0.0 114.578 -167.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.11 150.92 5.34 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.653 1.581 . . . . 0.0 113.803 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -88.25 169.43 11.87 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 171.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -67.11 -28.19 67.95 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.764 -2.46 . . . . 0.0 112.08 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.2 -38.68 90.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.304 1.442 . . . . 0.0 113.297 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.15 -36.9 83.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 120.576 -1.327 . . . . 0.0 113.583 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -82.34 -31.06 30.05 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.626 -1.296 . . . . 0.0 111.523 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -37.54 87.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.006 0.923 . . . . 0.0 111.377 166.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -59.71 -43.19 94.25 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 121.213 -0.929 . . . . 0.0 112.276 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.48 -50.9 56.91 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.373 1.069 . . . . 0.0 111.568 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -50.96 -40.95 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 126.211 1.804 . . . . 0.0 113.831 172.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -59.13 -41.79 89.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 126.229 1.812 . . . . 0.0 114.183 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -93.75 -32.44 14.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.784 -1.823 . . . . 0.0 114.755 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -124.56 69.26 1.09 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -168.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -57.39 -70.96 0.11 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.108 1.363 . . . . 0.0 112.373 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.08 -42.14 97.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.663 1.585 . . . . 0.0 112.76 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -60.25 8.34 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 125.885 1.707 . . . . 0.0 114.374 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.274 0.2 OUTLIER -71.32 -44.19 65.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 116.764 -1.589 . . . . 0.0 109.636 -174.098 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -43.61 -54.42 4.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 121.017 1.735 . . . . 0.0 114.798 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.23 -62.76 5.53 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 116.197 1.239 . . . . 0.0 116.197 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.46 -23.71 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 118.927 -2.513 . . . . 0.0 115.468 -172.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -78.3 -17.34 56.74 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.102 1.361 . . . . 0.0 112.734 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -66.11 -43.35 87.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.052 -1.655 . . . . 0.0 111.983 160.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.33 -54.64 25.94 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.588 1.555 . . . . 0.0 108.364 -171.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -49.54 -59.29 3.89 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.235 -1.54 . . . . 0.0 112.097 174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -42.53 50.21 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -174.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.0 ptp -78.95 -26.29 43.58 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 19.2 m-30 -85.58 -6.93 59.11 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 118.779 -2.45 . . . . 0.0 111.604 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.584 0.2 OUTLIER -110.03 11.97 23.77 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.594 1.958 . . . . 0.0 112.314 169.188 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -74.74 109.4 8.18 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.285 -2.759 . . . . 0.0 110.196 166.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? . . . . . 0 N--CA 1.431 -1.416 0 C-N-CA 126.086 1.755 . . . . 0.0 110.99 -169.789 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.49 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 14.3 mptt -112.88 165.11 12.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 122.913 1.34 . . . . 0.0 109.064 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.52 -44.36 24.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.914 -1.741 . . . . 0.0 112.212 -156.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 tt -61.22 -47.08 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 C-N-CA 126.229 1.812 . . . . 0.0 112.837 -168.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -63.19 -33.73 76.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.3 m -70.28 -48.88 54.74 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.026 -1.046 . . . . 0.0 111.078 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.95 -41.59 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 172.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -64.14 -58.44 6.61 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 130.324 3.449 . . . . 0.0 112.053 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.64 -28.69 70.09 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.84 -28.83 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.167 -2.833 . . . . 0.0 113.366 170.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -57.12 -55.75 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 118.725 -2.485 . . . . 0.0 113.317 173.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.1 p -60.84 -36.3 78.78 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.224 1.81 . . . . 0.0 113.4 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.19 -44.98 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.194 1.798 . . . . 0.0 113.04 172.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.83 65.09 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.953 -2.342 . . . . 0.0 111.903 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p -54.82 -40.56 69.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -49.88 -45.0 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 125.262 1.425 . . . . 0.0 113.244 167.189 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.78 -42.55 93.58 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.088 -1.633 . . . . 0.0 114.33 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.31 -38.49 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-O 117.305 -1.331 . . . . 0.0 113.034 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -46.35 -57.12 4.91 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 121.842 2.11 . . . . 0.0 113.278 166.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.623 ' CE2' HG23 ' B' ' 17' ' ' ILE . 19.8 m-85 -74.0 -26.51 60.49 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.292 15.5 t 95.79 47.44 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.686 2.794 . . . . 0.0 111.064 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -123.92 51.79 1.51 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 128.637 2.775 . . . . 0.0 106.819 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -15.42 57.76 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.178 -1.576 . . . . 0.0 112.78 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -58.46 -24.44 60.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.198 1.799 . . . . 0.0 115.657 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.12 -48.93 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.128 -1.607 . . . . 0.0 109.507 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 -38.36 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.491 2.316 . . . . 0.0 112.394 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.1 tm-20 -54.84 -18.54 4.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.245 3.018 . . . . 0.0 117.627 177.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.18 137.11 54.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.75 -1.218 . . . . 0.0 109.716 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -57.57 -56.47 21.43 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.883 -1.761 . . . . 0.0 112.084 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.4 97.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -168.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -73.23 -26.18 61.02 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.707 -1.871 . . . . 0.0 113.202 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -69.05 -48.04 63.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.857 1.663 . . . . 0.0 110.723 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.93 -36.34 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 C-N-CA 128.802 2.841 . . . . 0.0 112.969 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.32 76.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 125.101 1.361 . . . . 0.0 107.731 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -58.67 -36.28 73.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 166.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.32 -41.84 90.01 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.604 -1.935 . . . . 0.0 113.035 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.18 -25.52 64.38 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.952 -1.718 . . . . 0.0 114.582 169.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.99 -60.59 2.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.83 1.252 . . . . 0.0 112.536 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.93 -14.26 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.613 1.197 . . . . 0.0 111.485 -170.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.67 47.92 5.18 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 117.864 -1.52 . . . . 0.0 115.28 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.51 117.65 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-N 122.421 3.111 . . . . 0.0 104.804 160.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -125.26 132.97 52.85 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.203 1.001 . . . . 0.0 109.48 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.49 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 50.0 t60 -71.41 -84.02 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -170.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -90.13 38.23 0.92 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.286 -2.759 . . . . 0.0 109.947 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.73 2.82 71.27 Favored Glycine 0 N--CA 1.43 -1.739 0 O-C-N 119.615 -1.928 . . . . 0.0 114.818 -166.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -102.97 147.67 26.64 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.053 1.341 . . . . 0.0 111.006 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -77.61 143.2 38.44 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.982 -1.074 . . . . 0.0 113.793 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -85.69 124.82 32.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.723 -1.236 . . . . 0.0 113.897 -156.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -84.16 164.69 19.0 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.485 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.13 -2.232 . . . . 0.0 112.861 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.25 -38.14 60.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.788 -1.195 . . . . 0.0 112.622 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.1 m -75.97 -30.61 58.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.809 -1.182 . . . . 0.0 112.551 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -66.06 -45.58 80.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.83 0.824 . . . . 0.0 108.979 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -65.14 -36.32 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.699 -1.876 . . . . 0.0 115.767 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -63.49 -25.26 68.18 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.454 0.1 OUTLIER -68.31 -51.72 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 162.272 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -80.29 -37.75 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -66.37 -60.75 2.47 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.353 -2.092 . . . . 0.0 115.785 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.94 10.81 20.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.682 -1.886 . . . . 0.0 115.835 -159.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.1 mt -51.49 134.14 29.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.061 2.144 . . . . 0.0 115.824 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.5 p -61.78 150.06 38.15 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -56.27 -45.08 80.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 112.786 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -54.33 -43.86 71.59 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.94 -27.85 65.09 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.039 -1.663 . . . . 0.0 113.609 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -76.83 -44.55 31.99 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.65 -1.906 . . . . 0.0 110.239 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -60.4 -30.66 69.74 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.746 1.218 . . . . 0.0 113.179 169.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.1 m -59.56 -45.53 91.57 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.271 1.829 . . . . 0.0 110.998 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.75 -36.9 62.61 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.549 -1.97 . . . . 0.0 112.382 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.22 -43.06 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.26 -1.525 . . . . 0.0 113.556 167.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -63.38 -49.57 73.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -93.62 -25.46 17.51 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -166.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -121.28 67.25 0.88 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.863 2.065 . . . . 0.0 109.907 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -57.63 -71.75 0.1 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.234 -1.541 . . . . 0.0 115.132 -166.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.22 -43.34 82.29 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.05 -44.77 65.34 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.695 -1.253 . . . . 0.0 115.106 -172.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.351 0.2 OUTLIER -74.75 -36.22 62.62 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 118.675 1.238 . . . . 0.0 109.843 -176.232 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -44.83 -59.29 2.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.331 1.878 . . . . 0.0 114.367 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.58 -65.57 3.17 Favored Glycine 0 N--CA 1.429 -1.788 0 N-CA-C 115.768 1.067 . . . . 0.0 115.768 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -68.02 -20.47 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.134 -2.392 . . . . 0.0 114.657 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -80.63 -20.93 42.06 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.845 -1.784 . . . . 0.0 113.706 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -61.63 -41.88 98.12 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.594 -1.642 . . . . 0.0 112.941 163.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.19 -54.12 20.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 128.269 2.628 . . . . 0.0 107.954 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.0 -48.85 78.78 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -57.1 -43.08 81.88 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.8 ptp -75.82 -24.26 55.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.429 1.109 . . . . 0.0 112.95 -173.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-30 -89.16 -3.75 58.5 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.912 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.52 0.1 OUTLIER -134.02 51.09 2.15 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.456 1.598 . . . . 0.0 110.55 169.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.96 116.7 22.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.142 -2.223 . . . . 0.0 110.687 161.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 166.859 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 37.0 mttp -113.75 168.71 9.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.844 1.258 . . . . 0.0 108.512 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -75.49 -32.24 60.48 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.126 -1.609 . . . . 0.0 112.514 -174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -62.43 -43.24 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 127.739 2.415 . . . . 0.0 112.147 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.22 -39.64 71.59 Favored 'General case' 0 CA--C 1.488 -1.407 0 C-N-CA 124.68 1.192 . . . . 0.0 113.02 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -70.91 -39.53 72.68 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.7 -1.25 . . . . 0.0 111.164 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.69 -37.26 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.104 -2.248 . . . . 0.0 114.862 165.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -71.53 -48.79 46.52 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.131 1.772 . . . . 0.0 112.525 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.98 -30.72 71.73 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 113.252 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mt -80.36 -19.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.479 -2.013 . . . . 0.0 113.444 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.1 -53.95 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 117.815 -3.053 . . . . 0.0 110.443 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -58.73 -42.78 89.55 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.567 HG13 HD11 ' B' ' 17' ' ' ILE . 4.8 t -54.3 -45.83 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.655 1.982 . . . . 0.0 114.527 170.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.91 77.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.598 -1.939 . . . . 0.0 112.631 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.8 p -63.32 -29.09 70.46 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' B' ' 17' ' ' ILE . 19.5 mm -51.25 -54.47 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 164.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.12 -41.38 83.5 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.55 -34.25 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -50.95 -41.42 59.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.878 -2.389 . . . . 0.0 113.914 165.535 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -90.03 12.75 16.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t 50.91 38.95 21.51 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.763 2.025 . . . . 0.0 115.331 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -115.34 56.52 0.75 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.877 1.322 . . . . 0.0 110.238 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -6.12 23.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 169.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.94 -36.04 36.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.472 2.709 . . . . 0.0 114.869 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.4 mt -76.69 -43.78 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 125.413 1.485 . . . . 0.0 111.627 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.88 -44.72 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.395 1.878 . . . . 0.0 112.592 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.11 -14.02 0.98 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 130.381 3.472 . . . . 0.0 116.713 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -127.57 114.74 17.81 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.546 -1.972 . . . . 0.0 111.956 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -32.56 -64.34 0.18 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.702 3.201 . . . . 0.0 114.712 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -44.85 84.59 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.62 -36.05 73.44 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.5 t80 -64.02 -49.33 72.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.415 1.886 . . . . 0.0 112.727 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.6 -39.85 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 128.485 2.714 . . . . 0.0 113.465 169.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.16 74.68 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 123.877 0.871 . . . . 0.0 109.713 175.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -53.09 -43.35 66.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.649 1.98 . . . . 0.0 115.153 167.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' PHE . 15.8 mt -58.42 -44.08 88.94 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.433 -2.042 . . . . 0.0 113.734 175.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -72.77 -24.73 60.99 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.992 -1.692 . . . . 0.0 114.327 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.88 -46.04 59.2 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.65 1.58 . . . . 0.0 111.928 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.9 pt -89.63 -12.64 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.651 -1.281 . . . . 0.0 112.349 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.5 28.83 13.35 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.319 2.3 t -70.35 110.85 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 119.433 1.617 . . . . 0.0 108.956 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 p -102.92 142.91 33.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.87 1.268 . . . . 0.0 107.596 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.5 t60 -73.29 -95.09 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.515 -1.366 . . . . 0.0 112.302 168.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.82 47.44 1.1 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.12 -2.237 . . . . 0.0 110.193 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.56 -9.09 75.0 Favored Glycine 0 N--CA 1.43 -1.74 0 O-C-N 121.432 -0.792 . . . . 0.0 113.534 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -95.93 138.35 33.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.587 1.555 . . . . 0.0 109.544 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -63.46 147.19 51.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.145 -0.972 . . . . 0.0 111.043 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.88 123.34 31.9 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.492 -1.38 . . . . 0.0 114.409 -162.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -93.32 161.0 14.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.6 1.16 . . . . 0.0 110.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -73.33 -31.68 64.13 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.845 -1.785 . . . . 0.0 115.007 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -77.16 -40.39 45.64 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.567 -1.333 . . . . 0.0 113.427 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.1 m -74.21 -23.36 59.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.474 -1.391 . . . . 0.0 113.962 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -58.72 -53.28 60.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.007 1.323 . . . . 0.0 109.999 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -29.72 70.42 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.773 -1.205 . . . . 0.0 113.617 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 31.5 pttt -66.46 -42.89 86.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.958 1.708 . . . . 0.0 115.152 169.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 57' ' ' ILE 0.346 44.4 pt -56.53 -48.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 113.097 175.353 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -78.44 -41.7 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -80.93 -55.4 4.82 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.367 6.6 pt-20 -82.93 21.37 1.05 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -166.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.35 151.95 12.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.542 1.537 . . . . 0.0 112.855 165.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 p -78.91 170.0 17.35 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.419 -2.051 . . . . 0.0 111.739 173.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -60.33 -40.89 92.25 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.198 -1.564 . . . . 0.0 112.875 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.3 -31.92 70.71 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 124.864 1.266 . . . . 0.0 114.335 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.07 -41.01 97.71 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.108 1.432 . . . . 0.0 111.243 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -72.67 -46.46 53.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.74 1.616 . . . . 0.0 110.204 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -35.43 65.17 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.4 m -62.99 -39.72 95.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.112 -0.993 . . . . 0.0 112.772 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.15 -45.42 66.82 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.09 0.956 . . . . 0.0 112.004 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -49.17 -47.92 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.84 1.656 . . . . 0.0 113.604 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -66.48 -31.9 72.93 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -93.69 -37.08 12.01 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -114.37 65.54 0.67 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.386 1.475 . . . . 0.0 108.041 -170.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -59.76 -69.18 0.22 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -166.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.05 -32.94 74.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.773 -1.829 . . . . 0.0 114.341 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 -59.43 4.91 Favored Glycine 0 N--CA 1.43 -1.753 0 C-N-CA 125.045 1.307 . . . . 0.0 113.12 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.255 0.9 OUTLIER -77.06 -13.32 59.97 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.119 -1.224 . . . . 0.0 110.83 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.03 -61.46 2.62 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.15 -2.219 . . . . 0.0 110.452 165.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.72 -55.06 12.26 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 124.117 0.865 . . . . 0.0 114.859 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.39 -22.34 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 119.72 -2.047 . . . . 0.0 111.508 -167.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -76.13 -36.08 58.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.576 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.255 26.2 mmt180 -48.15 -46.73 34.81 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 120.753 1.615 . . . . 0.0 112.75 168.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.77 -53.1 59.55 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.599 1.56 . . . . 0.0 109.632 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.44 -37.72 86.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.956 -1.715 . . . . 0.0 114.883 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -70.28 -36.0 74.1 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.26 -1.525 . . . . 0.0 113.379 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.5 ptp -80.16 -26.87 39.14 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.224 -1.548 . . . . 0.0 115.088 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.87 -3.56 57.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.557 -1.339 . . . . 0.0 112.208 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.31 12.7 t -136.35 25.15 3.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.644 -1.285 . . . . 0.0 113.489 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -81.96 115.37 21.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 163.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt . . . . . 0 N--CA 1.43 -1.464 0 O-C-N 119.509 -1.994 . . . . 0.0 111.477 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 . . . . . 0 N--CA 1.429 -1.483 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -119.36 -175.8 3.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -70.44 -47.77 59.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 tt -46.93 -58.3 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 C-N-CA 127.13 2.172 . . . . 0.0 115.171 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -32.12 -47.1 0.13 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.662 2.385 . . . . 0.0 116.853 172.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -51.48 65.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.646 1.578 . . . . 0.0 111.733 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.8 -39.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.769 2.028 . . . . 0.0 111.032 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -52.45 -59.11 4.82 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 129.504 3.122 . . . . 0.0 115.079 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.27 -28.21 66.1 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.131 -2.231 . . . . 0.0 114.736 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -73.09 -37.5 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.252 -2.155 . . . . 0.0 112.352 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.17 -42.32 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.126 2.57 . . . . 0.0 116.735 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -67.69 -47.83 68.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 17' ' ' ILE . 6.3 t -51.51 -42.89 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 168.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.82 81.38 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.726 -1.234 . . . . 0.0 111.237 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.487 ' HB3' HG11 ' B' ' 80' ' ' VAL . 15.5 p -62.45 -25.11 67.8 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' A' ' 17' ' ' ILE . 12.4 mm -62.06 -48.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 124.944 1.298 . . . . 0.0 111.619 172.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 3.2 mp -63.33 -37.94 89.24 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.344 -1.473 . . . . 0.0 113.041 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mt -64.76 -30.77 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 124.971 1.309 . . . . 0.0 113.06 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -32.04 72.93 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.394 1.478 . . . . 0.0 113.305 173.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -100.73 10.53 41.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.417 -1.427 . . . . 0.0 114.11 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t 74.05 20.02 2.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.749 1.62 . . . . 0.0 114.017 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -104.48 36.34 2.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.27 1.828 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.285 0.0 OUTLIER -56.8 -24.38 50.24 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.106 1.763 . . . . 0.0 115.591 169.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -38.46 -42.1 0.71 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.171 2.656 . . . . 0.0 118.171 160.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD23 ' B' ' 18' ' ' LEU . 35.2 mt -68.88 -42.58 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 O-C-N 120.428 -1.42 . . . . 0.0 111.06 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.45 -33.0 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 124.788 1.235 . . . . 0.0 112.052 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.8 tt0 -58.33 -18.77 29.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.909 2.884 . . . . 0.0 118.046 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -127.29 125.97 41.8 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.835 -1.79 . . . . 0.0 112.477 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -46.84 -60.88 2.14 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.147 2.579 . . . . 0.0 114.656 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.1 -15.64 60.06 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -79.17 -38.05 36.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.839 -1.163 . . . . 0.0 109.28 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.55 -53.07 62.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.232 1.013 . . . . 0.0 113.308 172.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 51' ' ' GLN . 29.5 mt -58.22 -37.8 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 127.017 2.127 . . . . 0.0 113.726 174.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.24 71.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 112.881 172.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -80.43 -35.55 34.91 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 176.44 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.78 -46.01 88.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 119.677 1.126 . . . . 0.0 112.388 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.27 -40.28 93.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -52.91 -61.81 2.06 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 119.971 1.26 . . . . 0.0 113.759 170.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.4 pt -79.94 -17.37 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -170.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.43 50.7 5.59 Favored Glycine 0 N--CA 1.43 -1.764 0 O-C-N 120.945 -1.097 . . . . 0.0 115.413 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.36 118.09 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 123.32 1.533 . . . . 0.0 107.242 159.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -101.94 158.12 16.37 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.501 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.296 18.0 t-160 -79.86 -96.96 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 151.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.21 42.13 1.05 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.66 -2.525 . . . . 0.0 111.201 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.45 17.3 72.43 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 120.298 -1.501 . . . . 0.0 114.559 -162.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -114.76 158.28 22.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.728 -2.043 . . . . 0.0 107.236 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -70.54 144.9 51.16 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.818 0.818 . . . . 0.0 111.547 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.39 130.13 37.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 122.776 1.274 . . . . 0.0 110.988 -170.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.46 151.06 20.37 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.291 1.036 . . . . 0.0 109.685 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.459 ' HG2' HG21 ' B' ' 34' ' ' ILE . 65.4 mt-30 -67.96 -30.26 69.5 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.89 -50.79 26.23 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.603 -1.311 . . . . 0.0 113.318 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -68.21 -25.38 65.19 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.312 -2.118 . . . . 0.0 116.199 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.55 -54.55 21.65 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.759 -1.838 . . . . 0.0 113.547 163.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -68.11 -22.95 64.86 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.307 13.2 pttt -69.64 -48.78 58.72 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.64 -1.287 . . . . 0.0 114.297 166.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.272 30.4 pt -53.79 -49.41 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.84 2.109 . . . . 0.0 114.074 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -71.89 -35.54 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -87.8 -43.71 11.66 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.324 7.7 pt-20 -95.5 15.63 19.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.942 1.701 . . . . 0.0 115.309 -168.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -46.0 148.74 0.77 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.038 -1.664 . . . . 0.0 114.311 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 49.8 p -83.9 171.61 12.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 107.848 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.04 -36.4 69.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.756 -1.84 . . . . 0.0 110.796 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.74 -33.89 76.93 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.744 -1.848 . . . . 0.0 114.19 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.35 -34.91 76.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.123 -1.611 . . . . 0.0 114.263 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -76.14 -36.06 58.96 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.684 -1.885 . . . . 0.0 110.9 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.13 82.46 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.636 -1.29 . . . . 0.0 111.945 169.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.659 1.183 . . . . 0.0 111.797 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.25 -44.73 87.21 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.985 -1.697 . . . . 0.0 112.745 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.71 -52.06 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.596 1.558 . . . . 0.0 114.905 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -64.2 -36.01 82.68 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.998 1.319 . . . . 0.0 113.656 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.99 -16.52 24.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.587 -1.945 . . . . 0.0 114.191 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -138.29 77.1 1.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.157 -1.589 . . . . 0.0 108.269 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.37 -71.74 0.17 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.295 -2.128 . . . . 0.0 114.907 -165.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.57 -35.65 80.73 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.02 -1.05 . . . . 0.0 112.621 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.459 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.15 -57.11 20.77 Favored Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 126.056 1.789 . . . . 0.0 113.313 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.435 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.263 2.2 t80 -74.88 -39.16 61.67 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.791 -1.099 . . . . 0.0 111.958 -177.214 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -41.16 -64.16 0.59 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.31 -54.96 26.3 Favored Glycine 0 N--CA 1.43 -1.757 0 CA-C-O 122.102 0.835 . . . . 0.0 114.152 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' B' ' 16' ' ' SER . 14.2 m -65.76 -28.76 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.945 -1.915 . . . . 0.0 114.021 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -82.99 -16.12 48.48 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.664 1.186 . . . . 0.0 112.227 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -61.38 -47.63 84.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.676 -1.89 . . . . 0.0 112.232 159.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.74 -51.46 59.08 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.892 1.277 . . . . 0.0 108.679 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.08 -31.94 71.6 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -77.34 -42.68 35.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.603 -1.31 . . . . 0.0 113.543 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 16.0 ptp -76.64 -30.78 57.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.909 -1.744 . . . . 0.0 115.165 -168.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.9 m-85 -82.11 5.61 19.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.634 -1.916 . . . . 0.0 113.618 -174.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER -119.74 15.18 12.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.92 1.288 . . . . 0.0 108.491 173.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -73.39 130.48 40.23 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.43 -2.669 . . . . 0.0 109.228 166.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt . . . . . 0 N--CA 1.429 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 111.726 -169.227 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 119.588 -0.244 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 64.6 mmtt -111.43 -159.23 0.67 Allowed 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 120.774 -1.204 . . . . 0.0 107.894 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -75.6 -60.66 2.21 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.102 -2.249 . . . . 0.0 111.034 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -39.62 -39.73 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 128.659 2.783 . . . . 0.0 117.161 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' HA ' HH11 ' A' ' 9' ' ' ARG . 38.9 m-20 -59.34 -50.24 74.73 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.854 2.062 . . . . 0.0 111.792 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.32 21.4 m -68.9 -30.82 69.39 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' VAL . 6.7 t -59.02 -51.31 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 118.46 -2.65 . . . . 0.0 112.215 168.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HA ' ' A' ' 6' ' ' ASP 0.371 0.1 OUTLIER -61.15 -43.52 98.75 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.694 2.398 . . . . 0.0 112.852 -173.058 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.99 -28.8 63.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.125 -2.234 . . . . 0.0 114.534 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.13 -38.21 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 118.714 -2.491 . . . . 0.0 111.405 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -46.8 -40.73 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 129.237 3.015 . . . . 0.0 115.182 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -72.73 -46.46 53.42 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.723 -0.611 . . . . 0.0 111.359 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 17' ' ' ILE . 4.1 t -52.63 -48.03 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.955 2.502 . . . . 0.0 114.778 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.26 96.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 112.755 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 p -66.21 -16.26 63.85 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 HG21 ' B' ' 17' ' ' ILE . 5.1 mm -65.7 -49.34 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 121.037 1.744 . . . . 0.0 109.705 170.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.85 -34.99 75.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.688 -1.257 . . . . 0.0 113.451 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.4 mt -80.04 -23.66 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 119.43 -2.044 . . . . 0.0 113.131 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.63 76.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.617 1.567 . . . . 0.0 109.689 169.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -100.45 3.03 42.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.531 -1.356 . . . . 0.0 114.606 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t 60.07 46.67 10.47 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -118.57 33.12 5.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.497 2.319 . . . . 0.0 111.972 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.374 0.0 OUTLIER -56.16 -16.27 4.98 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 120.468 3.507 . . . . 0.0 120.468 178.763 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -42.28 -39.07 1.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.12 -42.71 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 O-C-N 120.253 -1.529 . . . . 0.0 110.621 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.5 -41.75 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 126.82 2.048 . . . . 0.0 113.967 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.6 pt-20 -70.37 -17.19 63.04 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -112.56 118.75 35.97 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 109.33 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -35.34 -54.12 0.65 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.734 2.814 . . . . 0.0 115.67 169.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.29 17.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -51.16 -36.95 43.61 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.34 1.056 . . . . 0.0 113.823 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.15 -61.31 2.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.514 1.526 . . . . 0.0 115.106 165.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -50.91 -39.24 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 128.384 2.674 . . . . 0.0 115.386 174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.72 70.18 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.519 -1.988 . . . . 0.0 114.344 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -39.22 67.64 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.005 2.122 . . . . 0.0 110.021 173.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.95 -36.68 70.54 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -75.67 -28.22 58.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 118.943 -2.348 . . . . 0.0 114.81 168.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.5 -56.26 19.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 120.308 1.413 . . . . 0.0 110.889 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -79.93 -24.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.63 4.09 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.236 -1.54 . . . . 0.0 115.408 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.45 104.35 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 119.13 1.465 . . . . 0.0 108.701 164.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -93.07 130.4 38.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.799 -1.188 . . . . 0.0 109.216 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.1 t60 -64.82 -80.51 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.19 57.67 0.61 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.356 -1.465 . . . . 0.0 107.251 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.39 19.97 49.21 Favored Glycine 0 N--CA 1.429 -1.785 0 N-CA-C 119.882 2.713 . . . . 0.0 119.882 -172.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -128.62 171.92 11.7 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.22 151.51 39.94 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.733 -1.23 . . . . 0.0 111.256 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -95.19 120.92 36.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.314 1.53 . . . . 0.0 111.473 -167.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -96.16 164.3 12.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.769 -169.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -78.54 -41.87 30.95 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.972 -1.705 . . . . 0.0 112.074 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -60.99 -61.32 2.66 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 125.729 1.612 . . . . 0.0 112.583 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -69.5 -9.99 56.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.66 -45.18 76.0 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.444 -2.035 . . . . 0.0 110.091 164.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -19.4 63.66 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.746 -1.221 . . . . 0.0 112.424 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.359 30.8 pttt -65.13 -49.89 68.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.363 -2.086 . . . . 0.0 115.948 158.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.276 29.4 pt -59.1 -49.93 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-N 120.688 1.585 . . . . 0.0 114.543 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.1 m -76.22 -34.78 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.095 -1.628 . . . . 0.0 114.883 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -82.25 -52.26 7.12 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.39 8.47 38.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 119.465 -2.022 . . . . 0.0 115.375 -161.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.7 mt -43.53 147.21 0.43 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.0 p -76.3 174.04 10.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.319 -0.863 . . . . 0.0 109.472 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.4 -37.97 77.75 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.616 -1.927 . . . . 0.0 110.595 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -56.48 -48.0 78.05 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.608 1.963 . . . . 0.0 113.519 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -55.79 -37.56 68.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.49 -33.67 31.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.468 -1.395 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.27 93.96 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.513 -1.367 . . . . 0.0 112.146 171.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -61.11 -33.22 73.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 123.673 0.789 . . . . 0.0 113.074 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.7 -37.1 62.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.245 -1.534 . . . . 0.0 113.431 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.81 -41.56 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 124.815 1.246 . . . . 0.0 112.521 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -65.8 -43.68 87.95 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -87.34 -41.71 13.42 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 110.68 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -112.79 61.22 0.63 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.074 1.75 . . . . 0.0 112.649 -172.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -53.88 -72.31 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.827 -2.421 . . . . 0.0 117.309 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.65 -39.04 84.59 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.139 -1.6 . . . . 0.0 111.578 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.42 -50.82 35.48 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 124.524 1.059 . . . . 0.0 114.645 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.297 0.1 OUTLIER -69.53 -46.51 66.32 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.057 -178.051 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -51.96 -39.63 59.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.0 2.182 . . . . 0.0 116.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.65 -71.21 0.81 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 120.762 -1.211 . . . . 0.0 116.051 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -64.52 -23.67 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.69 -2.065 . . . . 0.0 114.606 -176.179 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -76.1 -17.52 59.57 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.522 -1.986 . . . . 0.0 114.935 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.215 -2.178 . . . . 0.0 110.415 163.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -69.4 -53.48 19.18 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.801 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.04 -56.51 19.89 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.7 -1.25 . . . . 0.0 111.483 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.36 -33.34 53.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.269 11.2 ptp -84.66 -32.57 23.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 112.816 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-85 -83.21 -2.86 56.6 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.624 -1.922 . . . . 0.0 111.818 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.312 1.6 t -134.32 42.3 2.88 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.025 1.393 . . . . 0.0 107.764 166.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -66.06 119.59 11.66 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.431 -1.418 . . . . 0.0 108.218 143.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.3 mttt . . . . . 0 N--CA 1.43 -1.432 0 O-C-N 121.054 -1.028 . . . . 0.0 111.285 -166.161 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.1 m120 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.426 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -133.87 171.51 14.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 126.31 1.844 . . . . 0.0 108.151 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.96 -59.97 3.04 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.575 -1.328 . . . . 0.0 112.378 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -39.95 -49.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.742 2.417 . . . . 0.0 114.858 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.12 -40.27 68.26 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.577 1.151 . . . . 0.0 113.015 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . 0.263 31.0 m -68.19 -42.08 80.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.027 -2.296 . . . . 0.0 113.704 171.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 t -49.78 -33.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.691 -2.506 . . . . 0.0 114.298 163.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -71.91 -47.14 54.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.009 1.323 . . . . 0.0 113.109 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.89 -33.99 71.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 121.062 -1.024 . . . . 0.0 113.066 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.85 -25.71 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.526 -2.609 . . . . 0.0 113.88 168.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.45 -47.81 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.433 -2.042 . . . . 0.0 112.63 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -65.91 -45.49 81.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.783 -1.198 . . . . 0.0 112.234 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 17' ' ' ILE . 2.9 t -53.02 -46.76 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.602 1.961 . . . . 0.0 114.301 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.5 70.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.295 -2.128 . . . . 0.0 114.096 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.1 p -62.88 -29.48 70.79 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 171.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 14' ' ' VAL . 8.9 mm -55.49 -53.18 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.296 1.438 . . . . 0.0 110.936 167.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.07 -41.39 83.29 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.81 -34.54 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.414 1.485 . . . . 0.0 114.492 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.51 75.06 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.802 -1.811 . . . . 0.0 113.323 167.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -85.74 -3.76 58.98 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.487 -1.383 . . . . 0.0 113.742 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t 55.44 48.67 18.44 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.244 2.683 . . . . 0.0 118.244 -171.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -114.48 54.57 0.76 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.678 1.991 . . . . 0.0 111.215 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -73.72 -4.85 37.0 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.228 -2.17 . . . . 0.0 116.569 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.44 -32.81 28.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.945 2.098 . . . . 0.0 115.185 167.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.68 -39.95 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 125.075 1.35 . . . . 0.0 110.218 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -68.79 -45.98 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.388 0 C-N-CA 127.434 2.294 . . . . 0.0 112.263 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -58.85 -25.59 63.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -175.246 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -112.89 107.1 15.56 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -43.21 -31.61 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.75 -38.17 18.52 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.619 2.463 . . . . 0.0 111.921 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -63.14 -33.46 75.51 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.055 -1.653 . . . . 0.0 111.796 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.69 -54.61 32.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.101 2.16 . . . . 0.0 112.665 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' B' ' 54' ' ' PHE . 33.6 mt -52.83 -41.98 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.608 2.363 . . . . 0.0 111.869 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.46 81.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 112.982 -3.487 . . . . 0.0 114.172 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.05 -41.62 62.47 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 128.022 2.529 . . . . 0.0 113.936 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.29 -45.95 69.13 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.714 -2.491 . . . . 0.0 114.325 169.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -73.4 -12.5 60.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.897 1.679 . . . . 0.0 115.059 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.62 -58.1 3.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.638 1.175 . . . . 0.0 112.022 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -88.07 -12.12 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.855 -1.153 . . . . 0.0 110.631 -166.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.93 36.23 4.81 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.688 -1.257 . . . . 0.0 116.171 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.254 1.9 t -74.86 90.67 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.817 1.294 . . . . 0.0 110.319 166.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.4 p -109.62 116.69 32.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.988 1.715 . . . . 0.0 108.645 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 23.9 t60 -64.97 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -165.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.17 57.38 0.66 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.485 -1.384 . . . . 0.0 107.268 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.16 -8.04 68.96 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 124.265 0.936 . . . . 0.0 114.805 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -114.73 156.1 25.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.954 -1.321 . . . . 0.0 110.719 -166.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -59.31 128.63 38.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.996 1.318 . . . . 0.0 111.563 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.04 130.13 34.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.759 1.266 . . . . 0.0 110.146 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -95.59 155.36 16.77 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.416 1.087 . . . . 0.0 109.676 -165.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -63.4 -40.6 97.64 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.967 -1.708 . . . . 0.0 112.917 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -67.9 -46.53 71.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.669 -1.269 . . . . 0.0 113.172 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -75.68 -14.49 60.35 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.403 -1.436 . . . . 0.0 113.327 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CD2' HD11 ' B' ' 34' ' ' ILE . 72.5 t80 -71.58 -49.02 44.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.365 1.555 . . . . 0.0 109.166 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -25.26 60.48 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.759 -172.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 3.7 pttp -65.25 -61.87 1.88 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 116.556 -1.688 . . . . 0.0 113.804 160.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 34.7 pt -45.03 -45.07 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.41 -41.26 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -42.62 19.96 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.98 12.77 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.19 146.09 53.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.655 -1.903 . . . . 0.0 111.492 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 60.5 p -86.5 171.0 11.42 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.871 -1.143 . . . . 0.0 110.835 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.23 -50.53 72.58 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.128 0.971 . . . . 0.0 111.67 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.16 -38.17 79.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -63.29 -41.21 98.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.26 1.029 . . . . 0.0 113.148 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -77.89 -42.61 32.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.722 1.209 . . . . 0.0 109.835 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.84 -31.81 70.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.167 0.987 . . . . 0.0 112.787 170.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.9 m -61.96 -41.17 97.7 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 112.513 172.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.2 mt -73.41 -37.0 66.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.475 -1.391 . . . . 0.0 112.814 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.0 mt -49.3 -45.13 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.962 1.705 . . . . 0.0 113.688 167.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.93 -37.49 81.72 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.75 -40.45 9.36 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.117 -1.615 . . . . 0.0 113.535 -168.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.35 60.24 0.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 121.034 -1.041 . . . . 0.0 110.453 -167.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -41.96 -71.89 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -42.59 93.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 122.413 1.101 . . . . 0.0 113.723 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.46 -54.77 4.53 Favored Glycine 0 N--CA 1.431 -1.675 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.288 -161.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.278 0.2 OUTLIER -73.06 -36.84 66.96 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.191 -173.681 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -43.62 -57.38 3.19 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.546 1.976 . . . . 0.0 115.482 166.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -62.25 5.77 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 120.438 -1.414 . . . . 0.0 115.582 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.5 -20.93 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 118.1 -3.0 . . . . 0.0 112.941 -165.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -83.01 -16.42 47.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.568 -1.957 . . . . 0.0 112.795 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -62.93 -44.29 96.49 Favored 'General case' 0 N--CA 1.431 -1.388 0 O-C-N 118.864 -2.398 . . . . 0.0 112.174 158.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -69.78 -51.32 34.9 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.483 1.513 . . . . 0.0 108.594 -168.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.6 -28.18 69.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.843 -1.786 . . . . 0.0 112.9 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.05 -37.19 34.49 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.352 -2.093 . . . . 0.0 110.455 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 10.8 ptp -80.39 -11.92 59.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.422 -1.424 . . . . 0.0 113.32 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.0 m-85 -97.98 1.36 47.81 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.715 -1.241 . . . . 0.0 110.399 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.39 0.0 OUTLIER -144.13 61.61 1.35 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.619 -1.301 . . . . 0.0 111.614 173.062 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.63 103.91 15.64 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.501 -1.374 . . . . 0.0 110.365 155.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.422 0 C-N-CA 125.769 1.628 . . . . 0.0 111.014 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 25.8 mmtp -113.8 164.04 14.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.802 1.241 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -77.4 -57.98 3.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.049 -1.657 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 10.8 tt -38.03 -51.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.199 2.6 . . . . 0.0 117.469 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 56.2 m-20 -57.2 -27.76 62.26 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.89 2.476 . . . . 0.0 113.742 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.5 m -94.63 -27.37 15.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.986 -1.696 . . . . 0.0 109.237 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -64.2 -43.12 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 118.583 -2.573 . . . . 0.0 111.012 171.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -53.8 -53.06 57.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.835 3.654 . . . . 0.0 114.856 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' B' ' 9' ' ' ARG . 7.1 pt-20 -68.21 -35.22 77.63 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.7 -29.93 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 124.69 1.196 . . . . 0.0 109.952 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.27 -58.48 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 127.57 2.348 . . . . 0.0 111.853 167.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 1.1 p -52.93 -49.17 66.52 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG13 HD11 ' B' ' 17' ' ' ILE . 14.8 t -51.48 -48.68 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 168.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.947 1.356 . . . . 0.0 109.333 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.252 10.2 p -67.72 -22.26 65.25 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.504 HG21 HG21 ' B' ' 17' ' ' ILE . 25.9 mm -61.31 -45.11 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 122.477 2.399 . . . . 0.0 111.142 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -32.02 73.29 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.972 -1.705 . . . . 0.0 113.075 176.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.262 86.0 mt -80.36 -36.3 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.056 -1.652 . . . . 0.0 110.967 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG3' HG22 ' B' ' 40' ' ' ILE . 6.6 tmtm? -50.69 -51.81 46.04 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.546 3.138 . . . . 0.0 113.738 168.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.56 -33.58 69.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.43 1.3 t 93.85 32.29 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.808 2.043 . . . . 0.0 114.805 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.89 42.14 1.41 Allowed 'General case' 0 N--CA 1.431 -1.403 1 C-N-CA 131.877 4.071 . . . . 0.0 112.507 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.331 0.0 OUTLIER -60.28 -23.98 64.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 173.345 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -46.61 -25.0 0.62 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.65 -41.26 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 CA-C-N 121.651 2.023 . . . . 0.0 113.434 167.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -68.54 -22.64 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.865 2.466 . . . . 0.0 112.686 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.58 -10.61 59.59 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -129.55 125.27 35.87 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.2 -1.563 . . . . 0.0 111.283 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -48.33 -57.57 5.82 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 128.222 2.609 . . . . 0.0 113.694 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.46 -15.26 62.32 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.91 -36.57 23.24 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.997 -1.689 . . . . 0.0 107.034 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.43 -48.73 76.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.015 1.726 . . . . 0.0 112.585 173.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 51' ' ' GLN . 31.9 mt -57.07 -42.83 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.493 -2.629 . . . . 0.0 114.836 172.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 39' ' ' GLU . . . -60.73 -31.31 70.62 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.345 -1.472 . . . . 0.0 114.712 170.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.255 5.7 t80 -72.71 -40.51 66.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.431 1.493 . . . . 0.0 111.241 173.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.26 -48.08 82.97 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.533 -1.98 . . . . 0.0 114.431 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -57.84 -48.92 78.37 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.559 -1.963 . . . . 0.0 114.246 170.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 2.2 tp10 -52.93 -55.29 24.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 175.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -79.06 -16.81 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 119.688 -1.883 . . . . 0.0 113.843 -178.01 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.85 45.96 4.37 Favored Glycine 0 N--CA 1.43 -1.713 0 N-CA-C 116.026 1.17 . . . . 0.0 116.026 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -90.45 107.14 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 165.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -106.4 127.57 53.38 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.52 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.2 t60 -64.7 -79.91 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -171.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.52 46.67 1.02 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.313 -1.492 . . . . 0.0 108.359 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.13 19.82 17.92 Favored Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 117.954 1.942 . . . . 0.0 117.954 -163.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -127.76 168.65 14.82 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.58 153.47 31.91 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.386 -1.446 . . . . 0.0 113.742 -172.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.3 115.69 28.54 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-O 123.593 1.663 . . . . 0.0 109.166 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -100.3 177.07 5.16 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.837 1.255 . . . . 0.0 111.881 -168.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 34' ' ' ILE . 3.1 mt-30 -77.15 -38.74 51.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.798 -1.814 . . . . 0.0 112.611 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -71.28 -47.52 56.41 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.056 0.942 . . . . 0.0 113.105 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.78 -23.41 63.34 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.799 -1.813 . . . . 0.0 115.149 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.42 -52.24 66.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 125.366 2.508 . . . . 0.0 112.73 165.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -64.66 -28.55 69.68 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.893 -1.755 . . . . 0.0 114.22 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.289 12.8 ptpt -62.19 -47.48 84.27 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.141 -2.224 . . . . 0.0 115.284 162.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.304 30.7 pt -60.2 -48.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.536 -1.977 . . . . 0.0 113.46 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.92 -41.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.9 m -86.66 -39.75 15.77 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.265 3.6 pt-20 -83.97 9.5 12.17 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 121.861 2.119 . . . . 0.0 114.435 -171.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.77 145.2 12.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.408 -1.432 . . . . 0.0 112.109 175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -82.87 164.86 20.24 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.09 -39.2 81.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.337 -2.727 . . . . 0.0 114.936 172.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.69 -25.57 65.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.47 -30.42 67.23 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.086 -1.634 . . . . 0.0 111.84 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -81.65 -48.16 12.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.351 -1.468 . . . . 0.0 108.39 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -48.33 -39.7 22.81 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 121.433 1.924 . . . . 0.0 115.994 164.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 m -60.85 -38.5 85.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.33 -40.26 89.78 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.582 -1.324 . . . . 0.0 112.321 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.25 -31.94 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 126.643 1.977 . . . . 0.0 114.259 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.91 -43.7 95.18 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.394 -2.066 . . . . 0.0 113.111 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.06 -29.25 17.44 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.28 76.85 1.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 104.256 -2.498 . . . . 0.0 104.256 -167.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -69.94 -67.99 0.45 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.414 -1.429 . . . . 0.0 110.342 -166.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.5 -46.9 87.48 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.977 1.711 . . . . 0.0 114.228 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -52.72 -60.76 7.51 Favored Glycine 0 N--CA 1.43 -1.7 0 C-N-CA 125.844 1.688 . . . . 0.0 115.292 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.254 0.7 OUTLIER -77.3 -27.84 53.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.726 -1.455 . . . . 0.0 109.982 -168.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.24 -60.12 3.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 122.748 2.522 . . . . 0.0 112.323 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -65.91 2.98 Favored Glycine 0 N--CA 1.43 -1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 114.314 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 76' ' ' GLY 0.251 33.5 m -70.34 -18.84 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.982 -2.481 . . . . 0.0 115.89 -168.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -86.57 -10.66 53.5 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.849 -1.782 . . . . 0.0 113.395 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -66.34 -42.35 88.25 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.808 -2.433 . . . . 0.0 111.13 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -72.87 -48.21 39.42 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.811 2.045 . . . . 0.0 110.998 -173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.058 -2.901 . . . . 0.0 114.03 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -71.86 -63.3 1.16 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.651 -1.281 . . . . 0.0 110.091 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.337 6.3 ptp -37.49 -40.66 0.39 Allowed 'General case' 0 N--CA 1.43 -1.465 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 173.118 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.84 7.49 23.75 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.226 0.921 . . . . 0.0 112.516 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.278 1.3 t -139.55 55.06 1.68 Allowed 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 123.841 1.781 . . . . 0.0 109.482 171.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.2 120.71 30.81 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.618 1.567 . . . . 0.0 110.245 166.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt . . . . . 0 N--CA 1.429 -1.476 0 C-N-CA 124.335 1.054 . . . . 0.0 108.278 173.06 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 N--CA 1.429 -1.484 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.456 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 40.5 mttm -112.84 -179.1 3.56 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 167.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASN . . . . . 0.485 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.2 m-20 -72.31 -37.16 69.0 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.228 -1.545 . . . . 0.0 112.175 175.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -69.69 -45.24 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.483 1.913 . . . . 0.0 111.717 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.28 -33.4 69.39 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.246 1.818 . . . . 0.0 111.573 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.4 m -76.84 -49.04 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 112.599 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.8 t -48.78 -37.8 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.704 -1.873 . . . . 0.0 113.862 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 10' ' ' GLU . 52.5 ttt-85 -64.38 -59.54 4.24 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 130.54 3.536 . . . . 0.0 110.58 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.63 -31.13 72.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -71.72 -28.38 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 118.257 -2.777 . . . . 0.0 113.886 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.487 HG23 HG21 ' B' ' 80' ' ' VAL . 3.9 mt -54.29 -55.28 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.553 2.341 . . . . 0.0 113.231 173.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -64.28 -29.24 70.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -72.74 -36.77 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.943 -1.723 . . . . 0.0 111.867 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.75 60.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.419 -2.676 . . . . 0.0 113.356 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 80.3 p -58.58 -30.97 67.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.353 -2.092 . . . . 0.0 115.924 168.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.594 HD11 HG13 ' A' ' 14' ' ' VAL . 1.5 mm -54.71 -48.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.436 1.494 . . . . 0.0 112.485 166.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.74 -46.34 81.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.613 -1.304 . . . . 0.0 112.955 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.14 -35.36 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 119.59 -1.944 . . . . 0.0 115.239 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -39.53 31.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.648 1.567 . . . . 0.0 114.961 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -89.61 2.42 54.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.784 1.234 . . . . 0.0 113.386 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.5 t 58.68 38.36 25.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.498 2.319 . . . . 0.0 114.787 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -102.33 47.72 0.89 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.74 1.616 . . . . 0.0 110.331 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.392 0.0 OUTLIER -67.73 -16.33 64.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 176.719 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.42 -31.38 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 123.954 1.835 . . . . 0.0 110.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -77.03 -40.99 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.362 1.865 . . . . 0.0 112.457 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.67 -19.29 57.97 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -109.78 117.22 33.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -33.6 -54.28 0.44 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.677 3.191 . . . . 0.0 112.488 164.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.37 63.88 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -79.31 -24.2 43.0 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.321 -2.112 . . . . 0.0 111.13 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -69.09 -52.34 29.43 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.636 1.974 . . . . 0.0 111.844 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mt -57.24 -39.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.49 2.716 . . . . 0.0 112.812 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.23 -50.52 69.93 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.336 1.065 . . . . 0.0 109.545 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 25.9 t80 -52.63 -39.55 61.86 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 166.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.42 -39.09 92.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.256 -1.527 . . . . 0.0 112.79 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -76.52 -16.8 59.54 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 119.531 -1.98 . . . . 0.0 112.738 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.94 -61.97 1.62 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.739 1.616 . . . . 0.0 113.363 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -88.13 -12.64 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-O 123.083 1.42 . . . . 0.0 111.395 -171.555 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.16 46.71 6.87 Favored Glycine 0 N--CA 1.429 -1.791 0 CA-C-O 116.789 -2.117 . . . . 0.0 116.094 172.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.36 130.68 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 123.457 3.629 . . . . 0.0 105.965 164.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -128.78 157.42 41.5 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.875 1.321 . . . . 0.0 110.664 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.456 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 49.1 t60 -80.82 -72.84 0.4 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.781 -1.2 . . . . 0.0 110.607 172.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -104.89 33.62 3.54 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.64 -1.913 . . . . 0.0 111.94 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.1 5.11 64.87 Favored Glycine 0 N--CA 1.43 -1.746 0 O-C-N 119.934 -1.728 . . . . 0.0 115.212 -170.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -105.89 163.2 12.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 117.998 0.899 . . . . 0.0 108.945 -171.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.55 117.09 8.26 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.74 124.61 27.56 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.903 1.335 . . . . 0.0 110.567 -163.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -87.92 162.42 16.91 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.94 -1.1 . . . . 0.0 112.693 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.05 -40.96 78.23 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.87 -1.769 . . . . 0.0 112.66 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -67.97 -43.81 78.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.117 1.767 . . . . 0.0 112.178 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.6 m -72.73 -27.34 61.98 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.0 -1.688 . . . . 0.0 113.791 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.17 -49.5 69.55 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.041 1.401 . . . . 0.0 110.35 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -68.84 -29.55 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.767 -1.208 . . . . 0.0 113.27 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.327 10.3 ptpt -60.93 -56.54 19.88 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 164.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.324 26.0 pt -50.0 -46.08 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.68 -43.88 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -77.18 -50.98 11.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.281 4.8 pt-20 -81.59 13.44 3.1 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -169.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.452 HD11 HG21 ' B' ' 8' ' ' VAL . 38.8 mt -54.99 148.29 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 112.703 168.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -89.01 172.05 9.41 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.186 -1.571 . . . . 0.0 109.67 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.26 -45.93 76.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.572 -1.33 . . . . 0.0 113.111 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -61.7 -38.02 86.31 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.479 1.912 . . . . 0.0 114.123 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -63.41 -42.22 98.74 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.412 1.101 . . . . 0.0 112.994 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -73.87 -37.96 64.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.456 -1.402 . . . . 0.0 112.101 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.62 -37.39 75.78 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.531 0.733 . . . . 0.0 112.072 166.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -65.19 -37.74 88.28 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.164 -0.96 . . . . 0.0 112.665 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.62 -55.95 19.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.313 -1.492 . . . . 0.0 113.068 168.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.99 -46.13 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.478 1.911 . . . . 0.0 115.206 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.95 -36.33 81.1 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.362 -1.461 . . . . 0.0 114.894 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -103.93 -37.03 7.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.797 -1.814 . . . . 0.0 112.671 -168.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -113.07 70.11 0.71 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.536 1.534 . . . . 0.0 108.386 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -54.25 -66.93 0.31 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.494 1.517 . . . . 0.0 111.902 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.91 -47.48 65.68 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.45 1.5 . . . . 0.0 113.637 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.79 28.09 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 120.618 3.007 . . . . 0.0 120.618 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.251 0.1 OUTLIER -74.05 -33.05 63.57 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.92 1.86 . . . . 0.0 109.391 -172.195 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -55.03 -49.54 71.31 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.899 -1.751 . . . . 0.0 113.755 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.96 -70.09 1.09 Allowed Glycine 0 N--CA 1.43 -1.735 0 N-CA-C 114.982 0.753 . . . . 0.0 114.982 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.487 HG21 HG23 ' B' ' 12' ' ' ILE . 30.2 m -65.99 -21.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.5 -2.176 . . . . 0.0 115.534 -171.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -79.44 -19.17 50.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 120.298 1.408 . . . . 0.0 112.599 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.06 -44.27 96.27 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.873 -2.392 . . . . 0.0 111.18 162.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -65.03 -61.44 2.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 128.078 2.551 . . . . 0.0 109.374 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.77 -26.23 57.13 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.51 -1.994 . . . . 0.0 115.42 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -82.72 -36.52 25.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.424 -1.423 . . . . 0.0 109.926 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 9.9 ptp -80.63 -26.07 37.96 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -86.72 -8.37 57.47 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.878 -1.139 . . . . 0.0 112.283 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.316 14.6 t -141.28 69.56 1.34 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 122.768 1.27 . . . . 0.0 111.779 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -106.21 129.09 54.33 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 167.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mttm . . . . . 0 N--CA 1.43 -1.44 0 O-C-N 120.287 -1.508 . . . . 0.0 110.231 161.138 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 17.0 mtpp -115.56 -170.5 1.79 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -65.7 -55.83 15.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.446 1.499 . . . . 0.0 112.121 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 tt -41.36 -45.22 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -58.99 -53.36 59.28 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.37 1.868 . . . . 0.0 112.065 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -66.14 -32.7 74.3 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.382 -1.449 . . . . 0.0 114.363 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.39 -43.95 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.11 -2.869 . . . . 0.0 113.268 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.272 55.3 ttt180 -51.99 -58.02 7.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.992 2.917 . . . . 0.0 114.413 174.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.655 -1.278 . . . . 0.0 113.837 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.7 -39.69 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.111 -1.618 . . . . 0.0 111.226 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.8 mt -53.47 -40.08 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 127.262 2.225 . . . . 0.0 116.079 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 p -71.82 -41.02 68.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.957 -1.09 . . . . 0.0 111.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -58.31 -43.52 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.235 1.814 . . . . 0.0 114.999 168.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.99 95.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.07 -1.644 . . . . 0.0 112.043 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 p -70.83 -10.92 60.54 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 172.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 17' ' ' ILE . 34.0 mm -63.79 -51.27 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 120.179 1.354 . . . . 0.0 110.104 164.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 26' ' ' ILE . 3.1 mp -63.45 -33.35 75.36 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.601 -1.312 . . . . 0.0 112.344 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mt -77.44 -26.04 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.191 -1.568 . . . . 0.0 112.518 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.3 -44.98 96.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.747 -1.846 . . . . 0.0 113.369 164.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -87.53 -2.06 58.36 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.902 -1.749 . . . . 0.0 113.944 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t 64.8 41.82 4.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.461 1.904 . . . . 0.0 114.733 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -111.76 36.93 3.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.285 2.234 . . . . 0.0 110.735 174.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.388 0.0 OUTLIER -55.53 -24.26 31.0 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 176.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -33.78 -51.16 0.38 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 128.808 2.843 . . . . 0.0 117.274 163.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 18' ' ' LEU . 4.2 mt -66.82 -36.83 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.18 1.392 . . . . 0.0 112.203 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.45 -36.7 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.855 1.662 . . . . 0.0 113.264 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.263 1.6 pt-20 -67.2 -19.58 65.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 120.5 3.519 . . . . 0.0 120.5 -163.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -114.55 127.92 56.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.752 -1.843 . . . . 0.0 110.779 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -33.95 -61.95 0.33 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.738 3.215 . . . . 0.0 113.786 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.48 34.49 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -48.91 -38.26 22.19 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.96 -51.26 65.18 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.389 1.475 . . . . 0.0 114.941 170.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -51.07 -41.29 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 128.025 2.53 . . . . 0.0 114.822 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.25 93.89 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.736 -1.227 . . . . 0.0 113.112 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.0 -41.57 99.62 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.068 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.47 -44.45 76.48 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.163 -1.585 . . . . 0.0 114.564 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.39 -18.73 61.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.687 -1.883 . . . . 0.0 116.077 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -72.44 -50.52 25.66 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.312 -1.492 . . . . 0.0 109.911 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -7.56 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.771 -1.205 . . . . 0.0 113.282 -176.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.05 43.19 7.23 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 116.772 1.469 . . . . 0.0 116.772 173.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.02 123.87 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 119.302 1.551 . . . . 0.0 108.493 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -107.32 156.83 18.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.132 1.373 . . . . 0.0 109.713 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.539 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.339 4.1 t60 -73.87 -108.83 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 121.403 -0.81 . . . . 0.0 113.179 155.196 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CD ' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mp0 -93.02 54.11 2.1 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 118.42 -2.675 . . . . 0.0 110.968 -178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.06 22.74 73.33 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -129.17 156.71 43.49 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 169.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -81.21 153.45 27.18 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.093 -1.004 . . . . 0.0 109.922 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.48 128.38 44.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 123.045 1.402 . . . . 0.0 112.507 -144.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.26 157.67 17.02 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.159 -1.588 . . . . 0.0 112.21 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.02 -41.94 90.3 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.845 -1.784 . . . . 0.0 114.298 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -70.6 -45.57 65.04 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.154 1.382 . . . . 0.0 111.802 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -73.64 -18.65 61.01 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.42 -46.12 91.18 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 124.605 2.145 . . . . 0.0 111.042 163.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.46 -32.23 73.46 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.314 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.271 12.0 ptpt -65.47 -42.82 91.84 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.067 -1.645 . . . . 0.0 114.638 168.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 25.5 pt -62.15 -47.9 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.662 -1.274 . . . . 0.0 112.52 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.0 -38.04 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -78.88 -55.43 5.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.02 13.27 13.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.57 152.85 0.19 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.654 1.982 . . . . 0.0 115.225 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -82.98 174.28 11.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.72 -1.863 . . . . 0.0 109.354 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -70.79 -38.7 73.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.661 -1.899 . . . . 0.0 110.559 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.159 -2.213 . . . . 0.0 114.968 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -67.56 -30.07 69.61 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.601 1.191 . . . . 0.0 114.191 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.64 -38.54 47.6 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.35 -28.14 62.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.155 -1.591 . . . . 0.0 112.586 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.4 m -61.55 -40.97 96.6 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.844 -1.16 . . . . 0.0 113.287 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.07 -34.51 71.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.686 -1.259 . . . . 0.0 113.385 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.62 -36.8 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 112.423 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.49 -34.86 78.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.818 -2.426 . . . . 0.0 114.828 172.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -88.85 -25.42 22.18 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.424 -1.423 . . . . 0.0 114.125 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -146.93 70.08 1.19 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 119.626 -1.921 . . . . 0.0 106.757 -171.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -51.99 -71.68 0.06 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -167.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -33.2 62.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.047 1.339 . . . . 0.0 112.067 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -46.84 76.51 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 124.651 1.119 . . . . 0.0 114.455 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.387 0.2 OUTLIER -71.0 -45.11 64.55 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 119.523 1.662 . . . . 0.0 111.161 178.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -43.42 -52.47 5.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.701 2.046 . . . . 0.0 115.982 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.32 -60.33 6.43 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.974 -1.079 . . . . 0.0 114.839 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.2 m -69.12 -20.37 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 119.568 -2.137 . . . . 0.0 113.737 -171.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -80.78 -24.74 38.4 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.206 -1.559 . . . . 0.0 112.961 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.25 8.1 mmt-85 -62.84 -38.51 91.07 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.632 -1.918 . . . . 0.0 111.968 167.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.77 -59.88 4.5 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.729 1.612 . . . . 0.0 107.314 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.98 -29.94 65.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.77 -39.52 73.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.576 1.08 . . . . 0.0 112.506 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 ptp -85.81 -17.43 35.75 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.693 -1.254 . . . . 0.0 112.378 -165.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.6 m-30 -88.38 -5.37 58.33 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.232 2.213 . . . . 0.0 112.666 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.58 87.95 2.56 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 172.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.08 114.43 16.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.457 1.103 . . . . 0.0 108.92 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.429 -1.48 0 C-N-CA 124.829 1.252 . . . . 0.0 109.074 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.48 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 19.9 mtpp -115.47 -162.39 0.83 Allowed 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 121.954 0.883 . . . . 0.0 108.632 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASN . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 86.0 m-20 -67.98 -51.86 42.51 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.612 -1.93 . . . . 0.0 110.418 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -54.74 -47.11 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 128.928 2.891 . . . . 0.0 113.904 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -62.06 -34.67 76.7 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.862 1.665 . . . . 0.0 112.637 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -74.08 -44.95 52.21 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 120.732 -1.23 . . . . 0.0 112.07 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' ASN . 5.5 t -53.1 -41.7 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.933 -2.354 . . . . 0.0 112.913 170.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -59.72 -53.57 56.41 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.036 2.134 . . . . 0.0 114.594 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.54 -37.17 86.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.88 -32.36 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.94 -1.725 . . . . 0.0 113.337 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.69 -54.12 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.006 2.122 . . . . 0.0 111.561 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -65.2 -31.88 73.27 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.477 1.511 . . . . 0.0 114.941 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 17' ' ' ILE . 2.1 t -65.86 -40.51 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 CA-C-O 122.379 1.085 . . . . 0.0 113.068 169.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.65 53.2 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 119.209 -2.182 . . . . 0.0 112.551 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 92.5 p -64.66 -27.68 69.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 119.7 -1.875 . . . . 0.0 114.355 170.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.528 HD11 HG13 ' A' ' 14' ' ' VAL . 1.2 mm -57.68 -46.94 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.254 1.022 . . . . 0.0 113.275 167.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.15 -40.52 81.58 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.192 -0.942 . . . . 0.0 111.991 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.4 -35.81 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.188 -1.57 . . . . 0.0 114.794 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -40.96 59.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.028 1.74 . . . . 0.0 113.549 168.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -90.67 7.95 36.84 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.4 t 52.88 41.97 31.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.504 2.322 . . . . 0.0 114.81 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -108.0 49.59 0.8 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.828 1.651 . . . . 0.0 109.748 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -70.94 -15.28 62.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.654 -1.904 . . . . 0.0 114.84 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.22 -33.75 54.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 167.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.72 -29.0 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.786 -1.196 . . . . 0.0 110.983 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.12 -41.81 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.548 1.539 . . . . 0.0 111.843 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.2 -2.44 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 130.695 3.598 . . . . 0.0 119.778 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.52 133.49 36.55 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.415 -2.053 . . . . 0.0 109.579 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -42.01 -63.48 0.73 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.316 2.646 . . . . 0.0 113.635 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.95 63.25 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -58.77 -25.6 63.22 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.86 -54.47 22.02 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.405 HG21 ' HG2' ' B' ' 51' ' ' GLN . 30.7 mt -54.14 -38.89 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.313 3.445 . . . . 0.0 113.947 171.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.41 72.76 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.773 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.292 2.9 t80 -60.2 -36.68 78.2 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 171.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.41 -43.88 84.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.54 -1.975 . . . . 0.0 112.266 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -80.27 -9.29 59.73 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.292 -1.505 . . . . 0.0 114.602 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.56 -63.24 1.11 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.866 0.841 . . . . 0.0 109.925 164.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 pt -83.18 -22.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.757 -1.214 . . . . 0.0 114.19 -166.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.04 31.87 6.73 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 120.575 -1.328 . . . . 0.0 116.09 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.275 2.3 t -69.44 121.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 117.908 0.854 . . . . 0.0 111.568 167.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.9 p -109.11 154.2 22.63 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.853 -172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.48 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 4.6 t60 -73.26 -83.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.817 -1.177 . . . . 0.0 112.909 161.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.46 52.08 0.72 Allowed 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.747 -1.221 . . . . 0.0 111.735 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 16.25 76.05 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.758 -1.214 . . . . 0.0 115.142 -175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -134.57 155.23 50.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.931 1.692 . . . . 0.0 107.29 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -73.45 148.76 42.93 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.956 -1.715 . . . . 0.0 114.218 -169.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.86 124.64 40.89 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 122.602 1.192 . . . . 0.0 113.949 -162.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.64 157.07 16.68 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.054 1.742 . . . . 0.0 111.937 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 34' ' ' ILE . 86.6 mt-30 -67.73 -44.8 76.72 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.753 -1.842 . . . . 0.0 115.736 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -72.87 -32.16 65.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.977 -1.702 . . . . 0.0 112.777 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 26.0 m -81.68 -20.56 39.28 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.728 1.611 . . . . 0.0 113.959 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -64.45 -46.16 84.31 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 123.635 1.683 . . . . 0.0 109.617 165.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.17 -34.37 77.39 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.56 -1.337 . . . . 0.0 112.337 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.344 12.9 ptpt -58.95 -52.35 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.313 43.0 pt -54.11 -38.2 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -89.31 -41.66 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -70.53 -56.78 5.74 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.655 -1.903 . . . . 0.0 113.406 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.34 15.2 pt-20 -86.63 12.21 11.12 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.091 1.885 . . . . 0.0 116.091 -168.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.4 mt -49.3 138.15 13.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.797 -1.19 . . . . 0.0 112.491 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 46.9 p -77.92 168.27 20.17 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.965 -1.709 . . . . 0.0 110.772 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.32 -42.19 95.1 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.162 -1.586 . . . . 0.0 111.774 173.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.33 -26.65 64.81 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.79 -39.27 76.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.456 -2.028 . . . . 0.0 111.803 169.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.7 -42.28 51.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.745 -1.847 . . . . 0.0 110.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -56.25 -35.08 67.0 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.234 1.014 . . . . 0.0 113.478 166.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.6 m -59.41 -45.12 92.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 118.915 0.779 . . . . 0.0 112.879 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.2 mt -66.74 -45.93 77.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.31 1.044 . . . . 0.0 112.527 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -50.18 -44.18 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.575 2.35 . . . . 0.0 113.781 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -61.0 -40.88 95.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.297 -1.502 . . . . 0.0 114.677 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -99.81 -29.46 12.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -166.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.26 75.3 0.92 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.219 -1.551 . . . . 0.0 109.722 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -60.51 -73.42 0.09 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -169.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.52 -35.42 73.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.673 -1.267 . . . . 0.0 112.351 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.58 -58.33 4.22 Favored Glycine 0 N--CA 1.43 -1.724 0 C-N-CA 124.692 1.139 . . . . 0.0 110.44 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.343 1.0 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.051 1.926 . . . . 0.0 111.419 -172.047 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.94 -54.13 13.74 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 122.767 2.53 . . . . 0.0 114.845 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.75 -58.85 9.75 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.899 -1.125 . . . . 0.0 115.424 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.26 -20.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.512 -2.758 . . . . 0.0 113.739 -169.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -72.93 -22.68 60.69 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.14 -2.225 . . . . 0.0 113.163 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -61.7 -48.16 82.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 115.95 -2.3 . . . . 0.0 112.526 162.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -65.52 -52.3 53.66 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.675 1.59 . . . . 0.0 110.817 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.99 -35.26 74.63 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.509 -1.995 . . . . 0.0 113.911 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.89 -37.91 58.35 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 118.955 -2.341 . . . . 0.0 111.632 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.3 ptp -80.38 -19.05 47.21 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 122.786 1.279 . . . . 0.0 114.406 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -85.21 -13.92 48.45 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.167 -1.583 . . . . 0.0 110.78 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -129.37 78.05 1.83 Allowed 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -91.71 117.96 30.23 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt . . . . . 0 N--CA 1.43 -1.433 0 O-C-N 120.951 -1.093 . . . . 0.0 108.866 -178.685 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 N--CA 1.429 -1.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -131.43 -163.27 1.31 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.522 1.529 . . . . 0.0 107.777 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -45.56 -52.46 10.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.199 2.999 . . . . 0.0 114.519 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -41.45 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.228 2.611 . . . . 0.0 113.328 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -66.07 -36.27 82.74 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.893 1.277 . . . . 0.0 113.701 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.9 m -74.71 -45.79 41.87 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.975 -1.703 . . . . 0.0 111.019 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -48.49 -36.5 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.139 1.776 . . . . 0.0 114.848 168.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -60.18 -60.1 4.36 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.027 2.131 . . . . 0.0 112.348 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.96 -30.63 71.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG12 HG11 ' A' ' 42' ' ' VAL . 55.3 mt -73.8 -29.92 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.942 -2.349 . . . . 0.0 113.12 173.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -56.61 -56.76 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.12 -2.238 . . . . 0.0 113.542 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.476 HG21 HG22 ' B' ' 42' ' ' VAL . 7.4 p -54.58 -46.47 73.75 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.99 1.716 . . . . 0.0 113.513 175.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.62 -38.16 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 125.791 1.636 . . . . 0.0 113.093 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.16 60.08 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 117.771 -3.081 . . . . 0.0 113.038 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 p -59.76 -30.9 69.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -52.8 -48.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.836 1.654 . . . . 0.0 113.622 165.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.59 -46.47 80.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.96 -37.51 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.032 -2.292 . . . . 0.0 114.833 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -45.9 39.32 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.137 1.775 . . . . 0.0 113.711 166.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -84.74 8.8 15.85 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t 61.5 31.44 18.97 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 126.932 2.093 . . . . 0.0 114.482 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -110.91 51.51 0.77 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.624 1.57 . . . . 0.0 110.092 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -1.9 38.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.902 -1.749 . . . . 0.0 113.295 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -55.51 -40.18 71.45 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.062 2.545 . . . . 0.0 114.298 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.72 -37.45 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.007 1.723 . . . . 0.0 110.516 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.43 -35.89 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 126.111 1.764 . . . . 0.0 111.752 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.4 tt0 -57.55 1.94 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.23 147.78 29.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.637 -2.539 . . . . 0.0 108.977 168.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -55.49 15.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.886 1.675 . . . . 0.0 114.103 171.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.21 -52.92 56.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -166.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -50.64 -32.97 20.56 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.741 2.016 . . . . 0.0 115.314 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.85 -44.26 32.97 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 124.975 1.31 . . . . 0.0 111.986 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.96 -39.38 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 128.23 2.612 . . . . 0.0 113.025 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.28 64.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.562 1.173 . . . . 0.0 110.059 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.276 24.7 t80 -46.79 -44.3 19.06 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.589 2.441 . . . . 0.0 117.589 161.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -39.18 72.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.399 -2.063 . . . . 0.0 113.731 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -82.81 -20.47 35.68 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.822 -1.799 . . . . 0.0 112.46 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.08 -42.22 73.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.309 1.444 . . . . 0.0 114.213 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.08 -20.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 177.403 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 46.65 4.97 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 117.208 1.643 . . . . 0.0 117.208 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 HD11 ' A' ' 40' ' ' ILE . 47.2 t -84.93 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 123.339 3.57 . . . . 0.0 107.356 164.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -116.06 160.26 20.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.118 0.961 . . . . 0.0 109.482 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.305 8.7 t60 -76.67 -98.48 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.644 -1.285 . . . . 0.0 112.652 168.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -95.1 54.08 1.63 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.288 -2.132 . . . . 0.0 109.897 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.09 7.46 84.37 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 114.646 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.57 147.1 42.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.402 1.081 . . . . 0.0 111.104 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.54 126.78 29.95 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.63 1.572 . . . . 0.0 111.855 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.97 126.14 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.335 -1.478 . . . . 0.0 113.627 -157.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -85.35 147.38 26.55 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.889 1.676 . . . . 0.0 111.683 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -53.33 -48.84 68.11 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.048 2.139 . . . . 0.0 116.439 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -77.09 -35.37 56.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.122 -1.611 . . . . 0.0 112.219 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -80.13 -13.57 59.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -67.52 -50.13 60.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.656 1.983 . . . . 0.0 109.792 164.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 HH11 ' HB3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -66.32 -30.85 71.34 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.847 1.259 . . . . 0.0 111.419 -176.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.434 13.1 ptpt -59.26 -63.97 1.11 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 160.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.313 30.8 pt -45.63 -42.16 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.63 -42.85 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 120.97 -1.081 . . . . 0.0 113.643 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -74.83 -47.12 32.18 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.866 1.667 . . . . 0.0 115.115 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.4 10.27 9.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -165.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.34 143.73 22.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.169 -1.582 . . . . 0.0 112.224 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 p -82.38 171.0 14.67 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.266 -2.146 . . . . 0.0 108.483 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.75 -44.33 73.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.708 -1.245 . . . . 0.0 112.863 171.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.54 -39.74 94.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.21 -38.61 83.88 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 126.645 1.978 . . . . 0.0 110.808 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.56 -42.68 41.92 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.916 2.086 . . . . 0.0 110.559 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -60.66 -30.86 70.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.906 -1.121 . . . . 0.0 113.376 167.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 m -63.09 -42.01 99.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.898 -1.127 . . . . 0.0 112.73 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.1 -44.63 83.77 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.695 -1.253 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.62 -44.5 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 120.272 -1.517 . . . . 0.0 114.883 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -55.16 -42.83 73.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.946 -1.721 . . . . 0.0 114.756 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.22 -34.51 11.61 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -119.84 51.84 1.15 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.488 -2.008 . . . . 0.0 110.552 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -39.52 -72.59 0.06 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.1 2.16 . . . . 0.0 116.532 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -71.32 -51.25 25.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.195 1.798 . . . . 0.0 112.737 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.37 93.82 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 118.477 -1.18 . . . . 0.0 114.942 -175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 1.0 OUTLIER -70.75 -45.81 64.12 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.122 -176.287 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.84 -54.07 3.52 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.417 2.371 . . . . 0.0 115.862 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.41 -60.33 7.21 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 114.848 0.699 . . . . 0.0 114.848 176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.16 -21.02 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 118.491 -2.77 . . . . 0.0 113.412 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -78.42 -23.8 46.49 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.693 -1.88 . . . . 0.0 113.632 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 mmm-85 -61.56 -40.6 95.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.478 1.49 . . . . 0.0 111.161 167.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.11 -50.68 53.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.842 1.657 . . . . 0.0 108.481 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.13 -46.69 87.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.004 -1.685 . . . . 0.0 111.298 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.99 -49.77 65.5 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.4 ptp -77.28 -20.31 55.26 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 121.124 -0.985 . . . . 0.0 113.563 -169.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.9 m-30 -88.44 -0.93 57.73 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.057 0.943 . . . . 0.0 111.979 -175.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.253 2.2 t -128.14 42.88 3.24 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 122.684 1.231 . . . . 0.0 108.033 167.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -83.22 118.05 23.36 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.975 -1.703 . . . . 0.0 108.89 160.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 N--CA 1.43 -1.455 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.741 -175.107 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 N--CA 1.43 -1.474 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -120.21 -153.78 0.55 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.425 -2.047 . . . . 0.0 107.05 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -61.1 -52.01 66.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.981 2.113 . . . . 0.0 115.828 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -52.9 -41.6 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.929 2.491 . . . . 0.0 115.586 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -65.63 -20.82 66.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.767 2.027 . . . . 0.0 112.642 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -78.88 -49.35 13.02 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.398 -1.439 . . . . 0.0 109.966 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.456 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.7 t -58.96 -37.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 119.009 -2.307 . . . . 0.0 114.063 176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -49.63 -62.63 1.45 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 129.395 3.078 . . . . 0.0 112.516 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.98 -27.97 68.54 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mt -80.42 -29.76 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.263 -2.148 . . . . 0.0 112.194 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.69 -41.63 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.608 1.963 . . . . 0.0 113.308 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' THR . . . . . 0.405 HG21 HG22 ' A' ' 42' ' ' VAL . 12.5 p -75.96 -38.45 57.5 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 121.763 0.792 . . . . 0.0 113.097 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.432 HG13 ' CD1' ' A' ' 17' ' ' ILE . 27.6 t -51.46 -48.44 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-O 124.223 1.963 . . . . 0.0 113.938 163.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.74 62.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.57 -1.331 . . . . 0.0 110.537 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -74.28 -18.51 60.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.955 -1.716 . . . . 0.0 113.376 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -62.46 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-N 120.217 1.371 . . . . 0.0 110.402 164.421 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.571 HD23 HG22 ' B' ' 17' ' ' ILE . 9.8 mt -65.55 -28.23 69.01 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.239 -2.163 . . . . 0.0 114.937 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.252 44.2 mt -77.26 -29.4 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 120.188 -1.57 . . . . 0.0 110.352 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.77 91.91 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.154 1.782 . . . . 0.0 114.134 170.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.539 ' CE2' HG23 ' B' ' 17' ' ' ILE . 31.3 m-85 -94.38 8.98 40.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 119.925 -1.734 . . . . 0.0 113.812 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t 70.59 43.18 0.79 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.774 1.23 . . . . 0.0 113.886 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -121.34 31.83 6.17 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.87 2.468 . . . . 0.0 110.978 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.313 0.0 OUTLIER -61.9 -1.86 0.74 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 175.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.49 -26.96 63.84 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.417 -1.427 . . . . 0.0 112.084 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.56 -39.33 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.06 1.744 . . . . 0.0 111.127 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 t -74.72 -27.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.124 -1.61 . . . . 0.0 112.763 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 8.0 tm-20 -72.14 -11.81 60.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.329 2.252 . . . . 0.0 115.014 -171.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.76 124.11 21.96 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.92 -1.112 . . . . 0.0 110.049 170.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -49.61 60.76 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.102 1.761 . . . . 0.0 113.596 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.96 66.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 117.41 -3.306 . . . . 0.0 118.716 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.43 -32.1 26.26 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.791 -1.818 . . . . 0.0 111.018 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.79 -52.84 63.37 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.104 1.761 . . . . 0.0 111.3 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.58 -43.86 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 130.182 3.393 . . . . 0.0 113.534 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.63 68.68 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 174.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.12 39.21 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.081 173.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.0 -46.34 85.4 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.688 -1.882 . . . . 0.0 112.756 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -81.04 -9.2 59.86 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.443 -2.036 . . . . 0.0 113.768 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -70.87 -49.92 40.82 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.691 -1.256 . . . . 0.0 111.916 168.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.518 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -90.18 -12.62 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.484 -1.385 . . . . 0.0 114.21 -176.106 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.97 43.28 6.04 Favored Glycine 0 N--CA 1.43 -1.756 0 N-CA-C 116.435 1.334 . . . . 0.0 116.435 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.518 HG23 HD11 ' B' ' 40' ' ' ILE . 17.4 t -96.68 127.57 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 119.353 1.577 . . . . 0.0 106.777 160.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -140.11 164.99 28.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -81.23 -67.81 0.75 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.93 0.871 . . . . 0.0 112.854 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -113.01 32.47 5.69 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.218 -1.551 . . . . 0.0 110.022 -170.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.05 15.72 60.96 Favored Glycine 0 N--CA 1.429 -1.776 0 O-C-N 119.788 -1.82 . . . . 0.0 115.511 -165.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -112.7 152.01 29.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.27 133.75 50.29 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.91 -1.744 . . . . 0.0 112.395 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -86.29 116.28 24.36 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.304 1.05 . . . . 0.0 109.757 -157.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.51 161.51 18.54 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -166.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.66 -42.21 78.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.396 -1.44 . . . . 0.0 114.577 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -71.59 -47.11 56.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.359 1.464 . . . . 0.0 111.931 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -70.33 -23.57 62.85 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.334 -2.104 . . . . 0.0 115.923 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.73 -51.9 67.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.773 -1.829 . . . . 0.0 112.147 163.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -65.85 -20.65 66.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.645 -1.284 . . . . 0.0 114.26 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER -68.81 -45.69 70.57 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.45 -2.031 . . . . 0.0 115.155 165.253 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.328 6.9 pt -57.12 -55.78 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 121.081 1.764 . . . . 0.0 112.741 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.46 -25.55 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -80.67 -49.13 11.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.18 11.4 9.95 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -160.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.64 146.34 25.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.471 1.508 . . . . 0.0 111.161 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -86.52 170.93 11.47 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.223 -1.548 . . . . 0.0 107.066 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -61.07 -40.78 94.98 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.252 -2.155 . . . . 0.0 112.43 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.41 -35.51 70.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.077 2.151 . . . . 0.0 115.305 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.31 -36.24 63.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.434 -1.416 . . . . 0.0 113.751 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -73.1 -44.83 59.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.745 -1.222 . . . . 0.0 109.935 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -52.66 -40.62 63.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 120.525 1.511 . . . . 0.0 114.048 164.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -59.7 -39.43 84.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 175.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.2 -45.6 66.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.353 -1.467 . . . . 0.0 112.991 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.23 -48.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.872 2.069 . . . . 0.0 113.099 171.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -59.44 -45.73 90.74 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.91 1.684 . . . . 0.0 114.692 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -100.21 -27.6 13.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.815 -1.178 . . . . 0.0 113.982 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.16 60.66 0.78 Allowed 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -53.47 -70.16 0.1 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.528 1.931 . . . . 0.0 114.989 -167.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -57.39 -56.51 20.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.775 1.63 . . . . 0.0 114.23 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.569 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -57.24 -50.77 62.0 Favored Glycine 0 N--CA 1.431 -1.672 0 C-N-CA 125.759 1.647 . . . . 0.0 115.394 -173.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.315 0.5 OUTLIER -78.43 -35.77 46.47 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.681 1.741 . . . . 0.0 111.823 -175.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -54.02 -55.24 29.16 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 122.759 2.527 . . . . 0.0 114.809 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.69 7.1 Favored Glycine 0 N--CA 1.43 -1.747 0 CA-C-O 122.837 1.243 . . . . 0.0 114.907 173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.569 HG22 ' O ' ' B' ' 76' ' ' GLY . 16.2 m -64.91 -26.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.722 -2.046 . . . . 0.0 115.759 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.04 -15.5 58.87 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.806 -1.809 . . . . 0.0 112.912 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -63.68 -49.42 73.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.492 -2.005 . . . . 0.0 111.084 160.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' TYR . . . . . 0.4 ' HA ' ' HE3' ' B' ' 86' ' ' MET . 7.6 m-85 -64.76 -59.76 3.87 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 126.558 1.943 . . . . 0.0 110.491 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -51.98 -36.38 49.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.841 -1.787 . . . . 0.0 114.956 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -77.37 -36.78 53.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.906 -1.121 . . . . 0.0 112.036 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 83' ' ' TYR . 12.4 ptp -75.02 -29.09 60.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.832 -1.793 . . . . 0.0 113.427 -173.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 21.6 m-85 -88.35 12.78 13.19 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.464 1.506 . . . . 0.0 112.623 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.453 0.2 OUTLIER -126.88 9.88 6.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.172 1.389 . . . . 0.0 109.505 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -96.16 106.42 18.61 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 167.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LYS . . . . . 0.453 ' HD3' ' H ' ' B' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.451 0 O-C-N 120.343 -1.473 . . . . 0.0 112.645 -159.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.46 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.585 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 12.9 mptt -111.21 -150.92 0.47 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.332 -1.48 . . . . 0.0 110.813 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -68.8 -52.14 33.36 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.602 -2.562 . . . . 0.0 112.956 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.02 -45.38 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.128 2.571 . . . . 0.0 113.166 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.16 -42.71 66.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.742 2.017 . . . . 0.0 115.129 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -83.49 -32.08 26.15 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 123.623 0.769 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.35 -38.28 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 O-C-N 119.333 -2.105 . . . . 0.0 113.06 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -66.56 -48.08 70.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.956 2.102 . . . . 0.0 113.528 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.96 -51.17 43.42 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.391 1.476 . . . . 0.0 112.034 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -77.43 -23.68 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.397 -1.439 . . . . 0.0 113.737 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.02 -62.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 118.475 -2.64 . . . . 0.0 112.178 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -59.11 -36.27 74.87 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.779 1.232 . . . . 0.0 112.628 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 17' ' ' ILE . 2.3 t -58.86 -42.86 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.76 1.624 . . . . 0.0 114.93 169.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.24 -38.73 68.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 118.03 -2.919 . . . . 0.0 110.459 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -25.3 67.43 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.586 HG21 HG21 ' B' ' 17' ' ' ILE . 7.2 mm -55.97 -50.76 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 120.249 1.386 . . . . 0.0 110.505 164.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD23 ' HB ' ' A' ' 26' ' ' ILE . 4.1 mp -57.97 -43.75 86.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 122.723 0.409 . . . . 0.0 111.743 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -76.93 -19.43 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 O-C-N 118.791 -2.443 . . . . 0.0 113.674 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -44.18 97.28 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.294 -2.754 . . . . 0.0 110.953 166.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.01 -2.56 44.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.216 1.806 . . . . 0.0 113.422 172.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 52.51 47.57 24.42 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -110.31 58.64 0.61 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.868 1.667 . . . . 0.0 110.875 168.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.351 0.0 OUTLIER -69.15 -11.17 60.56 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 178.391 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -35.69 26.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.149 2.58 . . . . 0.0 116.453 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.411 ' HB ' HD23 ' A' ' 18' ' ' LEU . 37.1 mt -75.1 -33.68 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.283 -1.511 . . . . 0.0 111.108 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.45 -34.88 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.54 -1.35 . . . . 0.0 111.229 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 41.6 tt0 -50.51 -13.75 0.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 129.765 3.226 . . . . 0.0 119.411 -177.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.48 133.33 32.58 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.598 -1.939 . . . . 0.0 109.014 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -54.49 -48.03 72.32 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.659 1.184 . . . . 0.0 113.38 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.72 -51.64 68.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.357 -1.464 . . . . 0.0 114.505 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.35 -34.05 60.29 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -71.03 -49.43 45.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.564 1.546 . . . . 0.0 112.288 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 51' ' ' GLN . 48.7 mt -50.17 -42.38 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 129.06 2.944 . . . . 0.0 114.587 168.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.88 31.63 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.22 -42.36 14.11 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.011 2.124 . . . . 0.0 114.262 169.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.22 -45.57 75.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 120.353 1.433 . . . . 0.0 114.252 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -76.12 -23.33 54.87 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.726 -1.859 . . . . 0.0 113.764 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.95 -47.1 72.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.353 -1.467 . . . . 0.0 112.899 171.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.427 HG21 HD13 ' B' ' 17' ' ' ILE . 33.8 pt -82.5 -19.98 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 O-C-N 120.731 -1.231 . . . . 0.0 112.578 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.15 24.77 13.87 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-O 117.968 -1.462 . . . . 0.0 116.365 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.61 125.43 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.948 3.874 . . . . 0.0 109.832 172.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -107.89 157.34 18.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.585 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.254 7.9 t60 -79.84 -96.73 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.244 -0.91 . . . . 0.0 112.847 169.235 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -91.58 50.1 1.67 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.757 -1.84 . . . . 0.0 110.199 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.34 -0.34 69.01 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.847 -1.158 . . . . 0.0 114.949 -170.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -125.89 169.33 12.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.972 -1.311 . . . . 0.0 110.449 -167.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -67.8 127.05 31.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.73 120.38 27.09 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.357 1.551 . . . . 0.0 111.594 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -100.0 175.59 5.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.295 1.438 . . . . 0.0 112.298 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 34' ' ' ILE . 48.7 tt0 -72.91 -46.63 51.53 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.053 -1.654 . . . . 0.0 113.707 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -66.33 -43.92 84.76 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.205 1.402 . . . . 0.0 111.912 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -74.14 -18.33 60.8 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.506 1.522 . . . . 0.0 114.137 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -70.37 -46.43 64.09 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 123.669 1.7 . . . . 0.0 110.676 169.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.503 HH11 ' HB2' ' A' ' 55' ' ' ARG . 2.3 mtp-105 -63.1 -35.4 80.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.272 -2.142 . . . . 0.0 112.166 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -25.1 62.97 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 174.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.36 40.4 pt -68.0 -45.33 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 121.1 -1.0 . . . . 0.0 113.54 168.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.72 -43.51 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -78.51 -55.23 5.37 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -167.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.24 11.76 2.7 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.003 2.224 . . . . 0.0 117.003 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.11 148.99 7.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 126.129 1.771 . . . . 0.0 114.7 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.4 p -89.91 172.87 8.57 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.42 -1.425 . . . . 0.0 109.439 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -58.57 -45.24 89.43 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.228 -1.545 . . . . 0.0 112.331 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.89 -35.22 77.69 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.53 -43.52 89.75 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.42 1.105 . . . . 0.0 112.267 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -72.84 -47.25 47.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.693 -1.254 . . . . 0.0 110.195 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.98 -37.98 55.01 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.037 1.335 . . . . 0.0 113.288 167.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.7 m -60.46 -44.28 96.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 112.501 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 mt -71.24 -38.99 71.93 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.717 -1.239 . . . . 0.0 112.964 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -56.12 -47.66 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.371 1.469 . . . . 0.0 112.906 170.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.39 -40.5 94.56 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.54 -29.9 17.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.615 -1.303 . . . . 0.0 113.512 -174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.48 56.57 1.36 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -50.62 -58.46 5.78 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.332 -2.105 . . . . 0.0 114.596 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 -46.42 81.78 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 124.023 1.868 . . . . 0.0 113.92 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.25 -50.1 6.98 Favored Glycine 0 N--CA 1.43 -1.751 0 O-C-N 120.863 -1.148 . . . . 0.0 113.57 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.265 1.6 t80 -75.7 -32.62 60.16 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.084 -1.245 . . . . 0.0 110.746 -173.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CD ' HH12 ' A' ' 82' ' ' ARG . 11.1 mm-40 -52.62 -50.91 62.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.073 2.215 . . . . 0.0 114.096 167.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.48 -70.4 1.02 Allowed Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.369 -1.457 . . . . 0.0 114.727 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -67.68 -21.72 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.068 -2.43 . . . . 0.0 115.389 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -80.44 -21.53 42.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 120.607 1.548 . . . . 0.0 112.578 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.417 HH12 ' CD ' ' A' ' 78' ' ' GLU . 80.2 mmt-85 -62.61 -37.35 85.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 115.911 -2.316 . . . . 0.0 113.248 163.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.48 -51.81 13.76 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.226 1.41 . . . . 0.0 107.839 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.65 -41.31 97.33 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.697 -1.877 . . . . 0.0 111.967 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.62 -35.94 75.7 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.583 -1.948 . . . . 0.0 114.061 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -72.66 -29.61 63.58 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.196 -1.565 . . . . 0.0 113.824 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 22.1 m-85 -85.67 -7.82 58.58 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.575 1.15 . . . . 0.0 110.132 -175.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.28 5.8 t -147.06 55.53 1.11 Allowed 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.709 1.242 . . . . 0.0 110.605 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -78.83 116.33 19.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 151.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt . . . . . 0 N--CA 1.43 -1.464 0 O-C-N 120.51 -1.368 . . . . 0.0 111.521 -175.22 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.555 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 14.2 mptt -122.86 -140.68 0.32 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.069 -2.567 . . . . 0.0 104.069 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.41 -55.05 6.88 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 118.648 -2.532 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tt -53.82 -40.47 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 126.664 1.986 . . . . 0.0 114.887 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -68.23 -22.03 64.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.856 1.662 . . . . 0.0 115.102 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -87.31 -34.48 18.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.635 1.207 . . . . 0.0 111.764 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.79 -38.85 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 124.371 1.069 . . . . 0.0 108.722 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -51.56 -61.13 2.44 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 130.976 3.711 . . . . 0.0 112.603 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.31 -31.55 63.8 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.56 -26.18 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.232 -1.542 . . . . 0.0 110.681 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.543 HG23 HG21 ' B' ' 80' ' ' VAL . 6.3 mt -60.58 -43.21 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 127.142 2.177 . . . . 0.0 113.564 173.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -76.21 -40.83 51.25 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.087 0.47 . . . . 0.0 112.195 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -50.4 -44.03 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.462 1.505 . . . . 0.0 113.625 161.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -29.91 65.01 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.53 0.681 . . . . 0.0 111.617 -175.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.8 p -73.95 -18.28 60.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.266 -2.146 . . . . 0.0 115.597 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 14' ' ' VAL . 4.5 mm -62.4 -48.78 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.574 1.654 . . . . 0.0 110.927 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.403 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 5.2 mp -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.808 -1.182 . . . . 0.0 113.093 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.276 21.9 mt -72.94 -36.67 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 O-C-N 120.879 -1.138 . . . . 0.0 112.261 171.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.51 76.78 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.97 1.708 . . . . 0.0 114.069 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -92.93 1.03 57.51 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.247 -1.533 . . . . 0.0 115.051 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t 71.83 39.39 0.85 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.869 1.318 . . . . 0.0 113.453 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -113.8 38.66 2.89 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.912 2.085 . . . . 0.0 109.476 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -6.33 8.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.69 1.596 . . . . 0.0 114.603 169.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.25 -39.51 90.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.349 2.26 . . . . 0.0 112.31 165.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.3 mt -69.4 -34.91 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.871 1.668 . . . . 0.0 110.244 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -72.66 -32.47 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 O-C-N 120.39 -1.443 . . . . 0.0 113.536 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -24.76 67.02 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.765 2.426 . . . . 0.0 117.398 -166.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.9 133.7 50.62 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 111.309 169.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -48.03 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.717 1.607 . . . . 0.0 112.733 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.7 62.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.273 -2.767 . . . . 0.0 117.031 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -82.65 -35.0 27.28 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.19 -1.569 . . . . 0.0 109.618 171.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -66.89 -49.53 65.32 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.102 2.561 . . . . 0.0 111.109 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.77 -44.3 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 129.321 3.048 . . . . 0.0 112.423 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.88 64.02 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.831 -1.793 . . . . 0.0 111.935 176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -77.44 -33.08 54.9 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.773 -1.204 . . . . 0.0 110.764 170.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.22 -47.08 75.83 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.187 -2.196 . . . . 0.0 111.346 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.95 -15.52 59.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.21 -45.46 66.54 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 120.891 1.678 . . . . 0.0 112.005 165.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.4 pt -88.58 -25.0 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.26 50.01 5.63 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 118.097 1.999 . . . . 0.0 118.097 -173.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -90.33 129.45 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 157.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -119.54 163.72 16.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.714 0.806 . . . . 0.0 110.961 -170.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.555 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.271 20.7 t60 -79.66 -98.53 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 161.294 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -95.92 59.41 2.0 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.013 -2.304 . . . . 0.0 109.62 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.34 6.53 34.29 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 120.551 -1.343 . . . . 0.0 114.112 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -104.56 148.12 26.85 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.831 2.815 . . . . 0.0 105.47 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.1 135.4 53.54 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.171 -0.956 . . . . 0.0 109.383 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.24 120.86 31.75 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.201 -1.562 . . . . 0.0 110.987 -154.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -82.44 162.0 22.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.555 -0.716 . . . . 0.0 111.571 -167.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.35 -44.76 90.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.238 -1.538 . . . . 0.0 113.341 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -65.55 -47.74 74.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.9 0.88 . . . . 0.0 112.313 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 4.7 m -71.28 -21.93 62.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.618 1.567 . . . . 0.0 115.129 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.23 -55.98 13.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.251 1.5 . . . . 0.0 112.031 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.8 -30.66 70.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.502 1.521 . . . . 0.0 112.807 -175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -66.11 -47.97 72.41 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.082 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.347 31.3 pt -59.01 -48.05 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 120.368 1.44 . . . . 0.0 114.133 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.18 -33.32 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -83.22 -44.87 14.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.38 10.56 8.43 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -166.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.87 149.64 26.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.736 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -89.94 170.93 9.95 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.278 -1.514 . . . . 0.0 108.124 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -57.57 -41.97 82.14 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.533 -1.98 . . . . 0.0 113.641 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.78 -36.82 82.18 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.67 -31.7 68.71 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.655 -1.278 . . . . 0.0 112.615 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -73.62 -54.48 8.05 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.974 1.31 . . . . 0.0 108.937 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.64 -41.59 6.77 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.651 1.581 . . . . 0.0 114.373 168.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -58.61 -43.67 89.7 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.011 0.91 . . . . 0.0 113.225 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.14 -38.71 66.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.08 -1.638 . . . . 0.0 112.576 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -56.64 -47.28 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.058 1.743 . . . . 0.0 113.196 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -65.48 -43.43 90.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 124.928 1.291 . . . . 0.0 114.115 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.78 -36.98 12.01 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.08 58.59 0.61 Allowed 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.574 -1.954 . . . . 0.0 109.517 -172.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -52.68 -66.78 0.33 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.404 1.882 . . . . 0.0 115.313 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -49.77 -61.76 1.94 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.659 1.584 . . . . 0.0 114.864 173.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.23 -57.1 20.04 Favored Glycine 0 N--CA 1.43 -1.729 0 C-N-CA 125.594 1.569 . . . . 0.0 114.974 -170.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' B' ' 80' ' ' VAL . 2.8 t80 -77.15 -29.75 54.7 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 118.455 1.128 . . . . 0.0 111.203 -169.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -53.63 -56.88 13.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.435 1.925 . . . . 0.0 112.846 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.03 -61.0 7.85 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 115.226 0.851 . . . . 0.0 115.226 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.543 HG21 HG23 ' B' ' 12' ' ' ILE . 18.1 m -66.65 -28.18 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 120.221 -1.753 . . . . 0.0 115.046 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -76.34 -14.87 60.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.677 -1.889 . . . . 0.0 112.685 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -64.09 -49.72 71.13 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.287 -2.133 . . . . 0.0 111.252 160.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.41 -61.17 2.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.953 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 69.7 mt -55.57 -34.65 64.97 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.499 1.92 . . . . 0.0 113.81 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.4 -41.8 46.57 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 120.51 1.504 . . . . 0.0 111.779 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 14.3 ptp -71.73 -31.64 66.92 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.897 -1.752 . . . . 0.0 113.122 -172.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.26 -2.34 52.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.141 1.377 . . . . 0.0 111.766 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.354 2.4 t -144.26 42.74 1.41 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.391 1.567 . . . . 0.0 110.692 170.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -92.17 120.13 32.47 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 154.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.413 0 O-C-N 121.674 -0.641 . . . . 0.0 109.82 -164.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.1 m120 . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 121.932 0.872 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -131.99 -142.64 0.22 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 176.311 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -92.66 -46.29 7.66 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.396 -2.065 . . . . 0.0 109.96 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 tt -40.76 -49.44 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 128.762 2.825 . . . . 0.0 116.079 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -54.85 -33.24 61.56 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.733 3.213 . . . . 0.0 113.649 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -95.62 -31.19 13.39 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.721 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 8' ' ' VAL . 6.5 t -57.96 -42.13 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 116.687 -3.758 . . . . 0.0 112.334 169.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.15 8.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 130.451 3.5 . . . . 0.0 113.376 -178.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.93 -23.34 65.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.42 -29.27 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 118.539 -2.601 . . . . 0.0 110.84 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -60.95 -44.35 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.051 2.14 . . . . 0.0 112.089 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 p -60.55 -51.2 70.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 123.116 0.566 . . . . 0.0 111.967 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG13 HD11 ' B' ' 17' ' ' ILE . 3.0 t -48.5 -53.08 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 165.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.47 78.21 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.922 1.82 . . . . 0.0 110.082 -172.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.272 60.4 p -71.21 -12.32 61.4 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 117.65 -3.156 . . . . 0.0 116.113 171.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' B' ' 17' ' ' ILE . 25.5 mm -69.07 -43.75 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-O 123.737 1.732 . . . . 0.0 111.205 164.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.6 mp -69.96 -28.39 65.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 119.247 -2.158 . . . . 0.0 112.079 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.27 8.7 mt -74.85 -42.53 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.868 -1.145 . . . . 0.0 110.382 171.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -37.43 -55.38 1.06 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.035 2.534 . . . . 0.0 115.507 168.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -83.62 3.8 31.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.537 1.935 . . . . 0.0 114.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 3.3 t 60.09 44.09 13.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.158 1.783 . . . . 0.0 115.352 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -115.24 35.06 4.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.843 2.457 . . . . 0.0 110.631 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -61.26 4.98 0.07 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 129.379 3.072 . . . . 0.0 117.6 176.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -78.78 -33.93 45.97 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 127.613 2.365 . . . . 0.0 111.181 173.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.47 -46.88 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-O 122.967 1.365 . . . . 0.0 111.142 171.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.97 -24.6 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.518 1.527 . . . . 0.0 110.713 -172.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 33.3 tt0 -59.68 -23.31 63.0 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -108.59 130.97 55.3 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.399 -2.063 . . . . 0.0 110.168 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -47.48 -55.26 9.44 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.394 2.278 . . . . 0.0 113.613 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.71 -53.24 10.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.625 -2.547 . . . . 0.0 117.235 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -38.97 -42.58 0.88 Allowed 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -63.79 -48.41 77.02 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.693 1.997 . . . . 0.0 113.921 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.25 -43.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 128.756 2.822 . . . . 0.0 114.127 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.63 99.36 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.282 -2.136 . . . . 0.0 113.027 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CZ ' HD21 ' A' ' 18' ' ' LEU 0.301 25.7 t80 -59.1 -41.02 87.1 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.215 2.206 . . . . 0.0 112.909 170.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.05 -48.33 73.61 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.292 -1.505 . . . . 0.0 113.717 169.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -66.98 -36.99 83.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.505 -1.372 . . . . 0.0 113.868 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -55.03 -56.4 20.21 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.829 -1.794 . . . . 0.0 115.376 170.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 pt -83.86 -21.98 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.25 48.53 3.27 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 117.407 1.723 . . . . 0.0 117.407 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.21 132.22 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 120.235 2.017 . . . . 0.0 108.705 166.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -127.67 140.41 52.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.757 -1.215 . . . . 0.0 109.7 -171.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.485 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.275 36.7 t60 -74.84 -92.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.152 -1.592 . . . . 0.0 112.426 169.554 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -92.19 46.26 1.25 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.758 -1.839 . . . . 0.0 109.272 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.7 26.11 66.4 Favored Glycine 0 N--CA 1.431 -1.686 0 O-C-N 118.509 -2.619 . . . . 0.0 117.756 -168.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -131.12 166.46 21.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.452 1.501 . . . . 0.0 107.618 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -72.53 157.8 36.92 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.851 -1.781 . . . . 0.0 110.967 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.71 126.65 48.6 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.116 -1.615 . . . . 0.0 109.189 -170.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -93.23 164.88 13.07 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -169.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -72.54 -43.15 63.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 119.91 -1.744 . . . . 0.0 113.011 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -69.13 -44.96 71.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.376 1.07 . . . . 0.0 113.827 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.1 m -68.1 -24.31 65.02 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.68 -45.35 68.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.02 -2.3 . . . . 0.0 109.897 168.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -63.78 -39.73 94.96 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.253 -1.529 . . . . 0.0 113.706 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.267 26.3 pttt -56.96 -41.29 78.05 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.041 -1.662 . . . . 0.0 115.336 169.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.347 44.2 pt -63.08 -42.55 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 O-C-N 119.772 -1.83 . . . . 0.0 114.722 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.06 -44.05 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -75.81 -53.89 7.78 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.432 8.9 pt-20 -85.75 15.52 4.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.366 2.358 . . . . 0.0 117.366 -168.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -48.48 157.94 0.31 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.161 -1.587 . . . . 0.0 114.399 170.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -83.03 171.54 13.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.871 -1.768 . . . . 0.0 109.291 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -63.82 -48.99 74.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.869 -2.395 . . . . 0.0 113.514 166.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.38 -40.06 73.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.834 1.253 . . . . 0.0 113.772 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.8 -44.03 38.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -85.09 -27.16 26.48 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.341 -1.475 . . . . 0.0 108.614 -172.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.29 -34.6 59.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 107.887 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -60.19 -52.52 64.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.601 1.16 . . . . 0.0 113.27 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.71 -42.62 65.01 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 166.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.76 -44.78 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.216 -2.177 . . . . 0.0 112.575 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -57.69 -30.27 65.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -112.17 -20.76 11.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -122.91 55.44 1.19 Allowed 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.947 -2.345 . . . . 0.0 106.95 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -53.14 -68.09 0.2 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 123.101 1.429 . . . . 0.0 114.848 -160.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.06 -40.75 78.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.35 -51.92 34.59 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 125.478 1.514 . . . . 0.0 114.001 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.8 -34.58 62.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.447 1.123 . . . . 0.0 110.13 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.39 -57.38 3.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.152 -2.217 . . . . 0.0 113.671 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.18 -63.5 4.5 Favored Glycine 0 N--CA 1.431 -1.681 0 O-C-N 120.013 -1.679 . . . . 0.0 114.212 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.97 -24.48 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.51 -2.17 . . . . 0.0 113.731 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.43 -7.24 59.03 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.891 1.678 . . . . 0.0 112.6 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -66.45 -54.89 19.0 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 117.59 -3.194 . . . . 0.0 111.446 153.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.1 m-85 -49.18 -51.95 29.54 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.102 2.161 . . . . 0.0 113.299 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.67 -29.16 64.29 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.093 -2.254 . . . . 0.0 111.676 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.31 -61.07 2.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.255 1.022 . . . . 0.0 111.094 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.29 11.5 ptp -55.78 -50.1 71.38 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -174.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 8.2 m-85 -54.43 -13.53 0.96 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 170.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 3.5 t -128.94 39.96 3.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.395 -1.44 . . . . 0.0 109.564 168.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -82.2 126.06 31.64 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 149.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt . . . . . 0 N--CA 1.431 -1.406 0 O-C-N 121.431 -0.793 . . . . 0.0 108.919 -175.823 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.55 -157.2 0.78 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -74.45 -29.33 61.43 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.577 -1.952 . . . . 0.0 114.316 -170.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.08 -39.92 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.578 1.951 . . . . 0.0 108.674 -165.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.85 -35.41 57.45 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.351 2.661 . . . . 0.0 112.834 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.411 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -69.87 -55.85 8.64 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.383 1.073 . . . . 0.0 109.53 178.381 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.62 -40.67 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.144 1.378 . . . . 0.0 112.567 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -50.74 -64.89 0.67 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.852 3.661 . . . . 0.0 114.481 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.298 14.0 pt-20 -63.73 -34.88 78.86 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.38 -26.98 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 119.112 -2.242 . . . . 0.0 113.465 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.37 -57.87 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.341 2.656 . . . . 0.0 112.8 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -59.8 -30.72 69.1 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 128.632 2.773 . . . . 0.0 113.851 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.79 -41.19 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 168.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -36.98 54.78 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 118.506 -2.622 . . . . 0.0 110.612 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.291 86.1 p -61.24 -29.2 69.69 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 169.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 17' ' ' ILE . 24.2 mm -44.93 -56.06 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-N 121.668 2.031 . . . . 0.0 114.222 156.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 23.3 mt -61.88 -41.43 97.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mt -71.73 -22.49 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.044 -2.285 . . . . 0.0 114.361 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.69 76.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.164 -2.21 . . . . 0.0 111.164 169.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -69.68 -30.71 68.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.412 -0.805 . . . . 0.0 113.146 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.308 5.0 t 94.85 44.06 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.389 2.275 . . . . 0.0 111.363 170.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -115.68 58.71 0.73 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.043 2.137 . . . . 0.0 111.067 169.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -64.86 -11.04 33.13 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 177.055 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -39.26 16.07 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.551 2.34 . . . . 0.0 116.783 166.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.12 -34.17 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 119.378 -2.076 . . . . 0.0 111.673 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.6 -35.07 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.087 1.355 . . . . 0.0 110.081 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 79.2 tt0 -54.93 -20.7 9.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.994 2.918 . . . . 0.0 116.657 -177.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -129.91 128.0 41.28 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.259 -2.15 . . . . 0.0 107.662 173.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -50.25 -45.81 54.45 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.226 1.41 . . . . 0.0 113.395 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -54.93 39.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -53.67 -32.09 50.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -68.97 -51.43 39.56 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.19 1.396 . . . . 0.0 113.163 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' B' ' 51' ' ' GLN . 52.8 mt -54.89 -38.62 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 129.229 3.012 . . . . 0.0 113.2 172.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.1 -57.59 12.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.455 1.502 . . . . 0.0 110.746 173.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 28.3 t80 -47.55 -42.42 23.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.565 1.546 . . . . 0.0 114.849 166.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -33.47 74.19 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.434 -2.041 . . . . 0.0 114.395 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -76.97 -28.1 55.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.986 -1.696 . . . . 0.0 113.246 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.59 -54.81 12.25 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.182 -1.574 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 16.5 pt -80.07 -18.7 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 111.362 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.79 10.45 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 118.966 2.346 . . . . 0.0 118.966 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.82 107.22 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 CA-C-N 123.167 3.483 . . . . 0.0 108.992 167.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.3 p -109.84 113.61 26.48 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -65.54 -62.79 1.32 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -170.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.01 44.06 1.19 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.789 -1.819 . . . . 0.0 110.776 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.62 9.81 82.54 Favored Glycine 0 N--CA 1.431 -1.654 0 N-CA-C 114.854 0.702 . . . . 0.0 114.854 -169.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -117.45 144.06 45.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.424 1.49 . . . . 0.0 108.424 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -77.85 162.41 26.89 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.112 -1.618 . . . . 0.0 112.213 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.6 128.96 38.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 114.13 -167.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -92.52 160.59 14.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.088 1.755 . . . . 0.0 108.827 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' B' ' 34' ' ' ILE . 26.3 mt-30 -70.12 -42.88 72.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.985 -1.697 . . . . 0.0 114.506 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -66.33 -40.36 89.83 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -73.22 -25.93 60.94 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.64 1.576 . . . . 0.0 111.858 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -71.8 -43.14 66.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.171 0.988 . . . . 0.0 109.41 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -68.12 -34.06 75.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.181 -1.575 . . . . 0.0 112.248 -176.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.272 28.4 pttt -65.88 -45.33 82.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 171.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 7' ' ' THR . 28.7 pt -55.15 -37.22 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 m -83.28 -38.51 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -89.33 -40.98 12.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.3 9.85 27.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.198 1.817 . . . . 0.0 112.938 -163.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.91 152.54 7.29 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.14 2.576 . . . . 0.0 112.427 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.7 p -82.01 171.77 14.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -69.3 -41.37 76.88 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.472 -1.392 . . . . 0.0 111.352 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.62 -47.56 40.07 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 127.567 2.347 . . . . 0.0 115.129 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.05 -34.6 70.27 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.376 1.56 . . . . 0.0 113.978 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -83.34 -42.13 17.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.163 -1.586 . . . . 0.0 110.196 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -55.0 -39.14 68.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.307 -1.496 . . . . 0.0 113.277 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.6 m -58.71 -40.53 83.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.127 1.442 . . . . 0.0 114.051 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.25 -38.91 65.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.163 -2.211 . . . . 0.0 110.319 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.45 -43.68 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.941 -1.724 . . . . 0.0 114.851 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -71.81 -36.55 70.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.64 -1.912 . . . . 0.0 116.145 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -85.6 -35.39 21.03 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.577 -1.327 . . . . 0.0 114.249 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.32 66.26 0.88 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.013 -2.304 . . . . 0.0 110.249 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -53.76 -65.74 0.51 Allowed 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.554 1.168 . . . . 0.0 113.163 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.82 -49.76 75.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.634 1.573 . . . . 0.0 113.561 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.05 23.3 Favored Glycine 0 N--CA 1.43 -1.713 0 O-C-N 120.275 -1.516 . . . . 0.0 115.612 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.287 4.5 t80 -68.92 -40.58 79.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 119.252 1.526 . . . . 0.0 109.17 -173.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -44.56 -56.51 4.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.927 2.149 . . . . 0.0 116.03 167.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -70.02 1.13 Allowed Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 115.688 1.035 . . . . 0.0 115.688 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -28.58 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.007 -2.467 . . . . 0.0 114.355 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . 0.252 24.5 t80 -64.77 -41.27 95.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 122.577 2.444 . . . . 0.0 115.192 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -45.16 -51.52 10.37 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 162.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -71.14 -46.9 60.6 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.621 -0.675 . . . . 0.0 110.449 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.72 -47.67 85.24 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.407 1.483 . . . . 0.0 112.119 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.04 -59.39 3.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.188 1.358 . . . . 0.0 114.503 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.376 9.8 ptp -44.37 -35.83 2.56 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 120.231 3.419 . . . . 0.0 120.231 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-85 -85.12 -3.76 58.91 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.768 -1.832 . . . . 0.0 112.75 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.303 0.5 OUTLIER -130.85 44.27 2.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.771 1.748 . . . . 0.0 107.472 171.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.22 111.75 24.06 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 150.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt . . . . . 0 N--CA 1.43 -1.463 0 C-N-CA 123.755 0.822 . . . . 0.0 110.376 172.213 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 N--CA 1.431 -1.42 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.15 115.59 17.25 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.358 1.463 . . . . 0.0 108.563 -177.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -80.85 -41.34 23.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.895 -1.128 . . . . 0.0 109.283 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -45.34 -47.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.078 2.151 . . . . 0.0 115.566 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -68.13 -10.82 57.03 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.559 1.944 . . . . 0.0 113.707 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -46.65 8.36 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.638 1.575 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 8' ' ' VAL . 3.0 t -59.79 -47.22 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.087 1.755 . . . . 0.0 109.469 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -39.67 -68.22 0.18 Allowed 'General case' 0 N--CA 1.429 -1.511 1 C-N-CA 132.493 4.317 . . . . 0.0 114.529 169.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -67.38 -26.64 66.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.484 -2.01 . . . . 0.0 114.025 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.09 -35.67 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.6 -1.938 . . . . 0.0 111.077 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mt -55.49 -33.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 129.301 3.041 . . . . 0.0 116.318 170.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -81.95 -31.25 31.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.282 -0.887 . . . . 0.0 110.438 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -61.83 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.417 2.287 . . . . 0.0 114.009 164.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.0 97.78 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.337 -2.102 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 p -68.29 -13.63 62.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.558 HG21 HG21 ' B' ' 17' ' ' ILE . 50.0 mm -62.48 -53.99 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.67 -1.269 . . . . 0.0 110.898 163.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.14 -33.93 75.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.778 -1.201 . . . . 0.0 112.823 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.0 mt -79.29 -20.91 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.901 -1.124 . . . . 0.0 112.576 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.7 -40.44 96.79 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.486 -1.384 . . . . 0.0 110.999 164.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.07 3.27 52.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.337 1.455 . . . . 0.0 113.477 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 59.46 32.47 21.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.51 2.324 . . . . 0.0 116.408 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -103.64 39.43 1.6 Allowed 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 127.562 2.345 . . . . 0.0 112.083 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.366 0.0 OUTLIER -61.71 -17.47 55.85 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -37.24 -43.23 0.51 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.258 2.223 . . . . 0.0 116.651 165.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.22 -49.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.906 1.682 . . . . 0.0 112.329 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -61.13 -39.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 126.916 2.086 . . . . 0.0 111.879 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -63.11 -18.77 63.78 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.485 2.314 . . . . 0.0 116.131 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -114.09 115.12 27.04 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.253 -2.154 . . . . 0.0 110.297 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 88' ' ' THR . 6.7 ttp-105 -33.66 -63.86 0.24 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 129.355 3.062 . . . . 0.0 114.531 172.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.17 -15.0 59.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 118.417 2.747 . . . . 0.0 118.417 -175.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -86.34 -36.53 19.19 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -56.6 -53.67 54.96 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.549 2.34 . . . . 0.0 112.484 170.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 54' ' ' PHE . 40.3 mt -53.44 -42.7 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.284 2.233 . . . . 0.0 115.455 172.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.99 -25.18 65.29 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.73 -1.856 . . . . 0.0 115.204 172.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -73.93 -41.58 61.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 109.877 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.92 -39.36 71.55 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.905 1.682 . . . . 0.0 113.462 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -77.42 -14.19 59.76 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.954 -1.716 . . . . 0.0 115.431 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -78.01 -53.45 7.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 120.079 1.309 . . . . 0.0 112.055 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -6.8 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.062 -1.024 . . . . 0.0 112.705 -173.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.28 49.11 5.67 Favored Glycine 0 N--CA 1.43 -1.708 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.11 109.79 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 119.507 1.653 . . . . 0.0 108.827 172.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -104.04 132.09 50.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.445 -0.784 . . . . 0.0 110.73 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.276 23.5 t-160 -71.56 -95.07 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.695 -1.253 . . . . 0.0 113.635 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -88.06 47.59 1.52 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.554 -1.966 . . . . 0.0 111.313 -173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.68 6.42 77.23 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -122.54 152.88 39.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.79 146.01 34.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.376 1.444 . . . . 0.0 110.269 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.12 134.79 34.24 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.093 -1.629 . . . . 0.0 111.803 -151.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.01 157.67 17.14 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.732 -1.23 . . . . 0.0 111.548 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.37 -41.22 94.02 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.444 -1.41 . . . . 0.0 113.986 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -67.98 -53.49 25.7 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.573 1.149 . . . . 0.0 113.08 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.6 m -59.29 -24.92 63.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD2' HD11 ' A' ' 34' ' ' ILE . 52.3 t80 -60.22 -48.95 79.55 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.958 1.837 . . . . 0.0 112.723 168.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -68.06 -30.05 69.16 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.725 -1.234 . . . . 0.0 112.317 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -68.92 -45.22 71.4 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.62 -1.3 . . . . 0.0 113.825 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 24.1 pt -58.76 -48.37 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 119.69 -1.881 . . . . 0.0 113.296 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.81 -31.49 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -88.0 -51.81 5.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 6.5 pt-20 -91.53 11.11 25.18 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 119.523 -1.985 . . . . 0.0 114.741 -164.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.3 mt -37.75 145.62 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.505 -1.372 . . . . 0.0 114.024 160.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.3 p -75.37 174.23 9.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.758 -1.839 . . . . 0.0 110.796 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -65.01 -40.33 94.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.854 -1.778 . . . . 0.0 110.964 171.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -57.37 -50.29 73.46 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -58.36 -34.7 70.97 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.964 1.705 . . . . 0.0 114.968 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.45 -46.32 49.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.4 -31.26 71.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.257 -2.152 . . . . 0.0 113.074 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.0 m -61.09 -41.23 96.29 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.593 1.557 . . . . 0.0 113.672 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.55 -32.15 62.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.16 -1.588 . . . . 0.0 111.639 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.21 -28.24 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.186 1.795 . . . . 0.0 113.891 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -66.63 -48.8 68.29 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.834 -1.791 . . . . 0.0 114.554 172.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -89.93 -53.52 4.45 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -174.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -86.89 62.1 7.2 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.809 2.844 . . . . 0.0 112.567 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -57.56 -64.84 0.76 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.907 1.283 . . . . 0.0 114.048 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.98 -55.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.048 1.739 . . . . 0.0 112.769 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.74 -57.42 16.27 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -174.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.273 0.5 OUTLIER -78.64 -30.12 46.23 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 119.171 1.486 . . . . 0.0 110.606 -169.272 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.27 -50.04 68.18 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.221 2.282 . . . . 0.0 113.018 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.52 -70.95 0.85 Allowed Glycine 0 N--CA 1.431 -1.689 0 O-C-N 120.107 -1.62 . . . . 0.0 114.267 170.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.18 -19.29 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.252 -2.322 . . . . 0.0 115.241 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -83.04 -15.86 49.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.022 -1.674 . . . . 0.0 112.814 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -70.01 -37.74 75.74 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 123.408 2.822 . . . . 0.0 111.74 163.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.26 -62.24 1.66 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.159 2.184 . . . . 0.0 107.424 -174.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.0 mt -56.36 -28.85 60.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.06 -41.64 70.48 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.102 -1.624 . . . . 0.0 113.613 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -86.05 -23.3 26.81 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.59 -1.319 . . . . 0.0 114.376 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.4 m-30 -78.26 -1.02 30.98 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.762 -1.211 . . . . 0.0 113.795 -171.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 30' ' ' ARG 0.28 0.1 OUTLIER -105.08 85.84 2.34 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.695 1.198 . . . . 0.0 107.955 169.532 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -88.05 122.47 31.68 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 124.986 1.314 . . . . 0.0 109.154 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt . . . . . 0 N--CA 1.43 -1.463 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.483 -167.236 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 106.8 -1.555 . . . . 0.0 106.8 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -108.4 136.17 48.48 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.868 1.318 . . . . 0.0 112.834 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.1 -30.65 13.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.898 -1.126 . . . . 0.0 109.703 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 tt -71.05 -41.29 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.52 0 C-N-CA 128.894 2.878 . . . . 0.0 115.95 -163.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.03 -32.14 65.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.839 2.056 . . . . 0.0 113.438 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -59.55 3.5 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 125.641 1.577 . . . . 0.0 108.752 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.0 t -51.21 -35.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 C-N-CA 126.638 1.975 . . . . 0.0 113.485 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -59.13 -62.23 2.04 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 128.852 2.861 . . . . 0.0 112.094 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.98 -39.63 92.83 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 121.032 -1.042 . . . . 0.0 113.73 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -71.31 -23.5 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.344 -1.472 . . . . 0.0 113.003 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.657 HG23 HG21 ' B' ' 80' ' ' VAL . 7.8 mt -60.43 -52.51 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 118.982 -2.324 . . . . 0.0 110.841 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -26.29 66.34 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.459 1.504 . . . . 0.0 114.869 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 17' ' ' ILE . 2.3 t -69.44 -42.61 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.784 -1.197 . . . . 0.0 111.426 167.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.09 73.25 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.816 -2.428 . . . . 0.0 113.332 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -60.68 -26.72 67.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.579 HD11 HG13 ' A' ' 14' ' ' VAL . 1.1 mm -60.71 -46.82 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 125.208 1.403 . . . . 0.0 113.601 166.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 1.5 mm? -55.73 -42.93 76.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.48 -1.387 . . . . 0.0 113.118 172.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.94 -36.43 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 124.642 1.177 . . . . 0.0 112.351 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -51.21 -45.51 61.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.267 -2.146 . . . . 0.0 113.798 166.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -84.78 7.89 19.1 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 52.97 35.82 20.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.419 2.688 . . . . 0.0 114.89 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.34 50.95 0.77 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.395 1.878 . . . . 0.0 110.228 173.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -16.51 63.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -70.88 -15.56 62.63 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.203 -1.561 . . . . 0.0 115.102 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.47 -52.78 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.639 -1.913 . . . . 0.0 110.133 166.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -53.99 -39.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.805 2.442 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.4 tm-20 -52.28 -18.57 1.61 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 129.985 3.314 . . . . 0.0 117.613 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -117.51 110.06 17.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.877 -1.764 . . . . 0.0 110.166 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -34.15 -62.31 0.33 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 130.357 3.463 . . . . 0.0 113.991 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.11 96.12 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -63.56 -33.01 74.65 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.499 -2.001 . . . . 0.0 114.074 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.14 -51.13 65.35 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.89 1.676 . . . . 0.0 111.84 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.42 -40.69 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 131.591 3.956 . . . . 0.0 113.511 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -50.6 70.68 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.513 1.149 . . . . 0.0 109.975 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 8.6 t80 -58.04 -37.19 73.91 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.051 2.14 . . . . 0.0 114.451 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.86 -40.65 80.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.489 -2.007 . . . . 0.0 113.155 173.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -73.68 -18.81 60.97 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.953 -1.092 . . . . 0.0 113.836 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -72.79 -54.87 7.71 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.349 1.06 . . . . 0.0 113.03 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.575 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -88.68 -12.3 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 120.058 -1.651 . . . . 0.0 112.828 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.47 32.11 6.8 Favored Glycine 0 N--CA 1.43 -1.739 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.575 HG23 HD11 ' B' ' 40' ' ' ILE 0.327 26.5 t -71.58 102.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.142 1.449 . . . . 0.0 110.342 167.648 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -106.71 130.02 54.51 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.458 1.503 . . . . 0.0 109.249 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -73.45 -89.9 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -79.83 27.45 0.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.293 -2.129 . . . . 0.0 113.601 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.21 -4.62 80.4 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.117 -1.614 . . . . 0.0 113.423 -154.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -101.77 151.28 22.24 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.682 1.193 . . . . 0.0 110.659 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -73.82 143.43 45.94 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.955 0.883 . . . . 0.0 110.677 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.97 126.42 37.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.342 -1.474 . . . . 0.0 113.304 -160.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -94.9 158.29 15.55 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.063 1.745 . . . . 0.0 112.602 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.64 -37.32 70.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.0 -46.09 68.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.522 -1.361 . . . . 0.0 113.256 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -71.14 -17.12 62.57 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.709 -1.245 . . . . 0.0 113.79 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.422 ' HA ' HG12 ' B' ' 57' ' ' ILE . 86.0 t80 -68.28 -47.42 67.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.773 1.749 . . . . 0.0 111.498 168.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -70.89 -23.2 62.24 Favored 'General case' 0 N--CA 1.429 -1.519 0 O-C-N 119.659 -1.901 . . . . 0.0 111.289 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.23 -40.3 59.2 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 118.973 -2.329 . . . . 0.0 116.143 166.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 54' ' ' PHE 0.306 22.5 pt -56.56 -43.75 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.452 -2.03 . . . . 0.0 115.322 175.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.96 -50.12 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -73.35 -55.56 6.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.563 -1.961 . . . . 0.0 116.031 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.13 18.27 2.63 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -165.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.48 150.12 12.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.912 1.685 . . . . 0.0 112.6 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 48.3 p -82.08 170.06 15.95 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.973 -1.704 . . . . 0.0 110.75 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -56.85 -46.44 81.76 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.982 -1.074 . . . . 0.0 112.167 169.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -34.52 78.48 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.02 -39.12 89.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.839 -1.163 . . . . 0.0 112.448 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.93 -46.03 54.82 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.043 -1.661 . . . . 0.0 111.129 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -33.33 65.97 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.406 1.082 . . . . 0.0 113.154 168.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -60.71 -44.92 95.99 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.431 -0.793 . . . . 0.0 112.439 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.04 -41.95 76.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.549 -1.345 . . . . 0.0 111.689 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.52 -44.21 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.539 1.935 . . . . 0.0 114.631 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.41 -33.98 77.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.76 -1.838 . . . . 0.0 115.138 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -92.17 -28.34 17.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.062 -1.649 . . . . 0.0 113.633 -174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.63 79.98 1.94 Allowed 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.831 1.652 . . . . 0.0 109.627 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -59.07 -72.29 0.1 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.096 1.358 . . . . 0.0 113.969 -170.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.6 -30.38 56.94 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.349 2.259 . . . . 0.0 110.675 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.51 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -66.9 -62.36 4.56 Favored Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 126.109 1.814 . . . . 0.0 112.279 -172.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.317 0.7 OUTLIER -67.1 -41.4 86.34 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.282 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -36.14 -63.99 0.35 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 117.943 2.571 . . . . 0.0 117.943 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.89 -57.75 7.53 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-O 121.931 0.74 . . . . 0.0 112.93 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.657 HG21 HG23 ' B' ' 12' ' ' ILE . 13.7 m -64.98 -24.95 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.411 -2.817 . . . . 0.0 116.237 -171.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -77.15 -21.73 53.65 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.474 -1.392 . . . . 0.0 112.763 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.07 -41.68 97.08 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.177 -1.577 . . . . 0.0 113.18 163.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.4 -49.1 58.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.866 1.666 . . . . 0.0 108.048 -173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.85 -41.93 92.51 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.58 -1.325 . . . . 0.0 113.19 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.63 -36.71 84.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.935 -1.728 . . . . 0.0 115.4 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -83.21 -18.06 40.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.1 -1.625 . . . . 0.0 114.659 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.6 m-85 -89.51 -14.2 35.75 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 122.769 1.271 . . . . 0.0 108.875 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.4 t -126.27 81.3 1.99 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -83.68 121.37 27.18 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.828 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 . . . . . 0 N--CA 1.429 -1.49 0 CA-C-O 123.189 1.471 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.565 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -122.41 152.2 40.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 125.222 1.409 . . . . 0.0 108.961 169.157 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -73.76 -56.48 4.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.7 tt -42.11 -53.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 -161.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -40.96 98.76 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 125.872 1.669 . . . . 0.0 113.814 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.6 m -55.03 -39.7 69.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.989 -2.32 . . . . 0.0 115.9 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.47 -48.85 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.751 -1.843 . . . . 0.0 111.474 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -42.38 -58.61 2.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 130.693 3.597 . . . . 0.0 115.248 170.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.53 -33.82 73.35 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.298 25.0 mt -66.34 -33.63 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 119.164 -2.21 . . . . 0.0 112.804 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.99 -43.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.498 -2.626 . . . . 0.0 114.951 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -67.39 -43.13 82.1 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 112.107 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.584 HG13 HD11 ' B' ' 17' ' ' ILE . 3.7 t -53.24 -46.05 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.023 2.129 . . . . 0.0 115.581 168.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.09 95.59 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 121.041 -1.037 . . . . 0.0 112.271 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -14.7 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' B' ' 17' ' ' ILE . 11.0 mm -64.21 -52.54 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.974 -1.704 . . . . 0.0 111.465 167.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.44 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 1.8 mp -57.58 -38.9 75.64 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.772 -1.205 . . . . 0.0 111.406 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -72.44 -30.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.998 1.319 . . . . 0.0 111.766 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -60.87 -39.24 88.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.253 1.421 . . . . 0.0 112.458 170.272 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 3.82 51.1 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.961 2.104 . . . . 0.0 116.137 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 t 59.0 34.02 23.35 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.167 -2.208 . . . . 0.0 116.528 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -101.47 40.76 1.26 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 128.696 2.798 . . . . 0.0 111.572 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.42 0.0 OUTLIER -62.42 -23.3 66.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 176.367 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -33.87 -54.36 0.47 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 119.373 3.101 . . . . 0.0 119.373 159.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.1 -38.12 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.069 -1.644 . . . . 0.0 111.279 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -69.68 -36.58 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.046 1.338 . . . . 0.0 110.919 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 29.4 tt0 -61.71 -3.24 1.02 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.989 2.916 . . . . 0.0 118.003 -169.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -147.5 133.69 19.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.193 -2.192 . . . . 0.0 110.389 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -51.73 15.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.1 -14.73 60.6 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 118.78 -2.45 . . . . 0.0 116.68 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -80.01 -41.22 26.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -60.85 -53.03 62.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.452 1.101 . . . . 0.0 113.95 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 51' ' ' GLN . 45.0 mt -51.88 -46.04 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.313 2.245 . . . . 0.0 115.29 173.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.14 64.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.468 -2.02 . . . . 0.0 114.268 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 1.8 t80 -72.78 -43.52 62.7 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.257 1.423 . . . . 0.0 109.097 173.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.84 -50.98 67.29 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.137 1.375 . . . . 0.0 113.724 172.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.96 -38.29 90.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.131 -1.605 . . . . 0.0 115.32 173.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -50.24 -58.66 5.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 pt -75.69 -19.55 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.48 46.98 4.46 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.13 127.44 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 119.145 1.473 . . . . 0.0 109.031 166.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.0 p -108.43 153.66 22.98 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.2 t60 -78.75 -102.01 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.813 -1.179 . . . . 0.0 113.107 168.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.03 57.98 1.53 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.296 -1.502 . . . . 0.0 108.334 -169.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.21 2.22 39.28 Favored Glycine 0 N--CA 1.429 -1.789 0 N-CA-C 117.349 1.7 . . . . 0.0 117.349 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -124.72 159.07 31.72 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 119.481 1.64 . . . . 0.0 108.139 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -71.07 152.9 43.03 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 123.688 0.795 . . . . 0.0 110.863 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.55 129.59 45.72 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.103 -0.998 . . . . 0.0 109.522 -158.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -100.85 176.31 5.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 125.497 1.519 . . . . 0.0 112.467 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG2' HG21 ' A' ' 34' ' ' ILE . 17.3 mt-30 -79.14 -42.26 26.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.887 -1.758 . . . . 0.0 112.797 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -64.25 -49.97 69.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.905 -1.122 . . . . 0.0 111.813 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 48.3 m -61.84 -23.23 66.13 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.06 -47.96 59.78 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.722 1.249 . . . . 0.0 109.378 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -32.05 73.13 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.57 -1.331 . . . . 0.0 112.174 -174.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.262 0.1 OUTLIER -63.39 -40.34 96.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 168.746 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.345 11.8 pt -58.72 -49.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.63 -25.18 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 m -80.39 -61.84 1.86 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 172.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.267 13.3 pt-20 -82.73 10.82 6.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.871 2.578 . . . . 0.0 114.96 -156.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.5 mt -44.58 146.05 0.79 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.61 1.964 . . . . 0.0 113.901 170.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 p -82.61 175.22 10.34 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.2 -40.61 71.05 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.789 -1.819 . . . . 0.0 108.764 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.64 -30.01 69.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.05 1.34 . . . . 0.0 114.482 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -70.57 -37.8 74.0 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 122.818 1.294 . . . . 0.0 110.701 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.83 -37.8 23.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.805 -1.809 . . . . 0.0 107.386 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -34.07 76.6 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.051 1.34 . . . . 0.0 109.574 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.52 -37.34 82.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 119.222 0.919 . . . . 0.0 112.219 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.13 -25.23 42.96 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.794 -1.191 . . . . 0.0 111.43 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.01 -43.42 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.083 -1.636 . . . . 0.0 111.028 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -65.51 -36.74 84.72 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.601 -1.312 . . . . 0.0 113.567 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -80.26 -30.12 38.42 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.837 -1.164 . . . . 0.0 113.141 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.46 78.85 1.75 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 121.7 2.046 . . . . 0.0 106.079 -165.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -57.19 -69.52 0.16 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.111 -0.993 . . . . 0.0 112.914 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.99 -46.44 84.56 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.946 -1.096 . . . . 0.0 112.891 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.56 -63.56 5.17 Favored Glycine 0 N--CA 1.431 -1.687 0 C-N-CA 125.491 1.52 . . . . 0.0 114.663 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -77.24 -30.11 54.38 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.284 -166.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.16 -52.97 48.58 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 120.568 1.531 . . . . 0.0 114.224 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.95 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 123.374 0.511 . . . . 0.0 113.72 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.96 -24.39 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.721 -2.046 . . . . 0.0 114.74 -169.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -74.19 -28.79 61.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.348 -1.47 . . . . 0.0 114.722 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -58.2 -40.9 82.78 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.652 2.478 . . . . 0.0 116.031 164.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.02 -58.66 4.14 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.46 -38.52 74.6 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.633 -1.292 . . . . 0.0 114.309 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.91 -58.74 4.4 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 119.257 0.935 . . . . 0.0 113.455 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.93 -28.7 70.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.2 m-30 -76.5 -1.23 26.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.245 -1.534 . . . . 0.0 112.307 -172.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.251 0.1 OUTLIER -116.47 106.98 14.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.074 1.349 . . . . 0.0 110.129 171.252 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -98.01 123.99 42.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 166.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.659 -159.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.524 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -111.66 147.63 35.13 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 164.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.0 OUTLIER -82.33 -40.43 21.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.316 -2.115 . . . . 0.0 112.932 -173.244 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -69.64 -36.57 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.714 2.406 . . . . 0.0 111.577 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -40.86 73.35 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.229 -1.35 . . . . 0.0 113.775 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -75.47 -41.5 55.41 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 123.175 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.3 t -53.51 -41.61 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 120.203 -1.561 . . . . 0.0 114.286 170.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.81 -50.11 74.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.445 2.298 . . . . 0.0 112.746 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -70.32 -36.69 74.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -73.3 -25.16 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 118.963 -2.336 . . . . 0.0 114.309 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.2 mt -53.88 -59.84 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.92 -2.363 . . . . 0.0 112.759 168.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -60.75 -38.18 84.31 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.62 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -58.47 -43.59 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.996 1.718 . . . . 0.0 113.807 169.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.37 -34.88 65.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.835 -2.416 . . . . 0.0 112.822 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.309 52.2 p -62.17 -24.08 66.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 167.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' A' ' 17' ' ' ILE . 4.2 mm -58.94 -49.61 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.286 1.435 . . . . 0.0 112.874 167.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.79 -41.84 87.62 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -37.34 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.55 -2.594 . . . . 0.0 114.466 169.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -50.23 -41.65 50.4 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.121 -2.237 . . . . 0.0 115.395 168.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -91.83 11.11 25.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.11 -1.619 . . . . 0.0 113.582 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.274 2.3 t 52.64 49.43 20.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 127.058 2.143 . . . . 0.0 115.039 -174.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -125.2 40.58 3.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.544 1.938 . . . . 0.0 108.937 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -15.84 62.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.549 -1.345 . . . . 0.0 113.303 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.15 -36.44 1.18 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 131.587 3.955 . . . . 0.0 116.947 162.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mt -68.01 -39.96 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-O 122.797 1.284 . . . . 0.0 111.432 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.51 -34.63 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.255 1.822 . . . . 0.0 113.495 -165.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 12.3 pt-20 -54.75 -20.26 8.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.554 3.539 . . . . 0.0 120.554 -172.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -117.51 133.46 55.94 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.442 -1.411 . . . . 0.0 107.911 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' HB ' ' B' ' 88' ' ' THR . 38.0 mtm-85 -49.61 -52.42 30.5 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 123.491 1.615 . . . . 0.0 113.396 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.03 90.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -169.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -56.33 -37.73 70.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.78 -51.4 65.0 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.607 1.163 . . . . 0.0 112.932 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.83 -36.1 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 129.085 2.954 . . . . 0.0 111.542 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.29 69.52 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.093 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.68 -41.52 66.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 165.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.04 -32.28 69.6 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.138 -2.226 . . . . 0.0 114.97 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.85 -38.67 61.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.061 -2.274 . . . . 0.0 111.788 171.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -64.21 -42.4 96.62 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.726 2.411 . . . . 0.0 113.779 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 pt -90.71 -23.27 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 111.955 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.58 53.86 4.19 Favored Glycine 0 N--CA 1.43 -1.705 0 CA-C-O 116.834 -2.092 . . . . 0.0 116.829 -173.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.82 125.71 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 1 CA-C-N 124.379 4.09 . . . . 0.0 105.763 164.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -107.14 158.12 17.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.581 -1.324 . . . . 0.0 110.586 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.524 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 5.9 t60 -73.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.469 -1.394 . . . . 0.0 110.984 168.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -94.89 48.68 1.2 Allowed 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.67 -1.894 . . . . 0.0 110.012 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.92 12.53 75.11 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 117.009 1.563 . . . . 0.0 117.009 -167.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -127.35 152.14 47.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.452 -1.616 . . . . 0.0 110.331 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -66.26 144.26 56.71 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 111.614 -168.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 128.98 34.91 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.18 1.467 . . . . 0.0 114.629 -168.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -98.21 158.71 15.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.687 1.595 . . . . 0.0 109.491 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -72.59 -36.02 68.05 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.778 -1.201 . . . . 0.0 113.712 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -72.28 -41.35 66.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.278 1.431 . . . . 0.0 113.569 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -78.68 -20.49 50.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.363 -1.461 . . . . 0.0 112.176 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.87 -47.78 81.88 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 124.236 1.969 . . . . 0.0 110.862 164.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.57 -28.41 64.87 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.714 -1.241 . . . . 0.0 112.617 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.31 14.7 ptpt -58.74 -51.72 68.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 159.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.266 14.0 pt -60.42 -42.0 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.993 -1.692 . . . . 0.0 114.128 -171.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 -31.45 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -74.38 -55.74 5.65 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.92 0.79 12.32 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -158.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.81 132.55 52.65 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.366 1.466 . . . . 0.0 113.679 172.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.5 p -79.87 171.96 14.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.936 -1.103 . . . . 0.0 110.11 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -58.2 -39.41 78.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.849 -1.157 . . . . 0.0 112.636 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.45 -37.84 88.92 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -71.11 -35.19 71.68 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.416 -2.052 . . . . 0.0 112.527 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.69 -41.34 68.77 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.791 -1.818 . . . . 0.0 110.806 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' B' ' 67' ' ' LYS . 3.3 mmmp? -54.68 -34.38 62.21 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 165.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.5 m -63.08 -48.7 77.53 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.633 0.73 . . . . 0.0 111.676 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.86 -43.65 92.29 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.681 -1.887 . . . . 0.0 114.021 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.19 -33.71 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.301 1.84 . . . . 0.0 114.921 172.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.57 -33.75 73.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.269 -1.519 . . . . 0.0 113.718 172.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -100.85 -29.49 12.21 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.62 -1.3 . . . . 0.0 112.608 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.33 80.15 1.92 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.93 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.9 -70.01 0.28 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.973 0.909 . . . . 0.0 112.391 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.71 -55.02 38.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.252 -1.53 . . . . 0.0 112.159 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.57 -67.21 0.74 Allowed Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 121.63 3.412 . . . . 0.0 121.63 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -31.78 44.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.692 -1.476 . . . . 0.0 109.612 -169.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -58.7 -48.26 81.75 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 120.04 1.291 . . . . 0.0 112.093 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -70.85 0.92 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 171.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.266 0.0 OUTLIER -66.99 -19.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 119.101 -2.411 . . . . 0.0 116.961 -172.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.18 -23.49 61.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 120.721 1.6 . . . . 0.0 113.839 170.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -61.4 -50.31 73.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.432 -2.043 . . . . 0.0 112.208 165.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -62.33 -54.64 37.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.481 1.512 . . . . 0.0 110.31 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -48.59 -42.49 34.06 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.758 1.623 . . . . 0.0 114.444 173.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.53 -41.99 65.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.959 -1.088 . . . . 0.0 110.505 -172.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -81.27 -18.07 47.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.443 -1.41 . . . . 0.0 113.532 -173.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.438 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 23.1 m-85 -89.96 -6.79 55.3 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 109.553 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' B' ' 30' ' ' ARG 0.299 0.0 OUTLIER -128.69 88.38 2.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.219 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -90.59 131.07 36.52 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 164.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 N--CA 1.429 -1.482 0 O-C-N 121.276 -0.89 . . . . 0.0 110.385 -167.72 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.43 -1.462 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.55 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 1.3 mptt -119.3 -150.08 0.45 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.834 0.854 . . . . 0.0 109.654 -165.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -76.27 -60.93 2.12 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.391 -2.068 . . . . 0.0 110.291 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 tt -37.34 -37.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 C-N-CA 129.978 3.311 . . . . 0.0 118.185 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -67.46 -43.94 79.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 100.0 m -70.46 -43.3 70.13 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.53 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.31 -39.91 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 121.448 1.931 . . . . 0.0 108.267 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.1 ttt180 -64.33 -37.58 88.0 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 120.746 3.609 . . . . 0.0 120.746 171.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.65 -31.94 70.33 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.746 1.612 . . . . 0.0 110.895 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.46 -24.02 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 120.392 -1.442 . . . . 0.0 114.813 171.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 9' ' ' ARG . 13.6 mt -64.49 -42.68 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-N 119.897 1.226 . . . . 0.0 112.535 175.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.8 p -64.29 -52.99 55.84 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.949 -1.094 . . . . 0.0 111.844 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG13 HD11 ' B' ' 17' ' ' ILE . 9.4 t -45.67 -50.37 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.729 2.412 . . . . 0.0 115.641 170.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.65 78.79 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.733 -2.479 . . . . 0.0 113.805 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 p -69.69 -18.94 63.59 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.615 HD11 HG13 ' B' ' 14' ' ' VAL . 36.7 mm -61.42 -53.37 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.999 1.319 . . . . 0.0 110.944 168.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.39 -43.71 83.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.074 0.95 . . . . 0.0 111.863 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.6 mt -68.28 -32.16 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 121.359 -0.838 . . . . 0.0 113.142 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.45 78.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.021 -1.674 . . . . 0.0 113.106 169.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.51 7.84 36.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.539 1.536 . . . . 0.0 113.402 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 62.04 28.25 17.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -97.92 44.15 1.05 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 128.196 2.598 . . . . 0.0 112.421 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -65.7 -18.22 65.17 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -52.73 -30.34 31.98 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 168.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 mt -72.85 -49.15 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 125.316 1.447 . . . . 0.0 110.717 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.22 -43.93 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 125.958 1.703 . . . . 0.0 113.507 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.9 tm-20 -51.11 -17.4 0.64 Allowed 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 129.585 3.154 . . . . 0.0 118.782 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.78 123.11 39.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.215 -2.178 . . . . 0.0 110.307 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -40.4 -46.91 2.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 170.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -27.12 22.14 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 118.901 -2.374 . . . . 0.0 111.751 -167.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.71 -35.27 70.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.165 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -67.17 -50.42 61.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.611 1.164 . . . . 0.0 110.893 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -54.82 -41.48 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.95 2.1 . . . . 0.0 113.542 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.5 84.03 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 113.89 -3.124 . . . . 0.0 115.045 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -54.99 -37.57 66.73 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 128.01 2.524 . . . . 0.0 114.563 166.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.6 mt -54.29 -43.98 71.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.449 -2.657 . . . . 0.0 114.47 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -75.22 -14.79 60.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.39 -50.6 17.91 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.767 1.227 . . . . 0.0 113.673 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -95.44 -12.04 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.264 -1.523 . . . . 0.0 112.76 -170.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.9 30.68 7.38 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 126.787 2.137 . . . . 0.0 115.586 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 HD11 ' A' ' 40' ' ' ILE . 77.0 t -70.82 113.15 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 118.448 1.124 . . . . 0.0 110.078 166.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -108.7 160.76 15.69 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.343 1.857 . . . . 0.0 108.3 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.55 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.267 9.3 t60 -83.47 -97.59 0.05 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.341 -1.474 . . . . 0.0 112.468 170.128 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.14 51.51 2.06 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.705 -1.872 . . . . 0.0 110.508 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.77 3.11 54.07 Favored Glycine 0 N--CA 1.431 -1.687 0 O-C-N 119.822 -1.799 . . . . 0.0 117.53 -172.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -114.62 150.98 34.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.825 1.65 . . . . 0.0 109.22 -176.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.43 129.72 41.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.751 1.621 . . . . 0.0 113.08 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.98 126.5 31.12 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.297 1.039 . . . . 0.0 113.048 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.11 161.8 13.37 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.875 1.27 . . . . 0.0 112.839 -167.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.47 -39.96 73.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.997 -1.689 . . . . 0.0 113.157 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -77.18 -36.59 54.92 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 121.203 -0.935 . . . . 0.0 112.707 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -88.08 -13.93 40.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 123.814 0.845 . . . . 0.0 111.602 -174.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.01 -51.55 66.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.256 -1.528 . . . . 0.0 107.954 161.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -63.33 -30.53 71.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.126 -1.609 . . . . 0.0 114.381 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.11 -44.25 89.37 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.696 -1.877 . . . . 0.0 113.826 170.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.424 46.3 pt -53.62 -49.96 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 m -83.13 -32.31 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.903 1.811 . . . . 0.0 114.102 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -88.42 -53.57 4.61 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 9.9 pt-20 -88.1 17.65 4.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.028 2.131 . . . . 0.0 113.612 -168.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.16 152.32 4.41 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 169.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -82.98 168.75 16.71 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 112.069 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.37 -39.53 90.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.364 -1.46 . . . . 0.0 111.74 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.21 -37.5 87.48 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.93 -36.98 85.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.012 -1.68 . . . . 0.0 112.971 173.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -72.93 -44.86 60.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.41 1.484 . . . . 0.0 109.997 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -35.19 71.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.801 0.84 . . . . 0.0 113.196 169.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -63.8 -51.44 64.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.727 -1.233 . . . . 0.0 113.403 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.3 -48.41 79.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.647 -1.283 . . . . 0.0 112.122 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.59 -42.71 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.682 2.393 . . . . 0.0 113.132 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -58.61 -25.09 62.29 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.979 -1.7 . . . . 0.0 114.055 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -111.71 -39.14 4.67 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 122.101 2.228 . . . . 0.0 110.865 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -113.33 56.37 0.69 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.324 1.45 . . . . 0.0 109.978 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -47.39 -58.58 4.0 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.64 -44.07 52.24 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.621 -1.925 . . . . 0.0 111.756 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.66 -51.86 18.37 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 124.313 0.959 . . . . 0.0 111.374 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.389 0.0 OUTLIER -73.33 -46.19 50.89 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 116.52 -1.705 . . . . 0.0 110.007 -175.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -45.51 -48.9 14.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 122.685 2.493 . . . . 0.0 116.741 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.94 2.66 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.515 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.2 m -65.68 -17.96 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 120.162 -1.787 . . . . 0.0 115.521 -171.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.22 -41.03 67.35 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.446 -1.409 . . . . 0.0 114.078 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -51.01 -41.54 59.84 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 165.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.9 -44.91 68.76 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.237 1.415 . . . . 0.0 108.799 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.71 -53.71 54.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.156 -1.59 . . . . 0.0 110.219 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -53.87 -42.99 69.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 ptp -82.69 -26.18 32.3 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.665 -173.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.1 m-30 -83.25 -17.16 43.64 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.733 -1.229 . . . . 0.0 110.756 -175.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.349 5.9 t -128.25 48.09 2.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.559 1.144 . . . . 0.0 111.475 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -86.81 118.94 26.53 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 143.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 N--CA 1.429 -1.482 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 -177.309 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 122.364 1.078 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -116.28 -176.55 2.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 166.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -67.59 -50.66 57.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.399 -2.063 . . . . 0.0 114.112 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.39 -40.95 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.02 -39.31 66.03 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.005 2.122 . . . . 0.0 111.579 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.444 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -63.76 -59.31 4.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.629 2.371 . . . . 0.0 111.802 176.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.45 -35.13 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.736 2.415 . . . . 0.0 112.058 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -59.4 -60.35 3.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 130.708 3.603 . . . . 0.0 111.551 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.36 -27.02 64.97 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.477 -1.389 . . . . 0.0 113.732 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.8 -39.03 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 113.011 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -53.38 -47.69 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 130.681 3.592 . . . . 0.0 114.342 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -72.23 -41.91 66.32 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.743 -1.223 . . . . 0.0 112.522 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 17' ' ' ILE . 11.1 t -54.59 -42.0 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 O-C-N 119.715 -1.866 . . . . 0.0 113.75 167.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.43 63.25 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.08 -1.637 . . . . 0.0 115.069 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.4 p -82.72 -10.37 58.94 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.089 -2.882 . . . . 0.0 112.76 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.763 HD11 HG13 ' A' ' 14' ' ' VAL . 9.9 mm -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 CA-C-N 120.16 1.346 . . . . 0.0 109.384 163.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.26 -33.92 75.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.67 -1.269 . . . . 0.0 114.264 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 29.1 mt -77.69 -25.82 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.109 -1.619 . . . . 0.0 112.066 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -39.54 91.21 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.127 1.771 . . . . 0.0 110.2 170.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.6 8.74 23.84 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.38 -2.075 . . . . 0.0 114.037 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.331 8.1 t 62.47 32.26 16.74 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 175.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -111.99 42.11 1.82 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.284 2.233 . . . . 0.0 111.32 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -60.67 -20.82 61.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 175.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.64 -43.24 0.87 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 155.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.61 -42.24 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.105 -1.622 . . . . 0.0 111.679 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.3 -32.24 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.733 1.613 . . . . 0.0 113.0 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 41.3 tt0 -51.07 -20.49 1.45 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 128.641 2.777 . . . . 0.0 117.926 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -133.56 137.05 45.33 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.922 -2.361 . . . . 0.0 112.543 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -53.8 12.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.19 1.796 . . . . 0.0 113.074 173.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.57 61.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.078 -2.889 . . . . 0.0 116.393 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.62 -43.43 47.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.077 -1.639 . . . . 0.0 110.171 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.08 -61.59 2.06 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.696 1.999 . . . . 0.0 114.67 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 54' ' ' PHE . 50.2 mt -51.04 -39.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.574 3.149 . . . . 0.0 114.609 173.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.11 91.88 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.008 -1.057 . . . . 0.0 112.966 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -33.17 54.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.746 1.618 . . . . 0.0 109.713 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.18 -43.61 78.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.958 -1.089 . . . . 0.0 113.094 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -76.39 -17.58 59.29 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.764 -1.835 . . . . 0.0 115.653 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.13 -66.75 0.5 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.467 -1.396 . . . . 0.0 111.544 165.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.279 0.2 OUTLIER -81.36 -7.82 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -170.63 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 53.38 3.37 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.81 68.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 120.336 2.068 . . . . 0.0 108.515 169.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.27 44.2 p -96.53 149.32 21.89 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.769 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.281 10.3 t-160 -87.29 -80.02 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 117.335 -1.746 . . . . 0.0 108.75 -152.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.33 44.49 1.16 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.868 1.318 . . . . 0.0 109.539 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.03 1.5 48.83 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-O 116.405 -2.331 . . . . 0.0 116.167 -165.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -126.54 147.33 49.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 121.477 2.638 . . . . 0.0 105.479 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -56.69 135.37 55.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.235 1.017 . . . . 0.0 112.643 -166.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -91.09 131.01 36.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -162.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.67 164.38 11.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.642 -1.286 . . . . 0.0 111.506 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.09 -29.96 69.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.257 -2.152 . . . . 0.0 116.292 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -80.67 -19.22 45.69 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 125.901 2.762 . . . . 0.0 114.566 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -88.58 -32.87 17.91 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.898 -1.955 . . . . 0.0 107.759 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' B' ' 34' ' ' ILE . 61.6 t80 -58.19 -51.34 70.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 167.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -69.69 -28.25 65.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.695 -1.878 . . . . 0.0 113.204 -172.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -62.01 -45.31 94.15 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 165.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.444 HD13 HG21 ' B' ' 7' ' ' THR 0.284 25.4 pt -60.75 -42.95 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 121.113 1.779 . . . . 0.0 115.588 -177.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.66 -44.7 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.467 1.127 . . . . 0.0 112.412 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -68.85 -60.12 2.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.367 -1.458 . . . . 0.0 113.869 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.78 8.79 13.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 115.643 -2.423 . . . . 0.0 115.328 -155.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.3 mt -38.04 141.66 0.2 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 129.461 3.104 . . . . 0.0 114.593 159.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.9 p -83.3 175.84 9.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.231 -1.543 . . . . 0.0 110.875 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.89 -41.66 96.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.358 -1.464 . . . . 0.0 111.565 166.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -57.99 -37.44 74.25 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.59 -29.1 66.55 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.263 1.506 . . . . 0.0 113.111 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -85.87 -35.3 20.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.224 1.41 . . . . 0.0 110.914 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -60.74 -41.21 94.94 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.608 -1.308 . . . . 0.0 111.785 167.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 96.5 m -55.35 -44.64 76.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.536 1.134 . . . . 0.0 113.109 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.91 -31.39 56.66 Favored 'General case' 0 N--CA 1.432 -1.369 0 O-C-N 120.72 -1.237 . . . . 0.0 111.806 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.05 -39.71 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.397 -2.065 . . . . 0.0 114.295 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -66.32 -43.82 85.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.608 -1.308 . . . . 0.0 113.227 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -87.96 -35.88 17.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.904 -1.123 . . . . 0.0 112.802 -168.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -123.64 60.69 1.08 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.124 1.44 . . . . 0.0 107.311 -163.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -54.77 -71.46 0.08 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.12 -2.238 . . . . 0.0 116.536 -157.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.92 -35.49 74.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.249 -1.532 . . . . 0.0 112.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.26 -54.95 17.73 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.783 1.659 . . . . 0.0 113.735 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.431 ' HA ' HG22 ' B' ' 80' ' ' VAL . 13.8 t80 -75.77 -38.45 58.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.962 -1.316 . . . . 0.0 110.23 -174.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -55.5 -46.44 76.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.131 -2.231 . . . . 0.0 115.085 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -65.64 3.25 Favored Glycine 0 N--CA 1.429 -1.777 0 O-C-N 120.7 -1.25 . . . . 0.0 114.608 166.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' B' ' 77' ' ' PHE . 15.5 m -66.1 -23.32 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.205 -1.762 . . . . 0.0 115.081 -170.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -81.66 -12.55 58.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.47 -1.394 . . . . 0.0 113.137 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.55 -44.81 81.34 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 118.925 -2.36 . . . . 0.0 110.61 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.06 -53.88 38.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.921 2.488 . . . . 0.0 108.818 -174.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.91 -34.22 74.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.294 1.838 . . . . 0.0 111.49 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -78.15 -35.51 48.79 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 119.394 0.997 . . . . 0.0 110.501 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 13.2 ptp -80.62 -21.77 41.21 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 123.331 1.538 . . . . 0.0 112.768 -172.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.6 m-85 -88.18 6.14 38.04 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.513 -1.367 . . . . 0.0 113.075 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -146.03 52.42 1.15 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.858 -1.152 . . . . 0.0 108.498 168.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -90.64 114.19 26.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.829 -1.795 . . . . 0.0 113.982 162.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 169.013 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 N--CA 1.431 -1.412 0 CA-C-O 123.098 1.427 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.567 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -123.44 -140.16 0.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 166.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -92.44 -46.94 7.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.931 -2.356 . . . . 0.0 110.877 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.17 -38.78 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.52 -46.03 63.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.36 1.864 . . . . 0.0 113.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.2 m -80.0 -37.3 34.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.909 -1.119 . . . . 0.0 112.238 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.51 -46.62 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-O 117.826 -1.083 . . . . 0.0 111.186 167.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -51.45 -41.41 60.85 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 118.808 2.892 . . . . 0.0 118.808 167.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.91 -35.9 64.69 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 121.622 2.01 . . . . 0.0 115.406 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.13 -33.8 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 171.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.43 -53.48 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 118.05 -2.906 . . . . 0.0 115.12 167.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.406 HG21 HG22 ' B' ' 42' ' ' VAL . 15.0 p -63.42 -49.53 73.37 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.311 -0.868 . . . . 0.0 111.48 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HD11 ' B' ' 17' ' ' ILE . 3.1 t -58.03 -40.55 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.46 1.504 . . . . 0.0 111.574 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.84 69.48 Favored 'General case' 0 N--CA 1.43 -1.435 2 O-C-N 113.478 -5.764 . . . . 0.0 110.055 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.303 94.8 p -67.57 -11.08 57.26 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 175.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.628 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -70.25 -48.86 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 125.636 1.574 . . . . 0.0 109.292 160.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.85 -35.1 74.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.788 -1.82 . . . . 0.0 109.671 172.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.76 -32.56 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 122.016 2.189 . . . . 0.0 113.891 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -54.75 -43.37 72.66 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.132 1.787 . . . . 0.0 112.785 173.054 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.438 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.365 3.8 t 75.22 49.8 0.08 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 124.362 2.03 . . . . 0.0 112.277 -176.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -111.46 37.6 2.84 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 128.971 2.908 . . . . 0.0 106.236 164.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.21 -8.41 53.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.96 -44.56 1.72 Allowed 'General case' 0 N--CA 1.429 -1.507 1 C-N-CA 133.27 4.628 . . . . 0.0 117.011 156.366 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -66.66 -51.91 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.613 -1.929 . . . . 0.0 112.247 168.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -51.13 -39.11 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 23.6 tt0 -54.11 -25.21 20.84 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.39 3.076 . . . . 0.0 117.301 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -113.2 127.24 56.12 Favored 'General case' 0 N--CA 1.429 -1.523 0 O-C-N 119.456 -2.027 . . . . 0.0 112.76 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -44.14 -51.9 7.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.387 2.275 . . . . 0.0 114.618 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.48 27.19 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.663 -1.273 . . . . 0.0 113.308 -168.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.61 -26.6 64.52 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 120.091 -1.631 . . . . 0.0 110.738 173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.79 -53.15 23.36 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.045 1.748 . . . . 0.0 113.958 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.82 -38.89 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 128.334 2.654 . . . . 0.0 115.978 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.99 95.55 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.885 -1.76 . . . . 0.0 110.89 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.5 -31.2 69.31 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 120.491 -1.381 . . . . 0.0 113.816 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.78 -35.18 75.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 123.272 2.76 . . . . 0.0 114.514 171.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -75.84 -22.78 55.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.906 -1.746 . . . . 0.0 113.104 171.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.83 -50.7 16.22 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -83.95 -30.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.288 -2.133 . . . . 0.0 112.973 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.28 45.18 2.62 Favored Glycine 0 N--CA 1.431 -1.647 0 C-N-CA 125.546 1.545 . . . . 0.0 115.961 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.63 109.69 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.793 1.282 . . . . 0.0 108.741 164.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -100.78 152.72 20.16 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.914 -1.742 . . . . 0.0 107.441 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.567 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 25.6 t60 -82.62 -90.37 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.892 -1.755 . . . . 0.0 109.433 175.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.24 45.58 1.28 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.165 -1.584 . . . . 0.0 111.194 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.97 13.3 82.74 Favored Glycine 0 N--CA 1.43 -1.704 0 C-N-CA 117.378 -2.344 . . . . 0.0 114.823 -175.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -131.0 153.82 48.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 120.678 2.239 . . . . 0.0 111.058 172.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -62.89 148.07 48.36 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 123.853 3.024 . . . . 0.0 115.161 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 125.32 36.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.375 -164.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -101.12 172.21 7.15 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.312 -166.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.19 -46.41 50.74 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -61.13 -44.55 97.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.354 1.062 . . . . 0.0 110.952 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -79.61 -20.71 46.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 43.9 t80 -61.76 -54.69 39.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 124.596 1.159 . . . . 0.0 109.956 162.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -62.37 -27.15 68.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -173.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.329 14.7 ptpt -66.13 -48.9 69.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.217 -0.927 . . . . 0.0 113.182 171.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.35 25.3 pt -58.55 -47.01 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 54' ' ' PHE . 35.5 m -79.17 -34.99 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m -73.21 -57.81 3.76 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.291 3.0 pt-20 -81.25 9.16 7.41 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.544 -2.597 . . . . 0.0 117.326 -166.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -46.58 139.25 5.25 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.949 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.7 p -77.23 164.02 25.99 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.099 -1.626 . . . . 0.0 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -55.54 -38.64 69.55 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.413 -1.429 . . . . 0.0 113.069 174.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.29 -26.56 63.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.43 -37.2 71.48 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.987 -1.696 . . . . 0.0 108.507 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -72.65 -48.23 41.02 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 121.935 0.874 . . . . 0.0 110.485 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -60.71 -24.94 66.05 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -65.93 -45.86 80.32 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.061 -1.649 . . . . 0.0 110.682 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.21 -26.41 65.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.327 -1.483 . . . . 0.0 114.312 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.3 mm -71.96 -39.45 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 117.64 -1.624 . . . . 0.0 108.05 171.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.87 -31.59 56.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 114.018 -3.073 . . . . 0.0 119.078 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -75.13 -39.44 60.52 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.489 -2.007 . . . . 0.0 114.216 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -123.88 73.35 1.21 Allowed 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.817 -1.802 . . . . 0.0 110.35 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -55.64 -72.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -64.92 -53.25 49.41 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.174 -1.579 . . . . 0.0 110.968 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.18 -64.89 3.99 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-O 118.107 -1.385 . . . . 0.0 116.556 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -73.68 -16.31 61.21 Favored 'General case' 0 N--CA 1.43 -1.473 1 CA-C-N 124.534 4.167 . . . . 0.0 114.567 -171.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.21 -55.89 28.22 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 116.174 -2.211 . . . . 0.0 112.238 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.38 7.65 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 119.918 -1.739 . . . . 0.0 114.099 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.75 -16.8 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 O-C-N 116.432 -3.981 . . . . 0.0 112.667 -171.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -76.14 -28.34 57.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 121.23 1.832 . . . . 0.0 113.325 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -50.24 -45.92 54.4 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.662 1.574 . . . . 0.0 113.128 166.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.41 -61.31 1.97 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.56 1.944 . . . . 0.0 107.455 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -50.03 -49.08 52.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 124.691 3.405 . . . . 0.0 117.597 173.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.63 -47.77 78.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 120.505 1.502 . . . . 0.0 114.114 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 ptp -74.81 -20.24 59.86 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.486 -1.384 . . . . 0.0 114.658 -176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 15.1 m-85 -85.33 -8.9 58.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.148 -1.595 . . . . 0.0 109.906 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.0 OUTLIER -123.92 63.53 1.06 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 121.963 2.165 . . . . 0.0 108.167 166.279 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.53 130.72 44.57 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.153 -1.592 . . . . 0.0 108.262 159.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? . . . . . 0 N--CA 1.431 -1.412 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 172.323 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -117.0 -156.86 0.64 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 121.134 1.788 . . . . 0.0 108.494 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.51 -26.75 27.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.141 -2.224 . . . . 0.0 113.747 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 tt -56.36 -39.71 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 124.604 1.162 . . . . 0.0 111.796 170.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -58.14 -33.82 69.59 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.837 1.255 . . . . 0.0 113.976 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -46.25 90.7 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.243 1.496 . . . . 0.0 113.013 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.484 HG21 HD11 ' B' ' 61' ' ' LEU . 5.0 t -62.58 -42.3 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.304 -1.498 . . . . 0.0 111.588 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -51.04 -53.52 32.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.726 3.21 . . . . 0.0 113.793 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.85 -49.88 67.49 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.436 3.017 . . . . 0.0 114.581 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.268 30.5 mt -75.87 -19.54 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 112.046 -2.343 . . . . 0.0 112.343 -169.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.599 HG23 HG21 ' B' ' 80' ' ' VAL . 12.9 mt -63.64 -58.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.155 2.582 . . . . 0.0 111.121 172.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -68.09 -35.67 78.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.4 -41.81 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-O 124.801 2.239 . . . . 0.0 116.581 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -65.44 -27.9 68.85 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.189 -2.819 . . . . 0.0 117.21 171.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.295 13.3 p -80.08 -16.33 55.25 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.457 -2.027 . . . . 0.0 108.405 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.726 HD11 HG13 ' A' ' 14' ' ' VAL . 13.1 mm -58.77 -49.73 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-O 124.148 1.928 . . . . 0.0 113.333 165.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.81 -29.63 68.84 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 128.216 3.865 . . . . 0.0 118.568 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.284 13.5 mt -68.42 -39.09 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 1 O-C-N 115.898 -4.251 . . . . 0.0 114.118 167.795 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.9 68.3 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.835 -1.791 . . . . 0.0 114.393 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -81.52 -2.22 49.02 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.914 -1.741 . . . . 0.0 115.314 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.0 t 81.0 31.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -122.04 55.34 1.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-O 123.618 1.675 . . . . 0.0 107.569 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.274 0.0 OUTLIER -65.7 -17.57 64.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.805 170.022 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.92 -33.35 36.85 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.75 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 117.122 -3.486 . . . . 0.0 113.678 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.26 -37.74 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.964 1.706 . . . . 0.0 113.388 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 28.3 tt0 -56.94 -14.32 3.45 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.182 3.03 . . . . 0.0 119.182 -174.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.07 154.94 42.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.536 -1.978 . . . . 0.0 109.576 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -65.53 -49.74 67.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.22 36.68 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.869 -1.769 . . . . 0.0 112.539 -158.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.91 -33.8 70.97 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.39 -58.71 7.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.967 2.107 . . . . 0.0 112.71 169.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt -50.99 -43.95 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 130.664 3.585 . . . . 0.0 113.781 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.87 77.72 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.827 -1.171 . . . . 0.0 113.809 171.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.97 -27.88 54.92 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 112.782 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.76 -39.26 73.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.476 -0.765 . . . . 0.0 110.881 166.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -72.22 -30.67 65.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.218 -1.551 . . . . 0.0 112.372 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.4 -63.22 1.19 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 120.253 1.388 . . . . 0.0 112.24 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.43 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -82.79 -18.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.602 -169.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.47 50.94 3.43 Favored Glycine 0 N--CA 1.43 -1.747 0 O-C-N 120.949 -1.094 . . . . 0.0 112.633 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.43 HG23 HD11 ' B' ' 40' ' ' ILE . 20.2 t -79.73 84.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-O 124.356 2.027 . . . . 0.0 109.91 160.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -97.99 119.79 37.23 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.064 -1.647 . . . . 0.0 106.949 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -68.12 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.485 -1.384 . . . . 0.0 112.549 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.31 39.85 0.54 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 117.761 -3.087 . . . . 0.0 114.001 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.71 7.64 88.09 Favored Glycine 0 N--CA 1.43 -1.726 0 O-C-N 119.789 -1.819 . . . . 0.0 114.479 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -129.32 144.11 51.11 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.381 -1.658 . . . . 0.0 110.364 -168.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.315 61.8 mttp -60.87 144.92 51.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.1 124.68 41.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -164.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -94.59 164.26 13.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.051 1.341 . . . . 0.0 109.585 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.54 -39.95 77.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.32 -1.487 . . . . 0.0 113.289 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.09 -43.33 74.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.669 1.188 . . . . 0.0 112.797 171.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -70.51 -27.72 64.4 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.333 -1.479 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.29 -52.25 62.77 Favored 'General case' 0 N--CA 1.43 -1.472 1 C-N-CA 111.097 -4.241 . . . . 0.0 117.856 168.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . 0.263 33.5 ttt-85 -54.3 -23.34 14.76 Favored 'General case' 0 N--CA 1.43 -1.467 2 C-N-CA 109.871 -4.731 . . . . 0.0 121.889 179.849 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -78.17 -39.58 40.4 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.342 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.42 -35.7 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.231 1.832 . . . . 0.0 109.121 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.93 -39.11 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 113.703 -3.199 . . . . 0.0 114.492 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -74.45 -35.63 63.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 113.97 -3.092 . . . . 0.0 113.749 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.7 -5.68 55.67 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -165.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 HG21 ' B' ' 8' ' ' VAL . 28.9 mt -50.79 129.05 22.37 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.103 1.361 . . . . 0.0 112.397 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -74.06 175.04 7.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.161 0.984 . . . . 0.0 110.836 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.2 -40.53 90.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.569 -1.957 . . . . 0.0 109.625 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.43 -42.59 96.4 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 175.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.16 -36.6 82.34 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.944 -1.098 . . . . 0.0 112.344 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.39 -37.97 31.23 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.934 -1.729 . . . . 0.0 110.012 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 120.233 1.379 . . . . 0.0 109.623 170.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.2 m -60.97 -45.48 94.58 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 124.202 1.954 . . . . 0.0 113.113 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.24 -33.91 74.29 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 112.989 -1.914 . . . . 0.0 115.558 169.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.79 -40.61 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 121.235 1.834 . . . . 0.0 110.498 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.2 -42.69 95.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.264 -2.148 . . . . 0.0 114.439 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.96 -50.28 8.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.817 0.818 . . . . 0.0 109.205 -177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -107.94 79.71 1.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.954 1.835 . . . . 0.0 110.86 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.69 -64.07 1.08 Allowed 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.307 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -73.78 -45.65 50.31 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.685 -1.259 . . . . 0.0 110.768 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.48 -61.34 6.01 Favored Glycine 0 N--CA 1.429 -1.783 0 C-N-CA 128.408 2.908 . . . . 0.0 109.956 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.22 -39.26 25.66 Favored 'General case' 0 N--CA 1.428 -1.529 1 C-N-CA 110.166 -4.614 . . . . 0.0 117.33 -172.746 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.95 -41.01 77.5 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.441 1.473 . . . . 0.0 114.001 -171.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.26 -60.37 7.23 Favored Glycine 0 N--CA 1.431 -1.636 0 O-C-N 120.124 -1.61 . . . . 0.0 114.277 170.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.599 HG21 HG23 ' B' ' 12' ' ' ILE . 9.4 m -63.38 -26.92 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.233 -1.745 . . . . 0.0 114.029 -172.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -74.73 -24.61 58.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.169 2.188 . . . . 0.0 114.083 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -60.33 -46.71 88.93 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 116.09 -2.244 . . . . 0.0 112.157 160.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -66.47 -55.42 15.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.058 0.943 . . . . 0.0 111.691 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -46.31 -52.88 11.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.956 1.702 . . . . 0.0 113.913 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.4 -48.98 77.33 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.501 1.521 . . . . 0.0 113.113 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -72.52 -26.37 61.73 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.3 m-85 -82.81 -3.92 57.33 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.717 -1.239 . . . . 0.0 113.539 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -121.59 79.19 1.52 Allowed 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 160.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.01 124.93 51.71 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.644 -2.535 . . . . 0.0 108.257 168.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp . . . . . 0 N--CA 1.43 -1.471 0 O-C-N 120.64 -1.287 . . . . 0.0 112.624 165.532 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 . . . . . 0 N--CA 1.429 -1.502 0 CA-C-O 122.196 0.998 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.56 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 63.8 mmtt -113.75 -149.94 0.46 Allowed 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.872 2.069 . . . . 0.0 105.472 164.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.56 -53.31 7.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.967 -2.333 . . . . 0.0 110.805 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 tt -41.32 -49.5 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 129.315 3.046 . . . . 0.0 117.541 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.45 -37.87 8.34 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 128.309 2.644 . . . . 0.0 115.242 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.6 m -89.22 -38.27 14.37 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.446 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.91 -49.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-O 123.055 1.407 . . . . 0.0 110.869 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -46.39 -58.09 4.05 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 128.592 2.757 . . . . 0.0 114.222 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.4 -20.52 60.72 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -76.53 -35.06 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.197 -2.189 . . . . 0.0 110.541 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -57.54 -52.64 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.717 2.007 . . . . 0.0 112.843 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.292 5.9 p -55.04 -50.35 69.3 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.425 -1.422 . . . . 0.0 114.394 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.622 HG13 HD11 ' B' ' 17' ' ' ILE . 2.9 t -45.56 -53.34 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.253 2.221 . . . . 0.0 115.914 162.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.63 74.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 111.011 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.27 52.5 p -71.33 -17.44 62.44 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 168.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 17' ' ' ILE . 3.2 mm -65.88 -46.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 119.053 -2.28 . . . . 0.0 110.632 170.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -30.92 71.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.594 -1.316 . . . . 0.0 112.048 176.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.254 91.7 mt -76.47 -28.32 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 120.14 -1.6 . . . . 0.0 112.735 173.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -60.93 -45.75 93.45 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 125.592 1.557 . . . . 0.0 111.105 167.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -90.08 4.76 49.36 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 66.97 51.74 0.94 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 123.164 1.459 . . . . 0.0 114.054 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.5 44.95 2.86 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.005 2.522 . . . . 0.0 112.604 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.458 0.0 OUTLIER -62.39 -24.39 67.35 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 169.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -49.66 -7.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 120.168 3.396 . . . . 0.0 120.168 158.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.72 -44.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 O-C-N 120.373 -1.454 . . . . 0.0 109.957 164.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.92 -31.22 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 125.865 1.666 . . . . 0.0 111.025 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 22.8 pt-20 -64.49 -14.97 59.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -121.95 128.41 51.48 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.516 1.126 . . . . 0.0 111.197 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -59.83 3.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.7 1.6 . . . . 0.0 114.479 172.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.15 40.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.57 -1.956 . . . . 0.0 116.14 -170.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -45.98 -40.05 9.84 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.085 1.754 . . . . 0.0 115.154 167.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -68.16 -48.88 64.11 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.64 1.576 . . . . 0.0 113.567 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.47 -40.13 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 128.307 2.643 . . . . 0.0 114.022 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.97 94.4 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.324 -2.11 . . . . 0.0 113.087 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.265 7.8 t80 -58.75 -41.78 87.31 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.76 2.424 . . . . 0.0 111.826 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.91 -51.1 70.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.486 -1.383 . . . . 0.0 113.238 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -20.17 59.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.91 -1.744 . . . . 0.0 115.475 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.19 -56.77 17.54 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.119 -1.613 . . . . 0.0 113.393 163.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.0 pt -87.64 -11.99 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.72 36.07 7.0 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.31 128.14 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 CA-C-N 120.56 2.18 . . . . 0.0 109.46 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -123.76 151.18 43.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.769 1.227 . . . . 0.0 110.192 -169.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.304 17.5 t60 -79.68 -88.09 0.07 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.7 -1.25 . . . . 0.0 114.251 169.586 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -99.15 57.22 1.06 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.425 -2.047 . . . . 0.0 108.476 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.75 0.55 41.72 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -110.85 162.82 14.42 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.251 -2.323 . . . . 0.0 108.473 -171.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.92 140.96 55.13 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 108.555 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.81 138.62 31.41 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.903 -1.748 . . . . 0.0 107.909 -158.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.11 166.95 10.14 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -166.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -76.04 -47.92 22.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 121.09 1.768 . . . . 0.0 114.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -65.58 -42.93 91.18 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -85.98 -12.21 51.0 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.916 -1.74 . . . . 0.0 114.978 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -55.49 -54.62 41.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.508 -1.995 . . . . 0.0 112.754 156.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -58.63 -35.51 72.62 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 120.795 -1.191 . . . . 0.0 113.347 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -61.59 -45.68 93.09 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.326 -1.484 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.325 39.7 pt -59.3 -44.57 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 120.067 -1.646 . . . . 0.0 113.312 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.94 -36.76 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -90.7 -43.35 10.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.256 7.0 pt-20 -81.22 9.63 6.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 122.153 2.251 . . . . 0.0 115.355 -167.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.36 151.33 10.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.763 2.025 . . . . 0.0 112.054 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 p -93.36 169.51 10.32 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 109.136 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -55.8 -35.7 66.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 172.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.97 -44.61 60.9 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 175.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -53.85 -35.31 61.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 120.255 1.389 . . . . 0.0 114.169 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -77.06 -55.96 5.0 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.817 1.647 . . . . 0.0 109.798 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.62 -43.83 0.92 Allowed 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 161.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 m -59.57 -40.51 87.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.658 -1.276 . . . . 0.0 113.432 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.5 -32.1 42.38 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.946 -1.721 . . . . 0.0 112.652 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.37 -41.64 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.3 -2.125 . . . . 0.0 113.04 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -62.5 -44.99 95.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.138 1.532 . . . . 0.0 115.138 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.35 -24.44 20.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.55 -1.344 . . . . 0.0 112.491 -172.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -129.97 71.32 1.45 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.325 -2.11 . . . . 0.0 107.226 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -61.38 -71.18 0.15 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -167.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.64 -34.29 77.52 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.828 1.251 . . . . 0.0 111.451 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.48 -66.14 2.58 Favored Glycine 0 N--CA 1.429 -1.787 0 C-N-CA 125.805 1.669 . . . . 0.0 112.267 -170.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.276 0.8 OUTLIER -71.44 -41.2 69.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 117.01 -1.471 . . . . 0.0 110.584 -173.094 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -48.1 -51.62 23.82 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 121.766 2.075 . . . . 0.0 116.021 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -64.37 4.02 Favored Glycine 0 N--CA 1.43 -1.757 0 O-C-N 119.976 -1.703 . . . . 0.0 114.425 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -16.98 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.492 -2.181 . . . . 0.0 114.633 -176.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -81.68 -15.1 55.56 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.228 -2.17 . . . . 0.0 112.918 176.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -69.77 -43.71 71.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 115.987 -2.285 . . . . 0.0 111.499 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -64.33 -61.45 2.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.902 2.081 . . . . 0.0 108.136 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.77 -35.24 61.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -64.87 0.76 Allowed 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 120.491 1.496 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 ptp -55.36 -22.67 20.49 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.4 m-30 -81.07 -8.15 59.71 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.721 -1.237 . . . . 0.0 112.355 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 t -133.73 37.06 3.29 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.278 1.513 . . . . 0.0 109.327 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -103.86 129.94 51.38 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.903 1.335 . . . . 0.0 108.193 168.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt . . . . . 0 N--CA 1.43 -1.428 0 CA-C-N 114.66 -1.154 . . . . 0.0 112.551 -176.922 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 m120 . . . . . 0 N--CA 1.429 -1.494 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.492 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -135.05 -156.59 0.74 Allowed 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -173.189 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -79.38 -40.8 29.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.995 -2.316 . . . . 0.0 112.382 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.3 -43.27 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.071 2.548 . . . . 0.0 114.04 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -50.15 -45.38 53.17 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.004 2.122 . . . . 0.0 114.872 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -78.14 -42.66 31.07 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.549 0.739 . . . . 0.0 110.181 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.7 -42.06 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 119.31 -2.119 . . . . 0.0 115.079 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' B' ' 12' ' ' ILE 0.361 15.5 ptt180 -72.54 -39.64 67.36 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.051 1.74 . . . . 0.0 115.523 -176.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.259 9.5 pt-20 -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.723 0.773 . . . . 0.0 111.962 167.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 mt -73.05 -31.53 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 O-C-N 118.543 -2.598 . . . . 0.0 113.38 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.5 mt -50.67 -51.77 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.2 -2.812 . . . . 0.0 113.486 166.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -80.96 -23.77 38.57 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.926 -2.359 . . . . 0.0 110.428 -173.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.479 HG13 HD11 ' A' ' 17' ' ' ILE . 2.2 t -66.26 -37.17 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 126.748 2.019 . . . . 0.0 111.245 170.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -7.84 55.57 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.041 -2.912 . . . . 0.0 111.713 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.276 80.5 p -87.27 -25.92 23.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.062 169.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 17' ' ' ILE . 13.3 mm -49.42 -52.53 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 122.545 1.164 . . . . 0.0 112.405 157.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.71 -46.93 88.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.71 -1.244 . . . . 0.0 114.174 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.66 -25.75 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 118.48 -2.638 . . . . 0.0 116.208 169.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -44.08 94.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.018 -2.301 . . . . 0.0 111.381 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.99 -1.5 39.94 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.713 2.005 . . . . 0.0 114.056 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 55.98 46.74 21.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.644 2.378 . . . . 0.0 115.375 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.62 56.83 0.67 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.914 1.685 . . . . 0.0 109.744 169.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.342 0.0 OUTLIER -72.38 -11.46 60.7 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -49.87 -35.03 21.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.375 2.27 . . . . 0.0 115.696 166.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -76.74 -39.07 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 O-C-N 120.582 -1.324 . . . . 0.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.2 -43.29 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.68 1.592 . . . . 0.0 111.701 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 21.5 tt0 -55.19 -24.62 27.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.803 3.241 . . . . 0.0 116.445 175.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.8 113.92 20.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.281 -1.512 . . . . 0.0 111.923 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -42.52 -53.73 4.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 128.921 2.888 . . . . 0.0 113.11 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.22 -16.45 60.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -85.12 -23.3 28.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.416 -2.053 . . . . 0.0 109.469 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -74.4 -49.39 22.8 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.989 1.716 . . . . 0.0 110.855 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.94 -41.01 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 130.111 3.364 . . . . 0.0 112.265 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.15 61.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.204 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.21 -33.83 67.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -41.39 91.88 Favored 'General case' 0 CA--C 1.488 -1.411 0 O-C-N 120.059 -1.65 . . . . 0.0 112.246 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.05 -31.28 69.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.874 -1.766 . . . . 0.0 113.603 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.66 -51.09 53.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.011 1.324 . . . . 0.0 112.76 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 22.2 pt -78.36 -23.68 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.79 31.39 11.27 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 116.609 -2.217 . . . . 0.0 115.772 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.21 124.87 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.963 3.381 . . . . 0.0 107.409 159.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.1 p -113.43 165.78 12.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.492 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.34 9.5 t60 -79.54 -98.86 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.868 163.664 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.3 60.56 0.83 Allowed 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.594 -1.941 . . . . 0.0 109.499 -176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.69 -5.99 59.67 Favored Glycine 0 N--CA 1.431 -1.66 0 O-C-N 120.452 -1.405 . . . . 0.0 114.348 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -103.99 144.57 31.37 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.461 1.905 . . . . 0.0 110.323 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.8 132.89 50.74 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 112.367 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.832 1.301 . . . . 0.0 111.873 -162.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -97.46 164.98 12.22 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.924 1.29 . . . . 0.0 111.909 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.33 -41.76 98.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.964 -1.71 . . . . 0.0 115.01 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -71.07 -41.77 70.27 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.032 -1.667 . . . . 0.0 113.372 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 41.3 m -77.19 -23.63 51.48 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.851 1.26 . . . . 0.0 113.557 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.25 -49.5 73.88 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.436 1.495 . . . . 0.0 110.715 165.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -66.22 -31.05 71.65 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -173.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -60.84 -53.1 61.51 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.815 -1.178 . . . . 0.0 113.363 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.333 31.3 pt -52.07 -47.38 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.899 -1.126 . . . . 0.0 113.967 -178.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.78 -48.97 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 65.4 m -74.06 -48.29 30.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.081 -1.637 . . . . 0.0 114.288 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.54 6.48 12.36 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -164.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.75 147.12 9.28 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.243 1.417 . . . . 0.0 112.934 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 70.8 p -83.3 171.88 13.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.788 -1.195 . . . . 0.0 110.258 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.61 -44.2 96.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.653 -1.279 . . . . 0.0 110.852 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.45 -26.23 65.4 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.64 -37.64 70.84 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.784 -1.822 . . . . 0.0 112.041 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -76.42 -41.95 45.91 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.438 -1.414 . . . . 0.0 110.304 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.26 62.17 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.442 1.497 . . . . 0.0 113.162 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.6 m -58.96 -40.88 86.06 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 121.758 0.789 . . . . 0.0 112.603 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.84 -44.16 67.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.424 -1.423 . . . . 0.0 111.858 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.39 -44.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.18 -1.575 . . . . 0.0 113.917 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.88 -42.95 94.87 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.929 2.091 . . . . 0.0 115.354 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -100.57 -42.4 6.57 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.741 -1.225 . . . . 0.0 113.151 -171.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -103.22 47.11 0.89 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.32 -2.112 . . . . 0.0 108.798 -169.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -44.41 -68.39 0.2 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 127.361 2.265 . . . . 0.0 114.816 -165.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.65 -58.94 6.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.174 2.19 . . . . 0.0 115.454 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.7 -40.97 51.89 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.861 -1.15 . . . . 0.0 114.493 -168.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.316 0.3 OUTLIER -73.06 -40.5 65.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.167 -1.396 . . . . 0.0 110.6 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.56 -54.72 3.81 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 122.748 2.522 . . . . 0.0 115.632 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.99 -64.73 3.82 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.893 -1.129 . . . . 0.0 115.214 171.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -68.61 -22.88 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.734 -2.627 . . . . 0.0 114.765 -171.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -75.28 -19.42 59.7 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.296 -2.128 . . . . 0.0 113.27 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -61.23 -44.33 97.44 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.794 -1.816 . . . . 0.0 111.357 162.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.53 -46.59 66.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.77 1.628 . . . . 0.0 109.804 -175.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.75 -25.97 61.38 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.886 -1.759 . . . . 0.0 113.011 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -82.99 -37.66 23.7 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.479 1.036 . . . . 0.0 110.237 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -75.82 -29.48 58.68 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.526 -1.359 . . . . 0.0 113.377 -170.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.457 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 22.8 m-85 -87.03 -1.63 58.02 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.905 -1.747 . . . . 0.0 111.14 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.287 6.5 t -139.25 54.16 1.72 Allowed 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.718 -1.239 . . . . 0.0 110.557 172.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -80.25 127.29 32.18 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 154.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.43 -1.462 0 O-C-N 120.323 -1.486 . . . . 0.0 107.424 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 . . . . . 0 N--CA 1.43 -1.473 0 CA-C-O 122.221 1.01 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.571 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -110.47 145.57 37.43 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.53 1.932 . . . . 0.0 107.081 171.254 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -91.84 -48.78 6.6 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.881 1.324 . . . . 0.0 110.433 -169.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.65 -45.8 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.353 2.661 . . . . 0.0 115.195 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -46.8 69.92 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.877 2.471 . . . . 0.0 112.493 174.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -72.08 -25.62 61.84 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.961 -1.712 . . . . 0.0 113.122 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.53 -32.47 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.269 -2.145 . . . . 0.0 111.725 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -73.01 -47.81 41.79 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.802 2.441 . . . . 0.0 113.167 -172.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.41 -45.72 92.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.082 -1.636 . . . . 0.0 114.298 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' CG1' HG11 ' A' ' 42' ' ' VAL . 20.9 mt -66.94 -27.32 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.709 -1.869 . . . . 0.0 113.813 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.549 HG23 HG21 ' A' ' 80' ' ' VAL . 17.2 mt -56.72 -52.41 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 119.817 -1.802 . . . . 0.0 111.601 167.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -59.69 -43.94 93.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.166 -1.584 . . . . 0.0 114.397 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 17' ' ' ILE . 3.2 t -55.16 -44.35 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.875 2.47 . . . . 0.0 114.089 173.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.26 74.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.129 -2.232 . . . . 0.0 112.566 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 p -62.56 -29.88 70.9 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 HG21 ' B' ' 17' ' ' ILE . 43.5 mm -54.53 -52.98 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.382 1.473 . . . . 0.0 112.222 168.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.32 -42.87 92.42 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.334 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.39 -33.86 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.035 -1.666 . . . . 0.0 114.037 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -53.96 -37.32 63.81 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.767 -1.833 . . . . 0.0 114.016 167.021 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -95.69 9.15 41.33 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.509 1.924 . . . . 0.0 114.052 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 59.62 36.44 22.61 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -108.66 54.05 0.67 Allowed 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.098 -2.251 . . . . 0.0 112.111 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.279 0.0 OUTLIER -71.18 -13.41 61.92 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.139 1.904 . . . . 0.0 116.139 178.369 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -44.44 -42.48 7.05 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.189 2.596 . . . . 0.0 116.598 164.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 mt -72.94 -42.54 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.681 -1.262 . . . . 0.0 110.594 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.26 -44.4 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 126.418 1.887 . . . . 0.0 112.849 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 5.5 pt-20 -58.29 -11.93 3.21 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 120.889 3.663 . . . . 0.0 120.889 -170.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -129.09 120.26 25.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.496 -1.377 . . . . 0.0 110.41 175.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.78 -52.17 14.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.886 2.074 . . . . 0.0 114.792 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.39 -46.59 89.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.91 -1.744 . . . . 0.0 114.983 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.97 -32.91 73.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -65.31 -48.85 71.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.169 2.187 . . . . 0.0 112.59 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.3 mt -51.19 -42.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 128.425 2.69 . . . . 0.0 114.319 169.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.06 71.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.916 1.286 . . . . 0.0 109.344 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.04 -40.39 70.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.369 2.268 . . . . 0.0 115.809 168.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.95 -36.65 72.85 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.391 -2.068 . . . . 0.0 113.475 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.49 -1.381 . . . . 0.0 113.856 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.37 -54.56 9.08 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.293 1.037 . . . . 0.0 113.489 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -11.76 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 121.25 -0.906 . . . . 0.0 112.568 -171.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.26 25.28 12.73 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 170.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.3 t -71.55 112.15 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 119.903 1.852 . . . . 0.0 111.455 171.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -102.25 156.54 17.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.824 -1.172 . . . . 0.0 108.295 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.264 23.0 t60 -80.03 -96.07 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.746 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.57 51.92 1.19 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.39 1.567 . . . . 0.0 110.43 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.18 -6.23 80.25 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 126.594 2.045 . . . . 0.0 114.186 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -114.77 157.28 23.44 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.524 1.53 . . . . 0.0 113.492 -169.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -65.58 135.56 55.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.855 1.262 . . . . 0.0 111.687 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.24 129.76 34.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.406 1.574 . . . . 0.0 113.737 -165.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -96.66 155.3 16.83 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.855 2.062 . . . . 0.0 111.598 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.11 -39.11 86.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.457 -1.402 . . . . 0.0 114.328 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -69.18 -45.86 68.93 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.406 -1.434 . . . . 0.0 113.657 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m -76.38 -18.78 58.69 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.246 1.418 . . . . 0.0 113.386 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.03 -49.11 73.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.464 1.506 . . . . 0.0 111.446 165.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.73 -22.49 60.87 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.925 -1.734 . . . . 0.0 112.137 -170.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -66.47 -52.91 41.13 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 120.346 1.43 . . . . 0.0 114.225 163.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 41.3 pt -50.79 -47.26 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 126.22 1.808 . . . . 0.0 114.106 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.31 -49.21 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.444 -1.41 . . . . 0.0 114.505 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -84.03 -33.37 24.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -85.77 5.42 32.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 121.912 2.142 . . . . 0.0 116.108 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -58.86 148.26 30.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.928 -1.732 . . . . 0.0 113.249 -166.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.9 p -75.3 168.16 20.52 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.664 -1.898 . . . . 0.0 109.378 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.25 -43.75 95.84 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.218 -1.551 . . . . 0.0 111.45 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -61.84 -37.28 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.99 -41.8 95.08 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.904 1.282 . . . . 0.0 112.149 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -74.27 -41.09 61.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.493 -2.004 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -61.87 -31.18 71.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.07 1.348 . . . . 0.0 112.232 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.8 m -62.06 -44.53 96.49 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-O 121.97 0.891 . . . . 0.0 112.796 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.39 -45.35 84.37 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 111.357 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.57 -39.34 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.439 -1.413 . . . . 0.0 114.363 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -61.07 -37.94 84.44 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.763 -1.836 . . . . 0.0 115.516 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -103.47 -28.07 12.01 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -118.5 49.42 1.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.084 -1.635 . . . . 0.0 109.82 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -39.43 -69.4 0.13 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -174.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.86 -30.81 59.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.621 1.568 . . . . 0.0 112.336 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -68.84 -57.65 7.67 Favored Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 126.294 1.902 . . . . 0.0 111.084 -171.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.356 0.3 OUTLIER -70.52 -48.53 55.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 116.157 -1.878 . . . . 0.0 109.507 -178.55 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -42.42 -50.93 5.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 123.813 3.006 . . . . 0.0 118.002 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.8 -53.59 11.36 Favored Glycine 0 N--CA 1.43 -1.727 0 O-C-N 120.391 -1.443 . . . . 0.0 114.555 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 76' ' ' GLY . 19.5 m -72.7 -19.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 119.16 -2.376 . . . . 0.0 112.497 -172.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -74.74 -26.57 59.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.473 -1.392 . . . . 0.0 112.587 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -64.82 -33.9 77.1 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.812 -1.805 . . . . 0.0 111.522 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.65 -64.23 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.72 -22.2 4.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.1 -48.72 17.0 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.77 -1.206 . . . . 0.0 111.104 174.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.5 ptp -77.77 -18.23 56.67 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.051 -1.655 . . . . 0.0 113.669 -171.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -88.11 -5.53 58.4 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.393 1.477 . . . . 0.0 111.815 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -142.66 84.88 1.87 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.067 -1.021 . . . . 0.0 111.077 174.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -121.69 98.07 5.79 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.152 -1.592 . . . . 0.0 107.989 167.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 N--CA 1.43 -1.431 0 O-C-N 120.83 -1.169 . . . . 0.0 108.369 176.312 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 N--CA 1.43 -1.472 0 CA-C-O 121.941 0.876 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.518 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 2.2 mppt? -111.65 151.68 28.54 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.01 -59.5 2.74 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.312 -1.492 . . . . 0.0 109.783 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.431 HG23 ' N ' ' B' ' 6' ' ' ASP . 11.8 tt -46.53 -47.47 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.431 ' N ' HG23 ' B' ' 5' ' ' ILE . 1.6 m-20 -60.49 -42.63 96.73 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 125.589 1.556 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -63.95 -42.16 97.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.44 -1.413 . . . . 0.0 114.218 170.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.12 -44.39 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.114 -2.242 . . . . 0.0 112.152 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -52.78 -55.26 24.18 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 130.975 3.71 . . . . 0.0 112.535 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.93 -34.32 77.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.593 -1.942 . . . . 0.0 114.817 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -70.29 -38.62 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 119.957 -1.714 . . . . 0.0 111.405 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -51.09 -45.8 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 127.513 2.325 . . . . 0.0 115.066 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -72.66 -38.17 67.72 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 17' ' ' ILE . 41.5 t -55.96 -41.65 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 125.301 1.44 . . . . 0.0 114.659 161.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.92 85.16 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.669 -1.895 . . . . 0.0 112.392 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.6 p -70.56 -13.53 62.14 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.798 -1.814 . . . . 0.0 115.522 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 14' ' ' VAL . 6.4 mm -62.97 -50.39 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.485 -1.384 . . . . 0.0 111.281 163.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mp -64.0 -36.19 83.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.127 -1.608 . . . . 0.0 112.74 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.47 -28.43 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.458 -1.401 . . . . 0.0 112.931 175.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -38.92 90.08 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.925 1.29 . . . . 0.0 112.157 167.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -92.18 8.29 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.209 -1.557 . . . . 0.0 115.112 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 66.98 34.12 5.38 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.546 1.538 . . . . 0.0 113.803 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -114.12 41.56 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.253 1.821 . . . . 0.0 112.344 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.435 0.0 OUTLIER -59.32 -24.46 63.34 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 170.635 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -35.53 -42.59 0.23 Allowed 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 157.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -74.57 -45.73 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.417 -1.427 . . . . 0.0 111.184 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.1 -33.59 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 127.242 2.217 . . . . 0.0 112.92 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 8.6 pt-20 -70.62 -14.33 62.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -119.56 117.83 29.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.344 1.057 . . . . 0.0 109.932 173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -50.62 -43.13 56.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.281 1.433 . . . . 0.0 112.316 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.6 63.46 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -79.27 -38.94 34.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.696 -1.877 . . . . 0.0 109.07 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -55.99 -53.52 55.86 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.407 1.483 . . . . 0.0 112.636 171.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -52.58 -44.97 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 127.736 2.414 . . . . 0.0 114.159 173.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.13 -30.33 70.31 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -79.47 -37.44 36.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.964 1.306 . . . . 0.0 108.978 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.49 -50.18 73.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.978 1.311 . . . . 0.0 111.867 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -59.29 -43.52 92.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.96 -60.17 3.18 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.33 1.052 . . . . 0.0 113.029 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.52 45.76 5.42 Favored Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.565 -1.959 . . . . 0.0 116.666 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.33 131.39 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 118.921 1.361 . . . . 0.0 110.001 163.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.5 p -131.32 145.67 51.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.796 -1.19 . . . . 0.0 113.29 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.518 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.304 33.2 t60 -70.47 -84.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.526 -1.984 . . . . 0.0 114.208 167.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -96.21 42.54 1.09 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.284 -1.51 . . . . 0.0 111.057 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 23.76 72.82 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 119.793 -1.817 . . . . 0.0 115.263 -169.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -133.64 167.36 20.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.46 143.04 53.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.187 -1.571 . . . . 0.0 112.818 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.96 125.34 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.084 0.945 . . . . 0.0 109.565 -168.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -101.66 167.72 9.93 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.192 1.397 . . . . 0.0 113.491 -167.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.93 -48.12 82.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.917 2.087 . . . . 0.0 113.778 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -70.2 -58.43 3.79 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.639 1.576 . . . . 0.0 112.774 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -59.89 -28.25 67.4 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.9 -2.375 . . . . 0.0 117.035 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -52.94 -58.29 7.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-O 124.268 1.985 . . . . 0.0 113.305 162.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -63.72 -14.73 54.95 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.007 -1.683 . . . . 0.0 114.442 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER -81.93 -50.96 8.57 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 116.635 -2.026 . . . . 0.0 109.031 170.129 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.288 28.9 pt -53.79 -50.54 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 120.227 -1.546 . . . . 0.0 114.633 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.24 -34.19 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -77.09 -50.73 12.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.27 6.2 pt-20 -87.12 10.67 15.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -161.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.33 142.82 7.03 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.3 -1.5 . . . . 0.0 113.393 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -84.65 175.36 9.27 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -175.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.6 -44.46 93.95 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.616 -1.303 . . . . 0.0 110.201 172.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.19 -46.72 79.29 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -61.97 -30.55 71.0 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.06 -37.1 34.61 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.573 -1.329 . . . . 0.0 109.021 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -64.39 -39.27 93.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.126 -1.608 . . . . 0.0 111.005 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -53.2 -47.72 68.68 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.295 1.438 . . . . 0.0 113.139 171.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.06 -35.98 72.12 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.335 -2.103 . . . . 0.0 113.037 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -41.81 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.882 -1.761 . . . . 0.0 114.12 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.68 -38.33 76.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.87 -20.9 20.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -138.51 64.63 1.49 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.523 -1.986 . . . . 0.0 107.148 -168.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.29 -65.81 0.59 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.558 -1.964 . . . . 0.0 114.663 -161.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -56.14 -57.08 13.72 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.05 1.74 . . . . 0.0 114.414 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.91 -56.73 22.46 Favored Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 125.849 1.69 . . . . 0.0 114.091 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.3 8.2 t80 -76.94 -27.07 54.7 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 118.175 0.988 . . . . 0.0 111.761 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -52.71 -60.22 3.52 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 122.598 2.454 . . . . 0.0 114.245 169.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -59.76 9.0 Favored Glycine 0 N--CA 1.431 -1.688 0 O-C-N 121.213 -0.929 . . . . 0.0 114.537 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.7 m -68.25 -21.41 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.357 -2.26 . . . . 0.0 114.901 -173.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.51 -14.13 57.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.402 -2.061 . . . . 0.0 113.444 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -68.15 -37.47 81.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.591 -2.568 . . . . 0.0 111.912 161.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.08 -64.4 0.88 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.128 2.171 . . . . 0.0 108.337 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.3 mt -49.61 -47.28 49.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.955 -1.716 . . . . 0.0 112.708 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.04 -37.97 84.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.291 17.3 ptp -74.96 -29.74 61.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 124.149 1.928 . . . . 0.0 111.062 -172.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.7 m-85 -83.36 -0.15 48.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.715 -1.241 . . . . 0.0 112.93 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.397 4.8 t -151.23 51.7 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.573 1.178 . . . . 0.0 110.981 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.13 101.9 9.06 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 121.083 -1.01 . . . . 0.0 110.524 150.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.43 -1.427 0 C-N-CA 123.868 0.867 . . . . 0.0 109.116 173.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.9 m120 . . . . . 0 N--CA 1.431 -1.425 0 CA-C-O 121.871 0.843 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -111.15 -132.04 0.32 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.514 -1.366 . . . . 0.0 111.279 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.504 HD22 ' HA ' ' A' ' 57' ' ' ILE . 2.9 m120 -64.42 -46.62 82.44 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.13 2.972 . . . . 0.0 113.14 170.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.34 -45.39 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 130.588 3.555 . . . . 0.0 115.606 -170.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -64.92 -35.7 81.99 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -66.99 -39.6 87.2 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.565 1.146 . . . . 0.0 110.197 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.99 -46.09 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.497 -1.377 . . . . 0.0 112.775 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -49.96 -47.04 52.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.94 2.096 . . . . 0.0 114.784 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.05 -37.51 87.82 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 123.503 1.621 . . . . 0.0 113.751 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.37 -21.83 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 118.963 -2.335 . . . . 0.0 112.499 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.67 -46.91 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 128.178 2.591 . . . . 0.0 112.11 168.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.469 HG21 HG22 ' B' ' 42' ' ' VAL . 17.1 p -66.62 -55.17 16.53 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.608 -1.308 . . . . 0.0 111.128 -178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 HD11 ' B' ' 17' ' ' ILE . 54.4 t -42.2 -48.08 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 165.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.56 56.95 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 116.623 -3.798 . . . . 0.0 111.42 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -82.04 -11.23 58.92 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.038 -1.664 . . . . 0.0 112.302 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.575 HG21 HG21 ' B' ' 17' ' ' ILE . 4.9 mm -68.24 -49.35 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 123.805 1.764 . . . . 0.0 107.868 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 5.8 mt -57.76 -42.3 83.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.541 -1.663 . . . . 0.0 112.534 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mt -71.66 -26.37 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.077 -2.264 . . . . 0.0 112.552 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -41.49 86.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.888 1.222 . . . . 0.0 110.616 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.41 -10.44 43.86 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t 70.9 46.39 0.49 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 126.584 1.953 . . . . 0.0 111.074 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -108.49 51.16 0.75 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.107 2.163 . . . . 0.0 106.753 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -73.98 -16.45 61.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.085 -1.635 . . . . 0.0 114.818 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -35.83 -49.64 0.62 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.289 3.036 . . . . 0.0 117.937 160.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.95 -45.19 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 124.183 0.993 . . . . 0.0 109.87 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.22 -39.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.716 1.606 . . . . 0.0 113.296 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 34.0 tt0 -63.6 -17.75 63.19 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.8 3.24 . . . . 0.0 118.247 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -126.23 127.73 46.1 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.544 -1.972 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -46.52 -60.9 2.07 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.633 2.373 . . . . 0.0 114.942 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.3 -25.08 59.36 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.678 -1.264 . . . . 0.0 112.68 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.5 -26.85 55.71 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.981 -1.074 . . . . 0.0 110.291 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.25 -50.15 23.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.148 1.779 . . . . 0.0 112.316 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -55.9 -35.91 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.273 1.829 . . . . 0.0 114.976 172.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.21 90.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.806 1.289 . . . . 0.0 111.996 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.4 t80 -61.53 -32.73 72.79 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.136 2.174 . . . . 0.0 113.041 171.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.3 -34.95 75.48 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.792 -1.817 . . . . 0.0 112.332 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -73.73 -22.7 59.81 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.175 -1.578 . . . . 0.0 111.73 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -74.55 -63.69 1.19 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.393 1.877 . . . . 0.0 114.816 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -18.03 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.486 -1.384 . . . . 0.0 109.942 -175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.97 26.41 11.53 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 157.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG22 HG21 ' B' ' 13' ' ' THR . 21.5 t -71.68 120.93 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-O 122.254 1.026 . . . . 0.0 109.461 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.8 p -108.0 155.16 20.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.921 1.288 . . . . 0.0 110.213 -168.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.269 21.6 t60 -84.43 -89.82 0.1 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.06 -1.025 . . . . 0.0 111.774 165.422 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 40.9 mt-10 -91.66 42.31 1.1 Allowed 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 118.973 -2.329 . . . . 0.0 111.354 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.4 -3.55 86.08 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.585 -1.322 . . . . 0.0 112.55 -174.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -117.93 163.64 16.25 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.41 146.19 52.24 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.6 1.19 . . . . 0.0 112.785 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 128.64 34.66 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 123.254 1.502 . . . . 0.0 113.044 -171.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -91.89 155.62 18.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.631 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.69 -33.09 70.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -76.48 -46.79 25.3 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 117.337 -3.352 . . . . 0.0 108.936 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -68.7 -19.28 64.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.647 2.476 . . . . 0.0 116.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -68.9 -44.45 73.14 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.994 1.378 . . . . 0.0 112.105 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -66.03 -24.25 66.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.519 -1.363 . . . . 0.0 111.536 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.315 28.0 pttt -71.54 -44.8 63.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 169.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' HA ' HD22 ' A' ' 4' ' ' ASN 0.368 9.6 pt -58.18 -45.49 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 178.622 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 HG21 ' A' ' 88' ' ' THR . 27.9 m -79.85 -38.46 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -92.31 -40.68 10.8 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.1 2.01 14.08 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.889 2.132 . . . . 0.0 115.919 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.32 137.59 6.22 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.107 2.163 . . . . 0.0 115.619 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.1 p -76.99 171.63 14.49 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 122.257 1.027 . . . . 0.0 111.541 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -74.87 -27.95 60.46 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.059 -1.651 . . . . 0.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.14 -41.27 81.9 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.846 167.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.12 -30.13 68.33 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 123.582 2.901 . . . . 0.0 113.318 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.35 -48.51 67.28 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.746 -1.221 . . . . 0.0 110.73 168.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.16 -27.52 65.74 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 120.986 1.721 . . . . 0.0 111.092 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -72.37 -41.93 65.81 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.281 -1.512 . . . . 0.0 112.669 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.03 -32.67 70.93 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 121.609 2.004 . . . . 0.0 111.109 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.29 -44.56 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.836 1.654 . . . . 0.0 113.016 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.25 -48.72 78.13 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.139 -1.6 . . . . 0.0 115.091 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -73.59 -35.41 65.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -174.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.01 77.28 1.75 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.776 -1.828 . . . . 0.0 114.309 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -53.83 -70.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -71.29 -41.9 69.38 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.918 -1.114 . . . . 0.0 112.922 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.51 -62.08 6.67 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 117.727 1.851 . . . . 0.0 117.727 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.22 -27.86 62.8 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.333 2.566 . . . . 0.0 110.791 -172.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.07 -58.51 7.04 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.156 -2.215 . . . . 0.0 114.085 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.08 -66.82 2.31 Favored Glycine 0 N--CA 1.431 -1.695 0 N-CA-C 115.196 0.838 . . . . 0.0 115.196 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 0.0 OUTLIER -64.96 -28.15 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.689 -2.654 . . . . 0.0 116.9 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.65 -15.86 60.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.374 2.352 . . . . 0.0 112.973 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -67.88 -43.14 80.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.478 -2.639 . . . . 0.0 113.956 167.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.17 -58.85 6.62 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 109.684 -3.417 . . . . 0.0 112.134 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.67 -43.63 80.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.083 -2.26 . . . . 0.0 115.192 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.62 -43.81 88.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 113.025 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.2 ptp -79.87 -30.39 40.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.062 1.301 . . . . 0.0 114.133 -169.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -75.74 5.72 5.86 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 58' ' ' VAL 0.35 0.2 OUTLIER -134.03 59.04 1.75 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.097 -1.627 . . . . 0.0 108.12 171.661 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.97 125.55 51.65 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -174.164 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 m120 . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.598 ' HG3' HG22 ' B' ' 5' ' ' ILE . 3.4 ptmm? -128.45 -162.61 1.2 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.12 1.768 . . . . 0.0 111.266 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.73 -47.61 82.81 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.867 -1.771 . . . . 0.0 111.072 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.598 HG22 ' HG3' ' B' ' 3' ' ' LYS . 9.1 tt -56.51 -37.18 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -59.49 -47.64 84.72 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.444 1.897 . . . . 0.0 112.428 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -67.27 -42.16 84.31 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.521 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.75 -50.17 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 124.515 1.126 . . . . 0.0 113.056 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.25 8.0 ttt180 -53.4 -43.33 67.81 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.881 2.472 . . . . 0.0 116.724 174.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.49 -43.09 95.23 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.945 -1.722 . . . . 0.0 112.959 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 mt -70.72 -30.25 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.581 -1.324 . . . . 0.0 112.306 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -57.96 -52.92 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 126.696 1.998 . . . . 0.0 112.251 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' THR . . . . . 0.488 HG21 HG22 ' A' ' 42' ' ' VAL . 13.6 p -69.61 -41.0 76.28 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.05 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.412 HG13 HD11 ' A' ' 17' ' ' ILE 0.258 3.6 t -49.78 -41.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.504 1.921 . . . . 0.0 115.287 167.763 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -23.11 33.85 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.297 -2.127 . . . . 0.0 111.444 -172.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.7 p -72.24 -23.11 61.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.808 1.243 . . . . 0.0 114.025 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.59 HD11 HG13 ' A' ' 14' ' ' VAL . 3.0 mm -59.52 -47.63 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 124.733 1.213 . . . . 0.0 109.857 166.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.42 -32.66 73.55 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.279 27.0 mt -70.01 -35.65 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 120.644 -1.285 . . . . 0.0 113.769 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -42.63 77.09 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.866 -1.771 . . . . 0.0 114.945 168.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -88.26 7.75 30.63 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t 64.69 42.48 4.68 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.557 -1.339 . . . . 0.0 114.089 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -126.5 45.05 2.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.398 1.571 . . . . 0.0 110.317 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.385 0.0 OUTLIER -65.36 -17.5 64.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.041 175.256 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.83 -15.65 43.65 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.69 -58.48 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.527 1.131 . . . . 0.0 108.824 164.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -55.15 -38.44 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 128.057 2.543 . . . . 0.0 113.604 -173.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.74 -11.91 14.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.646 3.179 . . . . 0.0 117.226 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -127.49 117.21 21.66 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.229 -1.545 . . . . 0.0 110.787 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -39.66 -49.21 2.22 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.082 2.553 . . . . 0.0 114.751 171.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.18 -32.8 24.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.968 -1.708 . . . . 0.0 111.745 -166.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -74.18 -29.13 61.62 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.716 0.77 . . . . 0.0 112.124 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -60.83 -54.05 49.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.473 1.509 . . . . 0.0 112.94 170.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' B' ' 54' ' ' PHE . 47.7 mt -51.15 -39.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.724 2.81 . . . . 0.0 114.749 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.58 94.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.748 -1.845 . . . . 0.0 112.217 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.257 8.4 t80 -66.67 -34.41 77.8 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.914 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.24 -34.87 75.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.543 -1.973 . . . . 0.0 112.734 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.21 -40.72 74.39 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.358 -1.464 . . . . 0.0 109.72 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.42 -52.58 37.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.848 2.059 . . . . 0.0 114.912 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.443 HD11 HG23 ' B' ' 42' ' ' VAL 0.253 0.1 OUTLIER -86.3 -24.4 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.406 -1.434 . . . . 0.0 112.641 179.445 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 51.04 2.72 Favored Glycine 0 N--CA 1.431 -1.694 0 O-C-N 121.346 -0.846 . . . . 0.0 113.755 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 13' ' ' THR . 21.1 t -85.98 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 162.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.4 p -123.27 148.21 46.15 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.156 -1.383 . . . . 0.0 110.168 -169.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -75.08 -104.35 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.187 -0.946 . . . . 0.0 111.188 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.72 45.43 0.59 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.067 -2.27 . . . . 0.0 112.366 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.53 8.43 87.75 Favored Glycine 0 N--CA 1.43 -1.734 0 O-C-N 119.974 -1.704 . . . . 0.0 113.751 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -105.71 167.81 9.52 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.797 1.239 . . . . 0.0 113.038 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -76.93 120.91 22.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.778 -1.827 . . . . 0.0 110.373 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 121.94 21.97 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -173.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.29 165.51 12.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.794 -1.191 . . . . 0.0 110.313 -172.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.52 -40.95 73.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.209 -1.557 . . . . 0.0 114.013 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -64.82 -48.67 73.53 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.245 -0.909 . . . . 0.0 110.517 172.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 m -74.72 -22.09 59.02 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' B' ' 34' ' ' ILE . 62.0 t80 -58.85 -49.1 78.99 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.759 -2.463 . . . . 0.0 114.553 162.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -64.96 -31.95 73.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.216 -1.553 . . . . 0.0 113.114 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.363 32.4 pttt -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 168.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.281 18.3 pt -59.25 -50.74 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.983 -1.698 . . . . 0.0 113.614 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.63 -41.01 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -173.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -68.0 -58.44 4.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.302 7.5 pt-20 -79.54 11.84 2.85 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -162.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.89 135.65 41.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.845 -1.784 . . . . 0.0 111.916 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -76.13 173.89 10.75 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.476 -1.39 . . . . 0.0 111.063 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.932 -1.73 . . . . 0.0 110.929 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -84.21 -27.09 28.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.46 -33.78 54.58 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.204 -1.56 . . . . 0.0 112.705 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -67.94 -54.1 21.26 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.368 1.467 . . . . 0.0 109.933 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.81 -42.44 0.59 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.793 2.037 . . . . 0.0 114.88 163.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 45.3 m -69.82 -37.07 76.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 123.544 1.64 . . . . 0.0 113.012 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.38 -34.1 74.03 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.901 -1.124 . . . . 0.0 113.923 172.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.96 -43.17 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.866 -1.146 . . . . 0.0 111.91 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -55.81 -58.52 7.52 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.159 1.384 . . . . 0.0 113.123 172.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -16.59 34.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.82 52.64 1.98 Allowed 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 118.811 -2.43 . . . . 0.0 114.079 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -39.77 -69.23 0.13 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.078 3.362 . . . . 0.0 120.078 -176.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -56.2 -51.98 66.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.663 1.585 . . . . 0.0 113.027 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.47 -53.23 10.44 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.262 1.41 . . . . 0.0 111.644 -169.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.258 1.0 OUTLIER -74.59 -38.4 62.64 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 115.801 -2.047 . . . . 0.0 109.166 -171.038 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -57.45 -46.69 83.32 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 124.523 3.329 . . . . 0.0 114.907 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -58.36 11.89 Favored Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 121.685 2.039 . . . . 0.0 115.071 172.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.74 -23.58 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.987 -1.89 . . . . 0.0 114.095 -173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -76.98 -20.56 55.94 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.541 -1.974 . . . . 0.0 113.84 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -57.83 -50.92 71.66 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 122.595 2.452 . . . . 0.0 112.437 154.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.32 -61.91 1.94 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.4 ' O ' HG22 ' B' ' 88' ' ' THR . 94.0 mt -43.03 -54.82 4.1 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 170.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.82 -49.6 72.82 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.7 ptp -65.39 -33.81 76.84 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.95 0.06 33.02 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.4 HG22 ' O ' ' B' ' 84' ' ' LEU . 1.7 t -131.99 46.88 2.59 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.589 1.185 . . . . 0.0 110.179 173.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -87.62 130.07 34.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.995 -1.691 . . . . 0.0 108.324 167.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt . . . . . 0 N--CA 1.43 -1.437 0 O-C-N 120.327 -1.483 . . . . 0.0 107.572 177.023 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -119.25 142.06 48.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 122.323 2.329 . . . . 0.0 108.561 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -83.02 -39.4 21.32 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.56 -1.337 . . . . 0.0 114.272 -164.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -52.16 -51.23 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.687 2.395 . . . . 0.0 115.968 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -65.97 -31.16 71.91 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 m -66.1 -36.55 83.47 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.869 -1.144 . . . . 0.0 111.443 172.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.5 -38.29 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 121.032 -1.042 . . . . 0.0 109.41 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -68.5 -49.81 56.85 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.349 2.26 . . . . 0.0 111.419 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.61 -51.48 55.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.709 -2.041 . . . . 0.0 113.304 171.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -74.55 -26.59 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.028 -1.67 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.41 -52.22 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 118.651 -2.53 . . . . 0.0 114.391 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.252 16.0 p -55.71 -47.25 77.17 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 175.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -56.34 -43.46 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 126.196 1.798 . . . . 0.0 115.152 170.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.79 -38.38 64.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 118.391 -2.693 . . . . 0.0 112.751 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.5 p -63.46 -24.48 67.85 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 171.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' B' ' 17' ' ' ILE . 2.0 mm -54.22 -50.69 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.379 0 CA-C-O 124.05 1.881 . . . . 0.0 113.505 164.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.43 -44.34 95.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 113.185 -1.825 . . . . 0.0 109.618 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.69 -38.1 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 118.219 -2.8 . . . . 0.0 113.299 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -36.98 5.76 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.342 2.792 . . . . 0.0 116.784 167.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -94.18 4.95 53.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.652 2.381 . . . . 0.0 115.978 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t 57.42 41.31 26.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.049 2.139 . . . . 0.0 114.904 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -104.82 51.67 0.76 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.412 1.885 . . . . 0.0 112.304 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -15.98 55.3 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.042 -1.661 . . . . 0.0 111.42 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.42 -20.08 6.82 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 158.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -83.55 -46.0 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.961 2.164 . . . . 0.0 106.493 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.97 -34.34 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 126.03 1.732 . . . . 0.0 111.968 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.6 pt-20 -58.95 -23.8 61.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.66 119.22 37.34 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.296 1.038 . . . . 0.0 112.658 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -44.83 -57.33 3.81 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.464 2.706 . . . . 0.0 114.713 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.61 67.24 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.824 -1.173 . . . . 0.0 114.112 -172.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -58.96 -32.94 70.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.86 -50.09 58.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.815 1.246 . . . . 0.0 113.35 170.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.51 -35.79 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 127.118 2.167 . . . . 0.0 114.029 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.39 65.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.765 1.745 . . . . 0.0 108.631 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -55.43 -42.71 74.57 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 113.064 -1.88 . . . . 0.0 115.356 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.86 -37.4 71.25 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.884 -1.135 . . . . 0.0 113.583 171.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -74.39 -32.66 62.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.629 -1.919 . . . . 0.0 114.217 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -63.95 -48.91 74.66 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.122 -1.611 . . . . 0.0 112.5 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 pt -87.5 -19.96 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.758 -1.214 . . . . 0.0 113.842 -176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.66 47.49 7.24 Favored Glycine 0 N--CA 1.431 -1.698 0 CA-C-O 117.653 -1.637 . . . . 0.0 116.876 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.25 128.21 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.619 3.71 . . . . 0.0 108.279 164.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -110.59 146.31 36.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.04 0.936 . . . . 0.0 111.924 -167.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 30.4 t60 -87.89 -81.04 0.25 Allowed 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.57 -1.331 . . . . 0.0 109.301 169.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -89.17 37.68 0.86 Allowed 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.475 -1.39 . . . . 0.0 114.448 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.59 -1.83 60.43 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 121.349 -0.844 . . . . 0.0 113.001 -166.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.253 48.4 mtt85 -119.96 164.97 15.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.395 -2.827 . . . . 0.0 111.624 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -78.29 147.65 34.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.321 -1.487 . . . . 0.0 110.289 -167.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.6 124.68 39.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.978 1.847 . . . . 0.0 113.076 -152.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -99.28 169.29 9.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.971 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -71.56 -43.82 65.65 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.089 -1.632 . . . . 0.0 114.694 -174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -65.45 -40.2 92.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 123.989 1.852 . . . . 0.0 115.82 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -77.59 -29.68 52.12 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.29 -50.82 72.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.291 1.043 . . . . 0.0 111.591 161.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -65.16 -28.84 69.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.159 -2.838 . . . . 0.0 116.15 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 28.7 pttt -69.96 -36.13 75.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 170.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 pt -64.44 -42.48 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.471 -1.393 . . . . 0.0 113.765 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -86.6 -40.27 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -79.71 -60.52 2.32 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.372 -1.455 . . . . 0.0 114.922 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -86.82 13.11 9.46 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 -164.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -45.98 158.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.2 p -83.87 170.91 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.67 -1.894 . . . . 0.0 107.937 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.36 -46.3 84.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.445 -1.409 . . . . 0.0 111.411 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -60.33 -35.55 75.91 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.68 -40.43 94.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.296 -1.503 . . . . 0.0 114.602 170.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -73.98 -43.87 56.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.372 1.469 . . . . 0.0 110.876 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -70.69 -9.69 57.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.686 1.594 . . . . 0.0 112.75 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 m -79.42 -61.66 1.93 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 174.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.21 -35.27 48.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.505 3.15 . . . . 0.0 119.505 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.83 -38.88 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 168.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.78 -38.71 80.2 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.053 -2.279 . . . . 0.0 116.253 170.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -87.58 -38.14 16.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.093 -1.63 . . . . 0.0 112.738 -172.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -113.0 65.34 0.64 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.226 1.41 . . . . 0.0 107.762 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.34 -71.21 0.07 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -75.35 -40.6 58.04 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 123.946 0.899 . . . . 0.0 112.655 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.44 94.27 Favored Glycine 0 N--CA 1.43 -1.719 0 O-C-N 120.2 -1.563 . . . . 0.0 116.918 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.408 0.1 OUTLIER -77.92 -30.71 50.67 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.591 -176.69 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.66 -58.5 3.39 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 122.801 2.546 . . . . 0.0 114.715 169.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.73 -57.56 7.09 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 122.653 1.141 . . . . 0.0 115.285 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -71.15 -22.64 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.741 -2.623 . . . . 0.0 114.455 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -69.47 -41.3 76.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.474 -2.016 . . . . 0.0 112.699 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.259 19.4 mmt180 -49.5 -41.97 42.27 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.495 1.952 . . . . 0.0 113.917 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -69.68 -55.51 9.77 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 128.171 2.588 . . . . 0.0 105.809 -172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 88' ' ' THR . 74.5 mt -60.32 -36.9 79.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.867 -1.771 . . . . 0.0 115.017 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -59.27 4.47 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.106 -1.622 . . . . 0.0 109.919 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.254 7.5 ptp -57.31 -32.85 67.08 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.5 m-85 -78.35 -12.46 60.0 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.658 -1.277 . . . . 0.0 112.832 -174.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.7 t -131.84 51.66 2.13 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 122.407 1.099 . . . . 0.0 110.844 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -96.05 114.87 26.62 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.782 -1.199 . . . . 0.0 108.253 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt . . . . . 0 N--CA 1.43 -1.44 0 O-C-N 121.175 -0.953 . . . . 0.0 110.884 177.011 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 120.995 0.426 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.423 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -117.29 152.1 35.57 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.529 -1.357 . . . . 0.0 107.857 167.588 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -73.9 -51.57 15.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.936 -2.353 . . . . 0.0 108.972 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 tt -44.28 -55.25 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.152 3.019 . . . . 0.0 119.152 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -67.52 -31.43 71.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.504 1.121 . . . . 0.0 112.426 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 83.2 m -63.73 -47.83 79.5 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.026 -1.671 . . . . 0.0 114.285 167.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.82 -39.08 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 126.7 2.0 . . . . 0.0 110.596 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -57.28 -57.24 13.5 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 130.821 3.648 . . . . 0.0 112.688 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -69.55 -26.14 64.36 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.752 -2.468 . . . . 0.0 115.102 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.459 ' CG1' HG11 ' B' ' 42' ' ' VAL . 33.1 mt -74.32 -26.03 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.944 -1.722 . . . . 0.0 111.342 174.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.04 -49.85 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.455 -2.028 . . . . 0.0 111.509 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . 0.31 2.1 p -69.7 -36.0 75.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 123.754 0.822 . . . . 0.0 112.829 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 HD11 ' A' ' 17' ' ' ILE . 2.5 t -59.15 -42.92 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.016 1.326 . . . . 0.0 114.531 165.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.5 63.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.004 -1.06 . . . . 0.0 108.896 -171.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -76.02 -14.17 60.22 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 17' ' ' ILE . 28.4 mm -59.23 -51.95 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 121.053 1.751 . . . . 0.0 112.238 160.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 0.9 OUTLIER -66.19 -28.88 69.1 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.994 -1.691 . . . . 0.0 112.892 -178.137 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -76.96 -36.18 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.351 -2.093 . . . . 0.0 108.603 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -57.89 -42.48 84.73 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.617 1.567 . . . . 0.0 113.121 170.133 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.31 3.84 48.2 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 119.924 -1.735 . . . . 0.0 115.182 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t 69.42 37.58 1.98 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.869 -1.769 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -114.96 43.65 1.94 Allowed 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.398 2.279 . . . . 0.0 112.668 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.407 0.0 OUTLIER -57.38 -21.49 36.35 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 170.335 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -40.92 -38.4 0.95 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.62 3.193 . . . . 0.0 119.62 159.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -73.55 -40.23 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.614 -1.929 . . . . 0.0 110.393 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.74 -36.71 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 126.655 1.982 . . . . 0.0 112.329 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.89 -21.45 66.47 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.269 2.628 . . . . 0.0 116.027 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -112.32 126.11 54.9 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.001 -1.687 . . . . 0.0 111.687 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -51.48 -57.59 8.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.791 2.036 . . . . 0.0 113.987 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.48 -35.02 58.65 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 119.239 -2.163 . . . . 0.0 114.716 -170.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -55.56 -41.92 73.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 168.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.62 -46.31 83.13 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.538 1.535 . . . . 0.0 112.383 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' B' ' 54' ' ' PHE . 64.8 mt -57.38 -41.53 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.108 1.763 . . . . 0.0 113.984 170.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.57 91.67 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.408 -2.057 . . . . 0.0 114.536 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 18' ' ' LEU 0.304 20.5 t80 -57.31 -42.75 82.42 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.459 2.303 . . . . 0.0 112.487 165.696 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.91 -35.1 78.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.587 -1.946 . . . . 0.0 112.006 174.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -73.59 -29.54 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.679 -1.888 . . . . 0.0 114.26 170.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.37 -61.79 2.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 167.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -82.01 -14.63 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.296 -1.503 . . . . 0.0 112.319 -168.807 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.99 45.03 6.46 Favored Glycine 0 N--CA 1.431 -1.661 0 O-C-N 120.885 -1.134 . . . . 0.0 115.807 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.459 HG11 ' CG1' ' B' ' 11' ' ' ILE . 93.1 t -78.41 108.35 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 161.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -110.43 119.05 37.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.698 -1.252 . . . . 0.0 109.89 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 45' ' ' GLU . 35.7 t60 -66.96 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 44' ' ' HIS . 92.3 mt-10 -91.48 51.01 1.81 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.017 -2.927 . . . . 0.0 109.396 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 11.16 74.37 Favored Glycine 0 N--CA 1.43 -1.742 0 CA-C-O 116.297 -2.39 . . . . 0.0 114.274 -174.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -133.49 161.96 33.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.238 2.519 . . . . 0.0 106.59 -174.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.57 157.84 22.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.26 -1.525 . . . . 0.0 111.32 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.01 132.98 33.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.578 1.656 . . . . 0.0 111.563 -166.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -93.29 163.75 13.49 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.342 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -62.86 -47.58 82.73 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.618 1.567 . . . . 0.0 113.171 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -72.06 -42.14 66.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.646 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -74.45 -30.61 61.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 125.621 3.828 . . . . 0.0 112.68 -176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.489 ' CD2' HD11 ' B' ' 34' ' ' ILE . 52.9 t80 -46.65 -52.82 12.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 159.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -65.25 -29.9 70.73 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.63 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 33.2 pttt -67.75 -24.36 65.34 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 165.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.402 HG13 HG13 ' B' ' 58' ' ' VAL 0.311 41.1 pt -68.53 -53.39 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 CA-C-N 123.679 2.945 . . . . 0.0 115.124 166.652 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.402 HG13 HG13 ' B' ' 57' ' ' ILE . 23.0 m -70.07 -35.87 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -75.07 -57.4 3.92 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 116.882 -3.637 . . . . 0.0 114.983 -171.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -78.67 13.41 1.66 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.665 -3.147 . . . . 0.0 118.184 -169.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.97 146.77 45.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.422 -2.049 . . . . 0.0 111.614 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -88.84 172.88 8.87 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 118.882 -2.386 . . . . 0.0 107.996 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -54.03 -46.33 71.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.325 -2.109 . . . . 0.0 114.145 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -67.76 -32.59 73.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -69.76 -35.03 74.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.175 -1.578 . . . . 0.0 112.278 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.81 -46.31 58.62 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.044 1.338 . . . . 0.0 109.485 175.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -56.18 -28.56 58.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 49.9 m -67.98 -34.85 77.33 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.706 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.39 -41.57 69.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.004 -1.685 . . . . 0.0 113.648 167.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.1 -46.01 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 118.753 -2.467 . . . . 0.0 115.945 171.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.58 -48.6 66.11 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -92.88 -18.7 22.49 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.934 1.243 . . . . 0.0 113.425 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.2 74.77 1.6 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.611 -1.306 . . . . 0.0 107.683 -170.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.59 -69.82 0.25 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.576 1.15 . . . . 0.0 112.557 -172.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.42 -42.85 98.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.77 -1.832 . . . . 0.0 114.703 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.62 -56.9 12.63 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 117.005 -1.997 . . . . 0.0 113.333 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.289 0.8 OUTLIER -77.77 -37.32 49.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.115 2.458 . . . . 0.0 112.322 -171.476 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . 0.28 61.3 mt-10 -39.85 -59.95 1.09 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 163.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.84 -63.07 4.46 Favored Glycine 0 N--CA 1.43 -1.712 0 O-C-N 118.2 -2.813 . . . . 0.0 116.007 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.17 -24.77 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.02 -1.871 . . . . 0.0 114.292 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -81.01 -14.41 57.94 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.24 -2.163 . . . . 0.0 113.299 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -61.45 -55.54 30.17 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.007 -2.308 . . . . 0.0 111.439 158.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.56 -50.37 60.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.661 2.784 . . . . 0.0 116.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.42 -47.11 83.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.771 -3.081 . . . . 0.0 111.294 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -67.63 -37.84 83.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.001 -1.687 . . . . 0.0 113.49 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -78.15 -16.95 57.46 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.521 -1.987 . . . . 0.0 113.133 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -93.39 1.22 56.97 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.486 -2.009 . . . . 0.0 112.576 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.3 0.1 OUTLIER -138.86 75.0 1.5 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 168.507 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -113.13 83.34 1.81 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.918 1.818 . . . . 0.0 109.983 163.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tptt . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -177.469 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.431 -1.402 0 CA-C-O 121.844 0.83 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 20.4 pttm -105.97 166.03 10.78 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.594 1.188 . . . . 0.0 111.255 -177.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -46.79 -65.18 0.6 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -47.07 -47.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.28 -18.95 65.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.321 1.849 . . . . 0.0 115.197 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 19.5 m -93.96 -34.78 12.93 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 110.029 175.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 8' ' ' VAL . 4.3 t -58.12 -42.76 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 118.456 -2.653 . . . . 0.0 110.694 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -44.45 -61.68 1.45 Allowed 'General case' 0 N--CA 1.43 -1.457 1 C-N-CA 132.648 4.379 . . . . 0.0 112.803 173.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.1 -24.0 67.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 173.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -81.97 -35.65 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 119.335 -2.103 . . . . 0.0 110.058 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.71 -39.92 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 128.59 2.756 . . . . 0.0 114.492 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.52 -41.52 38.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.602 HG13 HD11 ' B' ' 17' ' ' ILE . 2.5 t -50.34 -43.62 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.645 1.978 . . . . 0.0 115.632 164.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.75 87.22 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.579 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.0 p -69.19 -16.08 63.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 17' ' ' ILE . 12.6 mm -62.44 -49.27 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 120.996 1.725 . . . . 0.0 110.793 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 26' ' ' ILE . 5.0 mp -61.44 -36.94 81.79 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.624 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -75.65 -26.85 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.594 -1.942 . . . . 0.0 112.073 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.94 98.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.322 1.449 . . . . 0.0 113.088 169.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -90.25 2.2 55.69 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 67.47 47.09 1.28 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.982 1.713 . . . . 0.0 113.948 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -123.22 34.7 5.05 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.158 2.183 . . . . 0.0 111.84 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.328 0.0 OUTLIER -57.68 -24.9 59.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 176.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -47.8 -32.32 5.9 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' ' 18' ' ' LEU . 20.6 mt -69.32 -43.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 119.975 -1.703 . . . . 0.0 111.78 172.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -67.04 -36.63 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.332 2.253 . . . . 0.0 112.925 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 tm-20 -60.98 -20.98 63.07 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 129.088 2.955 . . . . 0.0 116.746 -168.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -130.73 128.12 40.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.202 1.001 . . . . 0.0 112.348 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -53.63 -45.51 70.19 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.38 63.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.448 -2.658 . . . . 0.0 116.991 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -78.54 -39.62 37.35 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.645 -1.285 . . . . 0.0 108.449 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.2 -54.7 43.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 126.361 1.865 . . . . 0.0 112.866 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 54' ' ' PHE . 20.7 mt -55.97 -41.8 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.393 2.277 . . . . 0.0 114.457 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.22 69.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -35.88 33.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 126.531 1.932 . . . . 0.0 109.596 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.99 -48.13 79.16 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.111 -1.618 . . . . 0.0 112.307 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -65.05 -16.42 63.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.405 -2.06 . . . . 0.0 116.52 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.47 -60.77 2.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.749 1.613 . . . . 0.0 113.351 167.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -86.51 -4.73 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -166.631 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.68 39.8 6.52 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 121.262 -0.899 . . . . 0.0 113.371 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.517 HG23 HD11 ' A' ' 40' ' ' ILE . 56.1 t -82.84 119.8 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 CA-C-N 119.996 1.898 . . . . 0.0 108.102 167.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -113.79 149.57 34.73 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.37 -1.456 . . . . 0.0 110.211 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.453 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 12.2 t60 -78.94 -87.07 0.06 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.51 -1.994 . . . . 0.0 113.978 166.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -91.6 50.96 1.79 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.035 -1.666 . . . . 0.0 110.369 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.98 19.04 28.8 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 -169.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -133.59 161.79 33.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -76.62 141.85 40.89 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.667 1.223 . . . . 0.0 111.461 -167.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -97.93 126.81 43.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.978 1.311 . . . . 0.0 108.94 -156.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -97.06 153.7 17.78 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.018 1.327 . . . . 0.0 111.036 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.27 -37.88 87.18 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -68.96 -54.15 16.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.008 1.323 . . . . 0.0 113.404 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -78.95 -10.56 59.86 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.178 -2.826 . . . . 0.0 115.083 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 34' ' ' ILE . 57.5 t80 -57.31 -55.14 38.63 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.265 1.507 . . . . 0.0 111.125 159.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -61.33 -31.95 71.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.234 -0.916 . . . . 0.0 112.994 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.312 8.4 pttp -63.0 -49.83 73.12 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 119.651 1.114 . . . . 0.0 113.546 168.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.332 24.4 pt -53.79 -51.07 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 121.75 2.068 . . . . 0.0 114.716 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.05 -31.48 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 t -82.73 -43.53 16.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -86.82 3.94 43.17 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -159.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.7 mt -51.68 145.68 8.91 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 125.774 1.63 . . . . 0.0 113.024 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -87.41 177.07 7.22 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.71 -46.01 76.9 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.304 -2.122 . . . . 0.0 110.363 173.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.08 -39.51 63.38 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 170.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -68.37 -33.97 75.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.859 -1.776 . . . . 0.0 114.588 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.16 -31.61 30.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.528 -1.982 . . . . 0.0 110.549 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.99 85.53 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.575 -1.328 . . . . 0.0 110.034 171.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.8 m -59.0 -38.62 79.61 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.492 1.917 . . . . 0.0 113.995 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.02 -43.63 57.27 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 119.922 -1.736 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.4 -42.52 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.337 1.455 . . . . 0.0 113.533 172.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.71 -48.17 82.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.936 1.695 . . . . 0.0 114.634 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -86.97 -28.01 22.94 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.902 -1.749 . . . . 0.0 115.357 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -121.84 66.92 0.91 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -58.04 -68.09 0.28 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.392 1.477 . . . . 0.0 112.832 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.0 -36.18 79.56 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.086 2.154 . . . . 0.0 112.701 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -59.31 9.32 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 124.617 1.103 . . . . 0.0 115.382 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -84.24 -24.86 29.82 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 119.375 1.588 . . . . 0.0 110.358 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.69 -54.62 44.04 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.803 -2.435 . . . . 0.0 111.909 168.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.32 -70.12 1.09 Allowed Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.442 -1.411 . . . . 0.0 116.305 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.99 -26.13 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.303 -2.292 . . . . 0.0 115.75 -169.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -80.87 -15.72 55.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 119.239 0.927 . . . . 0.0 113.087 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -63.27 -46.89 84.71 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 115.291 -2.564 . . . . 0.0 111.727 161.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -61.49 -57.25 12.92 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.951 1.701 . . . . 0.0 109.031 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -30.85 64.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.443 -2.036 . . . . 0.0 116.219 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.38 -45.88 36.39 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.795 -1.816 . . . . 0.0 110.885 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -81.56 -18.46 44.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.027 -2.295 . . . . 0.0 113.114 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 14.4 m-30 -87.58 -3.32 58.99 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.055 1.342 . . . . 0.0 110.996 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.378 7.0 t -151.05 85.49 1.35 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.796 1.284 . . . . 0.0 112.186 169.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.4 81.66 1.83 Allowed 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 157.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -176.372 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -119.89 177.89 4.8 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.649 -1.907 . . . . 0.0 109.882 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.22 -37.48 80.88 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.4 -1.438 . . . . 0.0 114.217 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 5' ' ' ILE . 6.7 tt -89.04 -34.63 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.552 2.341 . . . . 0.0 110.065 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.62 -34.44 65.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.621 1.568 . . . . 0.0 112.422 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.2 m -69.01 -47.66 64.92 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.568 -2.582 . . . . 0.0 112.439 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.56 -35.63 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.731 -1.856 . . . . 0.0 114.879 166.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -69.69 -51.5 33.96 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.555 2.342 . . . . 0.0 111.448 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.16 -49.98 50.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.245 1.418 . . . . 0.0 114.47 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.469 HG12 HG11 ' B' ' 42' ' ' VAL . 24.3 mt -70.5 -25.55 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 119.396 -2.065 . . . . 0.0 114.097 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.42 -55.13 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.975 -2.328 . . . . 0.0 112.052 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.0 -37.04 85.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.414 1.486 . . . . 0.0 113.833 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 17' ' ' ILE . 2.8 t -61.46 -42.99 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 125.32 1.448 . . . . 0.0 112.823 171.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.65 70.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.088 -2.257 . . . . 0.0 113.063 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 99.2 p -67.87 -22.93 65.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.101 -2.249 . . . . 0.0 114.835 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 14' ' ' VAL . 20.8 mm -51.82 -54.06 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.061 1.345 . . . . 0.0 112.327 159.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB ' ' B' ' 26' ' ' ILE . 3.0 mp -57.7 -42.99 84.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.48 -34.54 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.758 -1.839 . . . . 0.0 113.456 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -48.71 65.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.67 -1.894 . . . . 0.0 114.113 167.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -81.78 1.75 33.19 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.488 -1.383 . . . . 0.0 114.452 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t 57.7 41.79 24.76 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 126.742 2.017 . . . . 0.0 114.845 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.72 48.02 0.85 Allowed 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.158 2.583 . . . . 0.0 109.85 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.251 0.1 OUTLIER -71.57 -16.67 62.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.789 -1.819 . . . . 0.0 114.765 -178.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -54.56 -29.61 51.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.424 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.1 mt -71.79 -40.77 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.712 -1.867 . . . . 0.0 110.481 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.99 -42.61 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.279 1.832 . . . . 0.0 111.267 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 13.5 tm-20 -50.77 -19.77 1.06 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -130.44 122.82 28.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.339 -1.476 . . . . 0.0 109.079 173.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -56.36 -41.85 76.83 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.578 1.151 . . . . 0.0 113.388 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.86 -30.64 69.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.397 -2.064 . . . . 0.0 116.109 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -77.07 -33.43 57.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.08 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.13 -48.96 77.81 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.401 1.88 . . . . 0.0 112.799 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 54' ' ' PHE . 32.2 mt -60.42 -36.22 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.199 2.2 . . . . 0.0 112.83 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.45 69.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.99 1.316 . . . . 0.0 108.002 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 5.0 t80 -54.21 -42.98 70.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.038 2.135 . . . . 0.0 115.762 167.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.71 -38.21 80.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.894 -2.379 . . . . 0.0 113.929 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.24 -26.95 65.04 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.428 -2.045 . . . . 0.0 113.412 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.98 -57.75 5.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.026 1.33 . . . . 0.0 112.969 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.544 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -87.89 -19.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.802 -1.186 . . . . 0.0 112.838 -170.278 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.31 7.72 Favored Glycine 0 N--CA 1.429 -1.798 0 N-CA-C 115.87 1.108 . . . . 0.0 115.87 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.544 HG23 HD11 ' B' ' 40' ' ' ILE 0.324 21.9 t -70.22 116.79 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 120.575 -1.544 . . . . 0.0 110.531 160.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -121.21 154.16 36.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.392 1.077 . . . . 0.0 110.541 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.29 9.3 t60 -86.86 -95.32 0.09 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.108 -0.995 . . . . 0.0 113.259 172.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.3 53.19 2.25 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.785 -1.822 . . . . 0.0 111.954 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 7.78 66.2 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 118.42 -2.675 . . . . 0.0 115.049 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -122.44 155.44 36.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.735 1.614 . . . . 0.0 111.281 -170.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -65.7 132.67 49.35 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.706 1.603 . . . . 0.0 111.377 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.91 130.23 34.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 123.092 1.425 . . . . 0.0 112.016 -162.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -96.12 158.3 15.5 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.116 1.366 . . . . 0.0 112.227 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -65.98 -40.12 90.96 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.665 -1.272 . . . . 0.0 113.794 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -76.38 -46.49 27.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.271 1.428 . . . . 0.0 113.166 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.7 m -79.39 -9.55 59.62 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.502 -1.374 . . . . 0.0 113.752 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' B' ' 34' ' ' ILE . 90.3 t80 -64.34 -51.66 62.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.574 -1.329 . . . . 0.0 109.771 159.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -66.41 -25.22 66.66 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.982 -1.699 . . . . 0.0 112.346 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.32 3.1 pttp -64.13 -52.07 60.9 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 167.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.296 23.6 pt -46.33 -44.11 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 121.73 2.059 . . . . 0.0 115.264 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.91 -40.94 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -74.95 -46.47 35.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.64 9.1 2.44 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.347 1.859 . . . . 0.0 115.737 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 140.96 58.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.324 -1.485 . . . . 0.0 111.936 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 81.8 p -86.72 171.25 11.07 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.806 -1.184 . . . . 0.0 109.89 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.73 -38.62 91.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.415 -1.428 . . . . 0.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.43 -35.58 77.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 171.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -66.93 -37.93 85.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.968 -1.708 . . . . 0.0 111.862 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -77.56 -36.73 51.85 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.315 -1.491 . . . . 0.0 110.762 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -43.15 67.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.935 1.294 . . . . 0.0 111.799 162.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -64.34 -44.59 91.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -47.27 87.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.78 -1.2 . . . . 0.0 112.974 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.6 mt -55.8 -39.35 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.752 1.221 . . . . 0.0 112.941 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.0 -35.59 80.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.027 -1.671 . . . . 0.0 114.815 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -86.55 -40.99 14.69 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.105 -1.622 . . . . 0.0 111.758 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.22 70.26 0.88 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.898 1.679 . . . . 0.0 109.061 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -56.34 -69.69 0.14 Allowed 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.791 1.636 . . . . 0.0 112.287 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -58.08 -51.51 69.41 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.074 1.749 . . . . 0.0 112.862 177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.99 -53.03 24.87 Favored Glycine 0 N--CA 1.431 -1.691 0 O-C-N 120.87 -1.144 . . . . 0.0 115.645 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.28 5.5 t80 -73.02 -33.2 65.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 119.934 1.867 . . . . 0.0 110.456 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.66 -53.87 45.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 121.198 1.817 . . . . 0.0 114.061 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.81 10.49 Favored Glycine 0 N--CA 1.431 -1.658 0 O-C-N 119.596 -1.94 . . . . 0.0 116.067 171.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.08 -17.79 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 118.372 -2.84 . . . . 0.0 114.036 -170.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -87.28 -10.85 51.31 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.222 -1.549 . . . . 0.0 111.985 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -62.82 -46.15 89.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.892 -2.38 . . . . 0.0 110.043 157.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -69.17 -54.37 15.21 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.913 1.685 . . . . 0.0 110.484 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.0 mt -59.91 -42.63 94.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.153 -1.592 . . . . 0.0 111.398 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.24 -40.67 90.38 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.119 -1.613 . . . . 0.0 115.056 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.2 ptp -75.51 -14.78 60.43 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.38 -1.45 . . . . 0.0 114.436 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 21.8 m-85 -94.11 -4.46 49.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.089 1.356 . . . . 0.0 110.985 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.78 87.49 2.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 166.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.57 113.47 19.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 168.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 175.595 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 t30 . . . . . 0 N--CA 1.43 -1.442 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -120.44 168.73 11.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.423 1.889 . . . . 0.0 106.647 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -73.06 -47.4 45.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 123.399 1.571 . . . . 0.0 111.949 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -58.89 -39.57 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 C-N-CA 127.166 2.186 . . . . 0.0 113.419 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -46.33 84.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.838 1.655 . . . . 0.0 111.734 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -67.83 -42.27 81.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.3 83.1 t -46.7 -47.41 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 162.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -67.43 -40.17 85.45 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -74.77 -26.26 59.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 118.091 -2.881 . . . . 0.0 114.882 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.65 -33.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.965 -1.709 . . . . 0.0 111.54 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 80' ' ' VAL . 20.7 mt -57.36 -44.72 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 121.018 1.735 . . . . 0.0 113.957 170.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.281 7.0 p -65.6 -44.32 86.97 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.304 -0.873 . . . . 0.0 111.421 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.564 HG13 HD11 ' B' ' 17' ' ' ILE . 29.4 t -55.85 -42.1 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 125.984 1.713 . . . . 0.0 114.654 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.4 -29.57 37.74 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 117.477 -1.689 . . . . 0.0 107.148 -168.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.5 p -72.09 -13.91 61.71 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.594 -1.942 . . . . 0.0 114.486 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' B' ' 17' ' ' ILE . 29.7 mm -60.58 -51.55 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 CA-C-N 121.065 1.757 . . . . 0.0 111.87 160.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.89 -33.02 74.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.557 -1.339 . . . . 0.0 112.628 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.282 37.1 mt -72.0 -31.93 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.614 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -57.83 -43.48 85.84 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.613 -1.304 . . . . 0.0 113.592 168.62 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.92 2.09 56.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.505 1.522 . . . . 0.0 114.094 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.373 1.7 t 54.18 51.33 14.66 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 118.939 2.94 . . . . 0.0 118.939 -171.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -115.41 51.33 0.93 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 168.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -18.27 64.78 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.744 2.018 . . . . 0.0 115.131 174.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -48.15 -32.0 6.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 162.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.22 -48.31 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.53 -2.606 . . . . 0.0 111.006 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.56 -43.93 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 C-N-CA 125.874 1.67 . . . . 0.0 111.28 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 4.8 tm-20 -50.16 -24.75 2.98 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -111.92 126.39 55.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.86 -1.775 . . . . 0.0 110.496 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -41.98 -53.27 3.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.169 2.588 . . . . 0.0 114.297 172.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.47 32.5 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.026 -2.296 . . . . 0.0 114.418 -172.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -68.85 -35.09 76.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 119.5 1.046 . . . . 0.0 112.34 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -58.61 -55.81 30.25 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 54' ' ' PHE . 58.5 mt -54.96 -29.51 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 O-C-N 119.104 -2.247 . . . . 0.0 116.179 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.56 61.68 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.273 -2.142 . . . . 0.0 112.979 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.303 2.0 t80 -71.38 -38.74 71.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.308 1.443 . . . . 0.0 111.548 170.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.3 -44.41 84.07 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.891 1.276 . . . . 0.0 112.516 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.33 -23.37 66.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.14 1.376 . . . . 0.0 113.907 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.0 -64.33 1.21 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 119.71 1.141 . . . . 0.0 112.767 172.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 HD13 ' B' ' 17' ' ' ILE 0.281 0.1 OUTLIER -72.58 -17.02 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-N 121.43 1.923 . . . . 0.0 113.675 -173.645 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 38.1 5.54 Favored Glycine 0 N--CA 1.43 -1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 114.87 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG23 HD11 ' A' ' 40' ' ' ILE . 51.5 t -74.93 114.58 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.6 p -96.57 156.2 16.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.341 1.057 . . . . 0.0 109.85 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.286 25.6 t60 -77.82 -99.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 157.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -88.25 49.34 1.78 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.321 -2.112 . . . . 0.0 111.361 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.54 6.95 72.48 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -117.59 162.73 17.54 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.528 -0.983 . . . . 0.0 109.167 -170.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.91 140.13 53.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.955 -1.091 . . . . 0.0 111.441 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.28 127.24 40.03 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 -164.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -97.43 -173.07 2.55 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.071 -1.018 . . . . 0.0 111.674 -171.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -90.29 -43.72 10.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.307 -2.121 . . . . 0.0 111.193 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -60.67 -50.18 74.52 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-O 122.653 1.216 . . . . 0.0 114.136 175.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -83.38 -7.58 59.54 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.105 1.362 . . . . 0.0 113.893 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.0 t80 -71.84 -46.26 58.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.638 -1.914 . . . . 0.0 107.704 166.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -70.88 -16.84 62.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.577 -1.952 . . . . 0.0 110.982 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 12.3 ptpt -66.1 -48.12 71.95 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 162.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 36.5 pt -57.32 -44.73 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 124.639 1.175 . . . . 0.0 113.942 -174.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.78 -48.17 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 C-N-CA 124.445 1.098 . . . . 0.0 113.757 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -76.47 -54.07 7.23 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.895 -1.753 . . . . 0.0 113.576 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.322 5.9 pt-20 -82.75 12.93 4.2 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -165.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.1 mt -53.04 155.8 2.36 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.62 -1.3 . . . . 0.0 113.995 170.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.9 p -85.46 170.09 13.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.778 . . . . 0.0 110.945 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.66 -27.8 64.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.387 -2.071 . . . . 0.0 114.603 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.87 -34.42 76.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.076 -2.265 . . . . 0.0 114.561 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -65.09 -42.06 94.4 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.435 1.494 . . . . 0.0 112.345 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.05 -34.88 57.13 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.486 -1.384 . . . . 0.0 110.593 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -62.55 -31.82 72.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.305 -2.122 . . . . 0.0 112.401 166.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 m -67.63 -35.75 79.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 119.874 1.215 . . . . 0.0 114.133 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.63 -45.53 89.82 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.13 -1.606 . . . . 0.0 112.99 165.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.24 -38.33 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.153 1.381 . . . . 0.0 112.72 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.24 -44.48 71.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.114 -1.616 . . . . 0.0 114.382 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.84 -19.69 24.34 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 113.167 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.99 83.69 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.941 -1.724 . . . . 0.0 112.719 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.93 -59.2 2.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.758 -1.839 . . . . 0.0 114.514 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.53 -37.8 71.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.47 -1.394 . . . . 0.0 110.971 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -67.44 -55.36 15.57 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 125.286 1.422 . . . . 0.0 115.109 -174.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.332 0.0 OUTLIER -74.19 -44.37 53.6 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.381 -1.658 . . . . 0.0 109.181 -177.538 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.69 -42.06 92.12 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 120.782 1.628 . . . . 0.0 113.98 -170.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.02 -63.52 5.12 Favored Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 167.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 76' ' ' GLY . 18.4 m -65.55 -23.14 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 118.817 -2.578 . . . . 0.0 115.676 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -76.28 -27.11 56.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.675 -2.516 . . . . 0.0 113.087 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.91 -43.29 96.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.022 1.283 . . . . 0.0 109.622 168.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.86 -59.69 4.99 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.624 1.969 . . . . 0.0 109.298 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.77 -40.68 76.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.167 -1.583 . . . . 0.0 113.836 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.15 -46.05 89.05 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.089 -2.257 . . . . 0.0 116.445 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -71.66 -20.23 61.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.63 -1.919 . . . . 0.0 113.511 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 12.1 m-85 -80.51 -15.65 56.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.3 2.9 t -145.48 72.86 1.33 Allowed 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 111.651 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.26 130.22 55.18 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.335 1.454 . . . . 0.0 108.104 157.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt . . . . . 0 N--CA 1.43 -1.448 0 O-C-N 120.5 -1.375 . . . . 0.0 108.64 171.191 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 61.4 t30 . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -123.07 159.69 27.94 Favored 'General case' 0 N--CA 1.431 -1.419 1 N-CA-C 97.503 -4.999 . . . . 0.0 97.503 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ASN . . . . . 0.417 ' O ' HG23 ' B' ' 8' ' ' VAL . 92.3 m-20 -61.87 -43.73 98.26 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -170.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 tt -52.91 -53.06 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -27.5 67.73 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.139 1.775 . . . . 0.0 113.608 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 120.028 1.285 . . . . 0.0 112.654 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.434 HG21 HD11 ' B' ' 61' ' ' LEU . 3.6 t -61.88 -50.31 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 122.722 2.51 . . . . 0.0 109.927 173.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' B' ' 73' ' ' PHE . 18.7 ttt-85 -39.02 -58.22 1.15 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.487 3.115 . . . . 0.0 116.771 171.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.28 -20.91 59.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.125 -2.234 . . . . 0.0 116.883 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 mt -80.4 -23.73 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.558 -1.964 . . . . 0.0 111.346 174.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.75 -48.26 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 119.366 -2.084 . . . . 0.0 113.261 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.9 p -58.54 -50.55 73.38 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.37 -37.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 119.442 3.127 . . . . 0.0 119.442 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.33 -36.33 81.23 Favored 'General case' 0 N--CA 1.431 -1.399 1 O-C-N 112.287 -6.508 . . . . 0.0 112.362 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -66.1 -23.48 66.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 mm -59.65 -49.93 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.42 -2.05 . . . . 0.0 109.684 170.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.25 -38.98 88.63 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.932 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -66.4 -40.04 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 119.43 -2.044 . . . . 0.0 115.393 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -38.95 18.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 166.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -93.29 2.87 56.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.322 -2.111 . . . . 0.0 114.318 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t 71.75 44.35 0.5 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.21 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.14 50.86 1.5 Allowed 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.037 0.935 . . . . 0.0 109.86 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.341 0.1 OUTLIER -66.28 -10.93 47.21 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.31 -41.83 60.77 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.69 2.396 . . . . 0.0 117.206 165.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.64 -40.27 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.07 -2.268 . . . . 0.0 110.774 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.3 -40.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.651 1.98 . . . . 0.0 113.464 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.9 pt-20 -67.95 -13.59 62.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -164.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -124.58 127.93 48.13 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.623 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -47.84 -40.08 20.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 171.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.7 74.09 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.327 -2.108 . . . . 0.0 115.31 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -65.16 -32.27 73.88 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 122.265 1.031 . . . . 0.0 113.458 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.45 -53.5 34.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 113.902 173.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -52.25 -38.87 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 128.332 2.653 . . . . 0.0 115.315 166.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.55 93.63 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.131 -0.981 . . . . 0.0 110.617 173.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -41.14 96.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.149 1.38 . . . . 0.0 114.025 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.87 -42.78 68.97 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 112.922 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -72.56 -19.48 61.49 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.297 -1.502 . . . . 0.0 114.528 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -54.41 8.32 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.262 -2.149 . . . . 0.0 111.376 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 pt -80.07 -24.68 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-O 121.83 0.824 . . . . 0.0 112.02 -169.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.05 36.29 5.79 Favored Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.13 117.13 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-O 123.634 1.683 . . . . 0.0 110.067 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.0 p -99.56 152.67 19.77 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.844 2.058 . . . . 0.0 106.925 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.16 -99.88 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.833 -1.167 . . . . 0.0 112.769 159.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -85.0 46.1 1.24 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.971 -2.331 . . . . 0.0 111.935 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.74 -0.94 80.49 Favored Glycine 0 N--CA 1.43 -1.762 0 O-C-N 119.422 -2.048 . . . . 0.0 114.225 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -106.15 157.23 17.71 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.006 1.722 . . . . 0.0 110.08 -167.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.24 134.67 45.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.544 -0.722 . . . . 0.0 109.935 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 129.57 42.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -167.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -100.67 170.74 8.15 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.852 1.261 . . . . 0.0 109.205 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -73.33 -36.85 66.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.11 -0.994 . . . . 0.0 113.549 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -74.87 -42.48 57.81 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 123.587 1.66 . . . . 0.0 112.641 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -60.48 -36.17 77.66 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.542 -1.974 . . . . 0.0 114.885 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -56.28 -48.93 75.62 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-O 123.973 1.844 . . . . 0.0 113.356 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -75.44 -10.9 59.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.57 1.652 . . . . 0.0 112.906 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -82.74 -46.26 13.38 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 113.717 -3.193 . . . . 0.0 115.133 170.013 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.326 28.0 pt -53.12 -47.31 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.773 -2.454 . . . . 0.0 116.445 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 m -74.83 -34.32 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.75 -54.91 6.21 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -78.15 8.67 4.55 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -163.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.434 HD11 HG21 ' B' ' 8' ' ' VAL . 82.4 mt -57.02 149.44 19.04 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.844 -1.785 . . . . 0.0 115.707 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -80.9 173.92 12.13 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.604 1.192 . . . . 0.0 111.277 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -67.79 -44.36 77.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.089 -1.632 . . . . 0.0 110.873 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.39 -39.49 76.19 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.236 1.814 . . . . 0.0 112.259 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -61.81 -39.95 93.53 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 122.502 1.144 . . . . 0.0 113.582 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -77.74 -37.74 48.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.132 -0.98 . . . . 0.0 111.325 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -64.51 -34.15 77.55 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.204 -1.56 . . . . 0.0 109.094 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.9 m -63.42 -45.49 90.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 122.153 2.252 . . . . 0.0 110.66 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.89 -37.66 87.79 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 123.767 0.827 . . . . 0.0 113.204 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.65 -43.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 118.894 0.77 . . . . 0.0 112.184 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.1 -47.9 72.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -69.28 -42.58 75.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 122.923 1.344 . . . . 0.0 113.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' B' ' 9' ' ' ARG . 71.5 m-85 -115.74 60.58 0.71 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.08 -2.263 . . . . 0.0 110.687 -169.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -48.25 -71.77 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -63.28 -41.63 99.02 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 123.177 1.465 . . . . 0.0 113.487 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -55.19 20.42 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.266 1.412 . . . . 0.0 115.095 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.3 -19.36 50.65 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 119.79 1.795 . . . . 0.0 111.094 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.32 -58.02 10.35 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.704 1.593 . . . . 0.0 112.181 164.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.46 -67.21 2.33 Favored Glycine 0 N--CA 1.431 -1.695 0 CA-C-O 122.883 1.268 . . . . 0.0 115.005 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.22 -19.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 118.426 -2.808 . . . . 0.0 115.272 -165.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.44 -16.38 54.52 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.747 1.158 . . . . 0.0 111.698 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -60.38 -50.64 72.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 122.942 2.61 . . . . 0.0 113.434 157.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.04 -60.41 3.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.516 1.527 . . . . 0.0 109.48 -174.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.98 -49.53 20.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.303 1.441 . . . . 0.0 114.669 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.87 -50.45 70.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 124.151 0.907 . . . . 0.0 111.422 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 15.0 ptp -67.91 -24.81 65.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.757 -1.214 . . . . 0.0 114.21 -172.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.8 m-30 -78.93 -9.64 59.57 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.964 0.905 . . . . 0.0 113.226 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.433 0.2 OUTLIER -119.09 18.33 13.13 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.901 1.334 . . . . 0.0 111.594 177.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -73.34 118.06 15.84 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.1 -2.25 . . . . 0.0 110.217 162.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.516 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 -168.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -117.48 170.59 8.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.826 -1.171 . . . . 0.0 109.165 -172.82 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.98 -47.71 61.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.792 -1.193 . . . . 0.0 112.89 -166.033 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 6' ' ' ASP . 19.1 tt -65.27 -47.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 125.914 1.686 . . . . 0.0 112.502 -174.315 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 5' ' ' ILE . 72.3 m-20 -47.29 -45.89 24.46 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 170.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.9 m -79.63 -28.76 40.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.179 0.99 . . . . 0.0 111.748 177.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -64.92 -46.82 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.626 -1.921 . . . . 0.0 108.698 174.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -50.36 -45.74 55.34 Favored 'General case' 0 N--CA 1.43 -1.473 1 O-C-N 115.483 -4.511 . . . . 0.0 121.401 169.299 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -78.81 -20.61 49.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.657 -1.277 . . . . 0.0 110.811 -175.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.284 29.1 mt -79.24 -30.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.598 172.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.69 -45.87 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.42 2.288 . . . . 0.0 114.345 174.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 p -71.04 -35.76 72.1 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.0 111.263 -177.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -61.08 -38.62 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.185 1.394 . . . . 0.0 112.799 170.294 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.12 75.39 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.595 -1.941 . . . . 0.0 112.824 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -65.55 -21.25 66.59 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.214 -1.554 . . . . 0.0 114.932 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.519 HG21 HG21 ' B' ' 17' ' ' ILE . 1.1 mm -62.53 -50.08 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.71 1.604 . . . . 0.0 112.987 167.828 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -41.63 74.97 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.476 -1.39 . . . . 0.0 114.416 173.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 24' ' ' GLU . 32.5 mt -69.61 -31.74 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.024 0.93 . . . . 0.0 111.258 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.256 0.8 OUTLIER -55.46 -42.18 73.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.974 -2.329 . . . . 0.0 113.225 168.535 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -90.97 1.19 57.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.52 -2.612 . . . . 0.0 115.083 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.258 7.7 t 59.16 49.11 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.072 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -113.73 45.68 1.41 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.365 2.266 . . . . 0.0 110.321 170.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HB3' HG12 ' A' ' 19' ' ' ILE 0.278 1.0 OUTLIER -74.27 -14.1 60.86 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 124.374 2.035 . . . . 0.0 114.422 -173.674 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -54.16 -35.04 61.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 166.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.31 -40.4 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 124.386 2.041 . . . . 0.0 111.508 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.24 -33.04 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.114 2.566 . . . . 0.0 111.049 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 10.6 tm-20 -69.47 -14.18 62.74 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.614 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -124.05 121.0 34.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.001 -1.687 . . . . 0.0 110.886 176.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -30.4 -63.58 0.14 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.001 3.32 . . . . 0.0 116.894 169.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.51 -24.65 56.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.063 -1.648 . . . . 0.0 114.489 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -81.72 -27.69 33.77 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.649 -1.907 . . . . 0.0 108.25 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -64.52 -50.17 68.39 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.194 0.998 . . . . 0.0 112.842 171.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 mt -53.86 -39.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.922 2.489 . . . . 0.0 114.424 171.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.84 84.54 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.402 -1.436 . . . . 0.0 110.707 175.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.331 3.2 t80 -53.09 -47.14 68.77 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.312 1.845 . . . . 0.0 113.278 169.215 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.63 -41.17 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.606 1.562 . . . . 0.0 115.105 173.312 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -75.18 -22.38 58.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.335 -1.478 . . . . 0.0 114.252 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.49 -57.71 5.4 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 119.567 1.076 . . . . 0.0 108.507 173.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 pt -71.65 -17.97 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 123.846 0.859 . . . . 0.0 112.636 -173.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.5 46.41 5.22 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 125.5 1.524 . . . . 0.0 116.71 172.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.66 101.17 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.272 1.536 . . . . 0.0 109.619 173.016 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -97.63 120.61 38.32 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.028 0.918 . . . . 0.0 109.413 -177.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 17.1 t60 -65.3 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.32 -1.487 . . . . 0.0 114.716 176.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -87.56 42.61 1.05 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.018 -2.301 . . . . 0.0 110.605 -179.166 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.06 19.14 79.5 Favored Glycine 0 N--CA 1.43 -1.754 0 O-C-N 119.063 -2.273 . . . . 0.0 114.788 -166.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -118.77 148.31 42.95 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.523 -1.575 . . . . 0.0 107.349 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.54 128.8 36.68 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.438 -0.789 . . . . 0.0 111.197 170.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.87 128.5 34.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.802 1.287 . . . . 0.0 111.856 -150.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.95 153.23 18.99 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.406 -1.434 . . . . 0.0 110.886 -170.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.674 -1.891 . . . . 0.0 114.93 -176.106 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -71.39 -34.64 70.58 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.982 1.713 . . . . 0.0 113.52 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.1 m -84.22 -23.73 30.35 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.664 -1.272 . . . . 0.0 112.35 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.49 -52.49 61.08 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.957 1.703 . . . . 0.0 110.029 167.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -61.09 -30.37 70.31 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.918 -1.114 . . . . 0.0 112.589 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.339 12.3 ptpt -71.17 -41.37 70.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 169.219 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.342 13.8 pt -57.12 -45.04 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.889 -1.757 . . . . 0.0 114.498 173.356 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.08 -43.37 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -74.82 -50.1 18.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.041 -1.662 . . . . 0.0 115.102 -173.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.264 10.3 pt-20 -87.59 12.74 11.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 -168.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 mt -44.12 145.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.727 2.811 . . . . 0.0 115.087 178.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.8 p -84.57 164.52 18.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 109.433 -175.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.01 -39.53 74.9 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.205 -1.559 . . . . 0.0 111.95 173.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -68.38 -29.49 68.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.573 2.349 . . . . 0.0 114.138 176.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.87 -38.68 76.48 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.445 -2.035 . . . . 0.0 111.502 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.72 -54.15 7.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.699 2.0 . . . . 0.0 109.66 -177.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -44.59 -32.79 1.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.926 1.29 . . . . 0.0 114.327 164.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 m -77.41 -37.92 50.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.092 -2.255 . . . . 0.0 110.421 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.0 -30.31 50.04 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.681 -1.262 . . . . 0.0 110.041 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.81 -41.3 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.25 -0.907 . . . . 0.0 113.431 171.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -69.61 -39.22 77.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 175.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.2 -32.37 18.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.846 -1.784 . . . . 0.0 113.181 -172.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -122.2 63.09 0.94 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.663 1.585 . . . . 0.0 109.3 -172.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -57.01 -71.12 0.1 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -166.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.09 -42.3 89.52 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.117 1.767 . . . . 0.0 111.753 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -63.08 5.48 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 126.029 1.776 . . . . 0.0 115.137 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.292 3.0 t80 -72.68 -41.07 65.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 117.648 -1.168 . . . . 0.0 110.08 -171.759 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -46.72 -47.28 20.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.082 2.219 . . . . 0.0 115.999 171.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.55 -63.79 3.54 Favored Glycine 0 N--CA 1.429 -1.826 0 C-N-CA 124.045 0.831 . . . . 0.0 114.881 172.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.77 -22.61 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 118.709 -2.642 . . . . 0.0 113.688 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.43 -35.84 65.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.979 -1.701 . . . . 0.0 112.969 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -49.42 -44.21 45.16 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.723 2.056 . . . . 0.0 114.256 164.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -68.1 -52.01 39.9 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.205 1.002 . . . . 0.0 108.754 -176.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.74 -30.1 70.72 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.171 -2.83 . . . . 0.0 116.297 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.78 -64.37 0.87 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.617 -1.302 . . . . 0.0 108.614 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 ptp -57.29 -23.98 51.95 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.01 3.337 . . . . 0.0 120.01 -177.093 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.3 m-30 -89.07 3.53 51.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.203 1.365 . . . . 0.0 111.325 -174.294 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 t -142.42 33.21 1.48 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.444 -0.785 . . . . 0.0 110.699 169.335 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -76.79 127.29 32.47 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.418 -2.051 . . . . 0.0 110.663 161.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm . . . . . 0 N--CA 1.429 -1.487 0 O-C-N 121.529 -0.732 . . . . 0.0 111.232 177.945 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -117.02 -156.18 0.61 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.79 -51.98 7.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.436 -2.04 . . . . 0.0 112.548 178.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.4 tt -41.13 -49.86 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.767 2.827 . . . . 0.0 115.358 170.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -56.65 -34.93 67.8 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.459 2.304 . . . . 0.0 113.567 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.53 -31.26 32.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 111.086 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.46 -42.73 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.489 -2.007 . . . . 0.0 111.698 170.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -52.85 -55.61 21.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 131.391 3.876 . . . . 0.0 114.099 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -67.47 -27.55 67.11 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.09 -27.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 120.365 -1.459 . . . . 0.0 113.112 173.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.07 -53.08 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 118.938 -2.351 . . . . 0.0 113.285 170.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -68.74 -39.74 80.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.037 0.935 . . . . 0.0 110.387 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.9 -36.4 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 167.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.32 -26.85 30.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.534 -1.979 . . . . 0.0 111.482 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.354 80.9 p -69.74 -22.73 63.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 168.259 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.611 HD11 HG13 ' A' ' 14' ' ' VAL . 21.1 mm -57.58 -53.59 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-N 120.866 1.667 . . . . 0.0 112.175 162.503 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 7.3 mt -64.66 -31.69 73.02 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.833 -175.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.76 -27.41 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.581 1.552 . . . . 0.0 110.451 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -51.01 71.64 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.02 1.328 . . . . 0.0 112.126 163.403 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.441 -1.412 . . . . 0.0 112.906 177.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.335 1.9 t 91.7 35.64 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.211 2.205 . . . . 0.0 111.286 169.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -118.99 57.02 0.89 Allowed 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 127.856 2.463 . . . . 0.0 110.681 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.56 -16.56 56.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 176.001 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -19.49 -53.32 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 129.39 3.076 . . . . 0.0 119.277 156.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -77.62 -36.26 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 124.671 1.189 . . . . 0.0 112.631 -177.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 t -67.92 -41.31 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 126.426 1.89 . . . . 0.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -54.98 -28.99 55.97 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 129.787 3.235 . . . . 0.0 116.052 -178.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -122.27 118.75 29.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.37 -1.457 . . . . 0.0 111.156 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -46.14 68.93 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.81 -27.86 66.23 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.401 -2.062 . . . . 0.0 115.433 -178.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.33 -31.04 30.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -62.15 -50.09 73.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.277 1.431 . . . . 0.0 112.722 170.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.415 ' HA ' ' HG ' ' B' ' 37' ' ' LEU . 37.7 mt -55.44 -39.04 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 128.036 2.534 . . . . 0.0 114.356 172.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.76 73.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.764 -1.21 . . . . 0.0 108.882 176.195 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 6.3 t80 -57.35 -40.62 78.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.967 2.507 . . . . 0.0 110.76 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' B' ' 34' ' ' ILE . 10.1 mt -55.67 -44.12 76.96 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 121.406 1.912 . . . . 0.0 114.119 172.215 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -68.66 -34.06 75.06 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.066 -1.646 . . . . 0.0 114.256 172.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.96 -49.46 70.24 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.463 -1.398 . . . . 0.0 114.74 173.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 pt -79.43 -25.44 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.032 -1.668 . . . . 0.0 110.685 -174.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.55 49.36 3.68 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -176.594 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.87 127.26 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 118.519 1.159 . . . . 0.0 109.848 157.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -118.31 149.48 41.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.48 1.912 . . . . 0.0 107.884 176.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.268 36.4 t60 -77.93 -103.07 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 111.528 174.163 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -87.66 51.51 2.24 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.248 -1.532 . . . . 0.0 109.94 -174.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.04 5.33 58.19 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.448 -1.407 . . . . 0.0 115.192 -169.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -123.95 171.41 9.74 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 119.673 1.737 . . . . 0.0 109.452 -173.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -72.98 136.82 45.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.39 124.28 34.82 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.491 -1.38 . . . . 0.0 111.755 -168.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.78 164.84 11.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.749 1.62 . . . . 0.0 111.726 -167.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.59 -43.29 69.68 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.03 -1.669 . . . . 0.0 112.374 -177.251 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -73.94 -38.49 64.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.94 -1.1 . . . . 0.0 113.256 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -76.3 -23.09 54.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.499 -1.375 . . . . 0.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -48.2 77.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.975 1.369 . . . . 0.0 110.803 168.29 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -66.4 -30.06 70.35 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.77 -1.206 . . . . 0.0 114.16 -177.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.335 0.1 OUTLIER -63.24 -52.15 63.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 164.741 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 57' ' ' ILE 0.322 28.8 pt -53.19 -47.75 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 120.756 1.616 . . . . 0.0 115.088 179.392 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.19 -28.91 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.678 -1.889 . . . . 0.0 115.809 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -90.39 -51.29 5.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.139 -1.6 . . . . 0.0 115.227 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.366 8.0 pt-20 -84.2 10.93 9.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -164.552 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.17 154.92 2.85 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.822 -1.173 . . . . 0.0 113.435 166.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -94.07 173.71 7.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.092 -1.63 . . . . 0.0 109.159 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.15 -44.72 94.77 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.289 -1.507 . . . . 0.0 111.966 172.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -56.23 -45.35 80.01 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 173.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.8 -35.19 79.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.607 1.563 . . . . 0.0 112.693 177.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -75.05 -46.51 34.38 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.467 -1.396 . . . . 0.0 108.736 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -34.69 58.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 167.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 73.0 m -61.77 -40.13 94.1 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.055 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -77.38 -39.53 46.96 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.531 -1.356 . . . . 0.0 112.595 175.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 73.8 mt -52.36 -42.07 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.042 1.337 . . . . 0.0 113.157 171.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -66.39 -42.21 88.24 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.409 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -87.64 -36.08 17.67 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.029 -1.669 . . . . 0.0 112.072 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.47 60.98 0.75 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.99 1.716 . . . . 0.0 110.072 -171.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -52.45 -64.98 0.64 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.024 1.393 . . . . 0.0 114.177 -173.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -39.05 89.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.143 -1.598 . . . . 0.0 114.358 -179.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.59 15.16 Favored Glycine 0 N--CA 1.43 -1.748 0 O-C-N 121.155 -0.966 . . . . 0.0 114.172 -175.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.47 -24.31 61.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.515 1.158 . . . . 0.0 108.979 -174.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.82 -58.1 9.61 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 118.941 -2.35 . . . . 0.0 112.982 169.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.36 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.672 0 O-C-N 120.64 -1.288 . . . . 0.0 113.517 174.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -66.22 -26.26 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.581 -2.129 . . . . 0.0 115.659 -172.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.54 -11.83 59.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.099 2.682 . . . . 0.0 112.968 177.225 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -64.28 -49.86 70.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.474 -2.641 . . . . 0.0 113.071 158.085 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.77 -61.57 2.21 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.624 2.37 . . . . 0.0 107.945 -171.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 88.2 mt -47.44 -38.57 13.77 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -74.93 -36.48 62.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.178 -1.577 . . . . 0.0 111.344 -175.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 16.0 ptp -78.18 -28.96 48.3 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.356 -175.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.47 -2.74 57.73 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.803 -1.186 . . . . 0.0 111.371 -175.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.344 0.0 OUTLIER -134.94 47.75 2.33 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 170.009 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -83.49 125.86 32.18 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 148.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? . . . . . 0 N--CA 1.43 -1.455 0 O-C-N 120.55 -1.343 . . . . 0.0 111.002 -166.421 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 122.439 1.114 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 79.0 mttt -111.02 -128.81 0.29 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.414 -1.429 . . . . 0.0 112.291 -163.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 4' ' ' ASN . 0.2 OUTLIER -71.58 -41.11 69.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 125.991 1.717 . . . . 0.0 113.725 -179.357 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 6' ' ' ASP . 20.0 tt -58.49 -52.58 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 127.415 2.286 . . . . 0.0 112.453 -173.535 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' N ' HG23 ' A' ' 5' ' ' ILE . 15.8 m-20 -48.82 -34.88 13.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.782 2.433 . . . . 0.0 114.146 176.646 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 m -84.27 -47.17 11.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.662 -2.524 . . . . 0.0 110.668 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG21 HD21 ' A' ' 61' ' ' LEU . 1.7 t -37.78 -52.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.61 -1.932 . . . . 0.0 115.773 161.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -51.45 -42.55 61.64 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 129.085 2.954 . . . . 0.0 116.603 176.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.72 -45.37 37.06 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.631 -1.918 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.465 ' H ' HG13 ' A' ' 11' ' ' ILE . 3.7 mt -59.95 -24.8 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 169.172 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.34 -48.0 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 117.305 -3.372 . . . . 0.0 112.628 172.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -63.92 -54.89 27.64 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.228 -1.545 . . . . 0.0 112.427 175.604 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.623 HG13 HD11 ' B' ' 17' ' ' ILE . 7.1 t -37.6 -35.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 118.749 2.87 . . . . 0.0 118.749 163.319 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.57 44.33 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 121.573 -0.704 . . . . 0.0 110.958 178.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.261 85.4 p -71.37 -6.29 38.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.2 -2.188 . . . . 0.0 115.276 172.311 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' B' ' 17' ' ' ILE . 2.7 mm -68.83 -55.98 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 118.93 -2.356 . . . . 0.0 107.641 167.233 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.58 -26.52 61.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 176.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -84.23 -25.92 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.472 -0.767 . . . . 0.0 111.838 174.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -43.27 76.36 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 118.938 -2.351 . . . . 0.0 113.596 163.271 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -83.66 -27.26 29.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 86.34 50.97 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.336 2.254 . . . . 0.0 110.115 -169.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -129.77 40.95 3.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.091 1.756 . . . . 0.0 107.15 177.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -76.51 -5.17 46.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.706 2.003 . . . . 0.0 113.307 177.05 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.49 -57.81 9.36 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 131.14 3.776 . . . . 0.0 111.591 164.061 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 26' ' ' ILE . 17.1 mt -47.09 -51.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 128.097 2.559 . . . . 0.0 114.913 166.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 t -57.45 -50.89 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 126.252 1.821 . . . . 0.0 111.948 -179.039 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.331 0.0 OUTLIER -38.06 -25.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 122.466 4.247 . . . . 0.0 122.466 175.454 . . . . . . . . 5 4 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -119.42 133.63 55.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.15 -1.593 . . . . 0.0 111.278 172.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 ttp85 -51.54 -50.83 59.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.504 2.721 . . . . 0.0 112.239 173.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.71 73.48 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -175.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -62.23 -38.71 90.23 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.106 1.362 . . . . 0.0 111.672 171.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -59.83 -55.16 37.71 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.552 1.941 . . . . 0.0 111.035 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -53.31 -45.06 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.42 2.688 . . . . 0.0 115.258 172.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -43.41 98.9 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.864 -1.773 . . . . 0.0 114.086 173.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -58.7 -31.49 68.3 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.482 1.913 . . . . 0.0 112.884 169.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.59 -50.93 63.29 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.821 -1.174 . . . . 0.0 111.743 171.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.14 -42.25 76.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 173.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.57 -62.76 1.45 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.051 1.741 . . . . 0.0 113.737 167.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 17' ' ' ILE 0.292 16.3 pt -68.6 -32.68 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-O 122.754 1.264 . . . . 0.0 113.38 -172.308 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 20.56 12.7 Favored Glycine 0 N--CA 1.429 -1.782 0 C-N-CA 127.596 2.522 . . . . 0.0 114.512 170.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.76 97.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 123.904 1.812 . . . . 0.0 113.766 169.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -56.93 164.88 1.41 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 161.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.379 27.7 t60 -93.71 -120.34 0.09 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 111.772 -2.467 . . . . 0.0 112.333 144.859 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 130.699 3.599 . . . . 0.0 120.612 169.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.8 12.89 55.29 Favored Glycine 0 N--CA 1.43 -1.76 1 C-N-CA 131.377 4.322 . . . . 0.0 113.556 -166.498 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -97.14 143.57 27.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.767 -2.216 . . . . 0.0 115.103 170.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -66.25 125.5 25.78 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.754 0.822 . . . . 0.0 112.284 -172.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 119.3 19.93 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -160.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -86.78 158.79 19.31 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.834 2.054 . . . . 0.0 112.388 -172.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.45 -48.4 70.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.993 -1.692 . . . . 0.0 114.68 -178.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.62 -60.3 4.02 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.05 -1.656 . . . . 0.0 115.423 168.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -64.38 -16.15 61.77 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -55.26 -60.64 3.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 117.642 -3.161 . . . . 0.0 114.125 154.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -57.38 -21.9 39.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -69.07 -56.05 8.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 114.29 162.651 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.337 35.5 pt -47.48 -46.84 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 178.668 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.03 -42.34 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 m -74.92 -68.96 0.5 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -177.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.305 5.9 pt-20 -49.61 11.06 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 121.037 3.718 . . . . 0.0 121.037 -178.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 8' ' ' VAL . 87.7 mt -60.32 131.37 50.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.423 1.489 . . . . 0.0 111.788 172.182 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 p -74.92 160.06 31.07 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 122.32 1.057 . . . . 0.0 111.317 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -45.82 -44.09 13.9 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.654 1.582 . . . . 0.0 113.615 167.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.78 -45.86 90.69 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.973 1.709 . . . . 0.0 115.194 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -58.49 -41.08 84.54 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 123.515 0.726 . . . . 0.0 111.618 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -78.74 -39.82 35.13 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.263 1.825 . . . . 0.0 110.96 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -43.28 63.67 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.618 1.167 . . . . 0.0 110.581 165.229 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -65.95 -33.07 74.99 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.21 -31.33 65.77 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.078 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.78 -53.41 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 126.297 1.839 . . . . 0.0 111.635 178.065 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -59.56 -44.07 93.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.383 -2.073 . . . . 0.0 112.909 176.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.73 -45.42 61.82 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.294 -1.321 . . . . 0.0 112.131 -176.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.52 43.26 2.67 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.003 -2.311 . . . . 0.0 116.901 -177.243 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -27.28 -61.81 0.09 Allowed 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 123.544 4.646 . . . . 0.0 123.544 -176.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.73 -32.05 41.13 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 118.632 -2.542 . . . . 0.0 110.213 -170.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -83.04 -44.29 7.16 Favored Glycine 0 N--CA 1.43 -1.74 0 N-CA-C 106.031 -2.828 . . . . 0.0 106.031 -162.17 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.27 39.0 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 -172.171 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -54.93 -46.75 74.98 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 169.161 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.4 -59.24 4.25 Favored Glycine 0 N--CA 1.43 -1.747 1 C-N-CA 113.877 -4.011 . . . . 0.0 115.08 178.273 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 76' ' ' GLY 0.313 3.5 m -57.35 -21.05 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 174.054 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -72.12 -28.05 63.02 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 122.437 2.381 . . . . 0.0 113.847 170.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -64.46 -39.76 94.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 115.905 -2.318 . . . . 0.0 110.992 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.92 -19.64 61.23 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -93.88 -6.32 45.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.456 -2.653 . . . . 0.0 109.256 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.16 -75.08 0.37 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.735 166.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.327 14.7 ptp -48.02 -41.39 25.49 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -165.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 6.6 m-85 -74.79 -5.44 43.46 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 173.138 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.306 8.9 t -147.79 57.72 1.1 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.173 1.806 . . . . 0.0 111.364 175.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -109.42 122.5 47.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.93 1.692 . . . . 0.0 106.52 165.294 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt . . . . . 0 N--CA 1.43 -1.442 0 C-N-CA 124.247 1.019 . . . . 0.0 109.193 -179.917 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 p30 . . . . . 0 N--CA 1.43 -1.463 0 CA-C-O 120.904 0.383 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.476 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 88.6 mttt -111.24 -125.89 0.27 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.427 -2.046 . . . . 0.0 109.565 -169.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -68.51 -48.26 64.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.708 -1.87 . . . . 0.0 113.717 -175.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 tt -59.26 -49.47 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.386 1.874 . . . . 0.0 114.846 -177.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.15 -45.96 92.5 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.2 m -59.79 -42.14 92.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.671 -1.893 . . . . 0.0 114.826 168.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 t -57.02 -40.26 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.996 -1.69 . . . . 0.0 111.375 173.642 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -62.77 -47.28 84.17 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 129.876 3.27 . . . . 0.0 115.42 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.18 -33.62 73.67 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 123.152 1.453 . . . . 0.0 111.541 177.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.255 61.0 mt -69.71 -41.42 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 113.578 175.24 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.7 mt -48.37 -53.12 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 127.134 2.173 . . . . 0.0 114.582 168.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -65.64 -33.95 77.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.575 1.55 . . . . 0.0 112.963 -177.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 17' ' ' ILE . 5.2 t -61.91 -51.3 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.4 1.88 . . . . 0.0 113.948 164.449 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.12 95.81 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 117.556 -3.215 . . . . 0.0 115.898 176.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.347 20.6 p -55.22 -22.44 17.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 168.169 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' A' ' 17' ' ' ILE . 8.8 mm -60.04 -53.54 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 CA-C-N 120.254 1.388 . . . . 0.0 112.239 163.516 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.28 -49.96 75.31 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.321 -1.487 . . . . 0.0 113.179 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -53.7 -38.14 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.958 -1.714 . . . . 0.0 115.231 168.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.311 0.0 OUTLIER -54.27 -45.81 72.52 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.598 1.559 . . . . 0.0 112.864 170.729 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -85.12 7.74 20.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.688 1.995 . . . . 0.0 115.67 174.18 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 62.93 37.22 12.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.925 -1.734 . . . . 0.0 114.545 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -112.63 56.69 0.67 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.208 1.403 . . . . 0.0 109.385 174.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.371 0.0 OUTLIER -73.0 -20.5 61.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.704 -1.247 . . . . 0.0 113.8 171.027 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -49.19 -38.07 24.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.627 2.371 . . . . 0.0 113.145 165.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mt -76.84 -30.32 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 111.889 -3.924 . . . . 0.0 112.364 177.106 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.36 -28.23 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.287 -167.025 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.2 pt-20 -69.65 1.94 3.71 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -171.317 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -134.55 135.63 42.44 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.173 -1.58 . . . . 0.0 106.954 177.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -71.38 -48.15 51.82 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.481 -2.012 . . . . 0.0 113.267 -177.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.45 33.0 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.447 -3.283 . . . . 0.0 119.69 175.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.82 -25.05 18.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 121.991 0.901 . . . . 0.0 110.938 169.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -70.28 -55.15 9.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.557 1.143 . . . . 0.0 108.799 173.007 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' B' ' 51' ' ' GLN . 13.4 mt -50.26 -50.32 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.477 2.711 . . . . 0.0 114.628 169.439 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.04 19.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 171.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.419 ' HA ' ' HB2' ' B' ' 39' ' ' GLU . 1.1 t80 -85.35 -24.82 27.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.984 0.914 . . . . 0.0 113.12 172.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.9 -38.17 67.0 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.956 -2.34 . . . . 0.0 110.015 176.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.27 -58.45 8.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.9 1.28 . . . . 0.0 112.041 168.3 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 36' ' ' PHE . 21.4 mm-40 -36.35 -47.07 0.58 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -96.77 -33.13 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.268 -1.52 . . . . 0.0 111.507 -175.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 57.35 1.22 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -172.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -97.55 118.36 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 160.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -125.39 158.94 33.05 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.039 2.135 . . . . 0.0 114.596 -171.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 7.3 t60 -82.2 -92.19 0.06 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.471 -177.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' CD2' ' B' ' 44' ' ' HIS . 7.6 mp0 -92.14 46.13 1.25 Allowed 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 117.32 -1.752 . . . . 0.0 108.382 -166.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.96 6.42 87.31 Favored Glycine 0 N--CA 1.43 -1.739 0 C-N-CA 127.509 2.481 . . . . 0.0 114.304 -167.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -125.28 154.75 41.24 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.259 2.03 . . . . 0.0 108.832 -165.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.12 134.35 53.57 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.548 -1.345 . . . . 0.0 110.792 -168.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 144.08 26.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -153.199 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -100.27 161.99 13.25 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -173.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' B' ' 34' ' ' ILE . 67.2 mt-30 -72.66 -49.67 30.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.103 1.32 . . . . 0.0 112.799 173.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.7 -66.76 0.33 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.049 -1.657 . . . . 0.0 114.494 169.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -18.11 0.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.809 2.522 . . . . 0.0 117.809 168.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.413 ' CZ ' HG11 ' B' ' 58' ' ' VAL . 68.1 t80 -82.85 -32.1 27.66 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.573 -3.204 . . . . 0.0 110.84 174.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -79.92 -18.02 51.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.427 1.639 . . . . 0.0 115.427 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -53.3 15.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.734 -1.229 . . . . 0.0 111.927 163.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.264 10.1 pt -54.66 -46.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.413 HG11 ' CZ ' ' B' ' 54' ' ' PHE . 26.8 m -75.44 -31.77 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -172.088 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -77.5 -71.02 0.44 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 175.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -47.32 -6.39 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 -173.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 mt -40.12 136.08 1.25 Allowed 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.23 -2.169 . . . . 0.0 114.872 165.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . 0.262 23.4 p -82.4 177.86 8.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 122.915 1.34 . . . . 0.0 109.298 -178.282 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.6 -20.89 65.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.475 -2.016 . . . . 0.0 110.35 167.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.43 -49.33 9.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.039 -2.288 . . . . 0.0 108.373 -173.592 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -44.22 -43.86 7.48 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.533 2.79 . . . . 0.0 118.533 166.058 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -83.95 -30.42 26.29 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 118.361 -2.712 . . . . 0.0 106.627 -174.317 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -31.32 68.08 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.455 -2.028 . . . . 0.0 109.251 176.237 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -60.43 -37.98 82.62 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 163.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 mt -85.36 -4.52 59.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.479 -1.388 . . . . 0.0 111.382 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.44 -23.22 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 121.187 -0.946 . . . . 0.0 108.455 173.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.33 -57.11 3.51 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.971 -2.331 . . . . 0.0 106.848 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.63 -22.2 57.04 Favored 'General case' 0 N--CA 1.429 -1.475 1 N-CA-C 125.112 5.227 . . . . 0.0 125.112 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.15 54.55 1.43 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 121.253 1.842 . . . . 0.0 107.703 -170.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -44.87 -68.59 0.19 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.484 2.313 . . . . 0.0 116.49 -166.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.58 -53.5 11.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.515 1.526 . . . . 0.0 109.702 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.82 -68.22 0.8 Allowed Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 127.174 2.321 . . . . 0.0 115.344 178.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.346 1.1 t80 -64.39 -53.8 42.79 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.21 -178.044 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -38.33 -44.33 0.89 Allowed 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.48 3.53 Favored Glycine 0 N--CA 1.429 -1.773 0 CA-C-O 122.367 0.982 . . . . 0.0 113.214 174.451 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.66 -19.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.181 -2.364 . . . . 0.0 113.912 -174.371 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -83.19 -19.6 36.23 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.242 2.217 . . . . 0.0 115.617 174.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.94 -33.44 73.73 Favored 'General case' 0 N--CA 1.429 -1.481 1 C-N-CA 108.617 -5.233 . . . . 0.0 116.614 154.217 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.43 -56.44 7.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 125.757 1.911 . . . . 0.0 107.589 -171.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . 0.324 82.7 mt -67.58 -23.35 65.38 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 117.064 -3.522 . . . . 0.0 115.239 177.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.98 -49.86 14.5 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 116.98 -1.888 . . . . 0.0 110.407 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.28 4.8 ptp -54.68 -19.64 6.59 Favored 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 124.236 4.902 . . . . 0.0 124.236 165.492 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 16.1 m-85 -95.79 0.07 51.89 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 120.276 -1.515 . . . . 0.0 110.021 -176.627 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.335 5.0 t -152.52 39.56 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 123.269 1.509 . . . . 0.0 112.164 174.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -84.0 132.11 34.77 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 119.631 -1.918 . . . . 0.0 108.161 145.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -179.197 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 50.9 mttp -103.65 172.73 6.64 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.334 -170.133 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -64.75 -50.88 65.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.226 -2.171 . . . . 0.0 111.592 -177.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -48.75 -47.37 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 C-N-CA 126.307 1.843 . . . . 0.0 115.961 170.027 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.34 -54.56 44.08 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.716 1.606 . . . . 0.0 112.368 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 83.9 m -67.29 -29.92 69.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.665 -1.272 . . . . 0.0 114.16 175.499 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 t -61.81 -46.02 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.888 -2.382 . . . . 0.0 111.896 171.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -51.36 -54.59 24.93 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.373 2.669 . . . . 0.0 112.821 178.417 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -72.03 -19.16 61.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.736 -1.853 . . . . 0.0 115.148 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' CG1' HG11 ' A' ' 42' ' ' VAL . 50.6 mt -80.19 -37.23 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.693 -1.879 . . . . 0.0 110.13 173.085 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mt -52.14 -42.14 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 127.401 2.281 . . . . 0.0 114.96 171.03 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.421 HG21 HG22 ' B' ' 42' ' ' VAL . 2.5 p -68.08 -54.0 21.4 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.815 -1.178 . . . . 0.0 110.026 -179.414 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 t -49.79 -45.98 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.665 1.986 . . . . 0.0 115.886 169.387 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.63 91.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.77 -1.831 . . . . 0.0 111.503 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -20.74 66.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 172.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' B' ' 17' ' ' ILE . 2.9 mm -67.66 -46.74 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.187 1.795 . . . . 0.0 110.47 174.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 mp -60.64 -34.99 75.1 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.075 0.95 . . . . 0.0 112.032 176.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.3 mt -73.02 -27.0 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.683 -1.261 . . . . 0.0 112.96 176.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.184 1.393 . . . . 0.0 111.695 169.686 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -95.99 8.57 43.34 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.95 -1.719 . . . . 0.0 114.825 177.367 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 74.6 9.34 4.26 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -93.38 43.81 1.12 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.541 1.936 . . . . 0.0 113.104 -176.073 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -63.55 -21.25 66.23 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 177.063 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.18 -40.7 7.45 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 168.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.73 -42.19 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 126.147 1.779 . . . . 0.0 110.48 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.25 -37.87 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.318 1.047 . . . . 0.0 111.633 175.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -70.33 -20.52 62.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.939 2.496 . . . . 0.0 114.492 -175.172 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -110.43 105.58 14.61 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.13 1.372 . . . . 0.0 107.651 -179.204 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -42.2 -56.07 3.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.688 3.195 . . . . 0.0 114.079 177.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.4 -51.43 44.07 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -178.386 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -50.03 -34.31 20.95 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.675 1.59 . . . . 0.0 113.384 170.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.68 -51.6 66.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 170.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 128.834 2.853 . . . . 0.0 114.008 175.33 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.0 86.53 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 125.786 1.634 . . . . 0.0 113.665 169.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 3.7 t80 -69.35 -39.55 78.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.364 1.466 . . . . 0.0 110.72 176.147 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.44 -49.03 73.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.085 1.354 . . . . 0.0 113.146 171.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -71.28 -31.68 67.78 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.711 -1.868 . . . . 0.0 114.512 176.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.72 -56.61 15.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 167.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 HD12 ' B' ' 17' ' ' ILE 0.258 0.2 OUTLIER -84.21 -15.91 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 120.66 -1.275 . . . . 0.0 113.534 -175.117 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.11 42.73 4.89 Favored Glycine 0 N--CA 1.431 -1.67 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.9 t -83.87 108.42 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 164.046 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.0 p -119.13 126.95 52.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -169.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.435 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 6.3 t60 -67.59 -71.1 0.22 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.485 -2.01 . . . . 0.0 114.422 -171.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.96 41.74 1.3 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.337 -1.477 . . . . 0.0 109.682 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.96 23.35 63.54 Favored Glycine 0 N--CA 1.429 -1.79 0 N-CA-C 117.017 1.567 . . . . 0.0 117.017 -170.088 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -121.76 179.0 4.63 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 119.356 1.578 . . . . 0.0 107.152 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.52 138.35 48.83 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.375 -1.453 . . . . 0.0 111.889 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.67 121.15 40.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.832 1.301 . . . . 0.0 108.871 -167.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.67 168.5 10.63 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.514 1.125 . . . . 0.0 110.782 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -74.47 -40.06 62.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.496 -1.377 . . . . 0.0 111.901 179.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -67.93 -52.37 36.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.224 -0.922 . . . . 0.0 111.885 171.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.5 m -67.61 -15.09 63.47 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.92 -50.48 49.01 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.749 1.738 . . . . 0.0 110.06 170.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -64.54 -30.42 71.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.758 -1.839 . . . . 0.0 112.497 -176.27 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -65.95 -28.92 69.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 167.116 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.355 22.3 pt -67.21 -53.55 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 119.78 -1.825 . . . . 0.0 112.225 172.559 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.58 -40.48 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -173.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -75.41 -44.59 43.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.536 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -93.21 11.54 27.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 -164.29 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.65 140.95 10.38 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.832 -1.168 . . . . 0.0 113.923 171.011 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.0 p -86.88 178.51 6.95 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.593 1.557 . . . . 0.0 109.285 -176.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.24 -46.89 81.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.524 -1.985 . . . . 0.0 111.144 169.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 2.4 mp0 -46.26 -40.11 11.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.613 2.82 . . . . 0.0 118.613 170.292 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.34 -37.79 71.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.284 -1.51 . . . . 0.0 113.302 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.77 -28.15 30.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.88 -1.138 . . . . 0.0 111.616 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -44.75 95.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.007 2.123 . . . . 0.0 109.536 171.374 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.8 m -56.55 -39.49 73.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.796 1.238 . . . . 0.0 114.316 172.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.1 -37.87 64.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.018 -1.676 . . . . 0.0 113.784 174.409 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.44 -38.42 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.472 1.909 . . . . 0.0 113.518 174.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.2 -48.17 82.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.286 -1.509 . . . . 0.0 115.055 172.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -94.99 -20.12 19.63 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -166.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -134.05 64.42 1.6 Allowed 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.398 -2.064 . . . . 0.0 107.109 -170.005 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -55.27 -71.89 0.08 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.603 1.561 . . . . 0.0 114.868 -163.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.09 -42.63 75.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 112.993 176.238 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -66.48 -43.86 91.46 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 124.773 1.177 . . . . 0.0 114.341 -168.279 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.36 0.1 OUTLIER -76.32 -43.52 40.89 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.818 177.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -49.0 -47.91 43.92 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.223 2.283 . . . . 0.0 115.854 -178.013 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.56 -59.66 6.99 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 114.386 0.515 . . . . 0.0 114.386 174.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.6 m -66.77 -26.91 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.888 -1.948 . . . . 0.0 113.438 -172.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -68.11 -42.53 80.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.453 -1.404 . . . . 0.0 113.695 177.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -46.86 -45.24 20.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.194 1.816 . . . . 0.0 115.423 166.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.18 -54.63 30.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.514 1.526 . . . . 0.0 107.945 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.83 -30.86 64.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 174.011 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -71.37 -65.6 0.73 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.267 1.394 . . . . 0.0 111.634 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.9 ptp -54.58 -28.3 45.1 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -175.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 15.7 m-85 -80.9 -4.72 55.85 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.333 1.053 . . . . 0.0 113.068 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.95 84.77 1.85 Allowed 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.605 1.193 . . . . 0.0 109.234 173.374 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -120.28 102.53 8.55 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 156.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.44 0 C-N-CA 123.035 0.534 . . . . 0.0 109.643 164.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 122.497 1.142 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -113.33 168.43 9.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.565 1.146 . . . . 0.0 108.061 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.48 -47.05 80.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.634 -1.291 . . . . 0.0 112.651 -171.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -61.29 -41.44 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 127.351 2.26 . . . . 0.0 112.09 -176.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.13 -31.07 69.5 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 123.968 0.907 . . . . 0.0 111.764 -177.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -38.89 92.0 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.379 -1.45 . . . . 0.0 112.827 169.365 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.2 -35.62 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 120.307 -1.496 . . . . 0.0 109.401 179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -45.75 62.75 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.995 2.918 . . . . 0.0 114.586 -171.738 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -64.09 -37.28 86.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.671 -1.268 . . . . 0.0 113.875 168.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mt -76.8 -24.54 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.269 -2.77 . . . . 0.0 114.119 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.89 -49.63 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.18 -2.2 . . . . 0.0 112.019 173.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.6 p -67.18 -33.26 75.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.182 1.793 . . . . 0.0 113.265 178.356 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 17' ' ' ILE . 7.2 t -63.34 -47.54 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 124.822 1.249 . . . . 0.0 113.934 167.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.35 -33.05 49.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.838 -2.414 . . . . 0.0 113.931 -176.391 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.55 ' HB3' HG11 ' B' ' 80' ' ' VAL . 89.9 p -66.76 -22.54 66.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.92 -1.737 . . . . 0.0 114.428 168.238 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.47 -50.54 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-N 120.058 1.299 . . . . 0.0 113.301 156.402 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.405 ' CD1' HG22 ' B' ' 17' ' ' ILE . 2.4 mp -59.42 -42.25 91.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.313 -1.492 . . . . 0.0 112.871 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.401 HD12 HG12 ' B' ' 80' ' ' VAL . 22.5 mt -66.03 -36.34 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.444 -1.41 . . . . 0.0 113.999 171.551 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -54.45 -44.52 72.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.949 -1.72 . . . . 0.0 112.825 169.606 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' B' ' 17' ' ' ILE . 22.8 m-85 -85.77 11.56 10.84 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.625 1.57 . . . . 0.0 114.272 176.355 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 54.16 41.22 32.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.161 2.584 . . . . 0.0 115.778 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -111.21 52.78 0.73 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.418 1.487 . . . . 0.0 110.481 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER -75.42 -13.16 60.37 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.24 -25.38 67.03 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.592 -1.317 . . . . 0.0 113.604 166.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.9 -50.34 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.861 -1.775 . . . . 0.0 110.08 169.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.51 -37.6 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.434 1.493 . . . . 0.0 114.166 -174.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.9 tt0 -53.43 -23.73 10.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 173.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.24 109.61 19.39 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.985 -1.697 . . . . 0.0 110.568 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -36.81 -61.45 0.54 Allowed 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 129.473 3.109 . . . . 0.0 113.939 169.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.83 91.44 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.776 -1.827 . . . . 0.0 115.632 -177.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -61.17 -31.6 71.34 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 119.923 1.238 . . . . 0.0 113.156 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.52 -52.01 55.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.666 1.586 . . . . 0.0 112.675 174.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.8 -38.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.767 3.227 . . . . 0.0 114.18 170.5 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.75 72.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.458 1.123 . . . . 0.0 108.566 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.333 1.7 t80 -60.85 -33.03 72.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 171.079 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.75 -33.8 76.47 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.164 -2.835 . . . . 0.0 114.327 172.361 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -72.5 -27.37 62.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.516 -1.365 . . . . 0.0 113.08 171.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.2 -58.09 4.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.823 1.249 . . . . 0.0 113.299 176.205 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.483 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -83.27 -19.13 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.889 -1.757 . . . . 0.0 111.927 -171.71 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 32.47 7.06 Favored Glycine 0 N--CA 1.429 -1.795 0 O-C-N 120.56 -1.337 . . . . 0.0 115.36 172.273 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 HD11 ' B' ' 40' ' ' ILE . 60.6 t -70.88 101.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.163 1.459 . . . . 0.0 110.072 166.286 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -115.39 120.61 40.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.356 1.862 . . . . 0.0 108.353 -173.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -66.32 -78.47 0.05 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -172.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -95.15 39.1 1.12 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.471 -2.018 . . . . 0.0 110.284 175.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 17.05 78.48 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.399 -1.438 . . . . 0.0 114.659 -168.055 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -119.68 156.61 30.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.644 -1.504 . . . . 0.0 109.697 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -62.38 131.65 49.97 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.68 1.592 . . . . 0.0 113.129 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 120.61 24.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.578 1.656 . . . . 0.0 112.815 -175.232 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -94.5 163.65 13.31 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.067 1.747 . . . . 0.0 112.137 -176.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.59 -34.37 69.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -77.28 -33.88 55.71 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.398 -1.439 . . . . 0.0 111.601 175.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.0 m -74.21 -30.96 62.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.979 1.312 . . . . 0.0 112.922 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -58.35 -48.87 79.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 123.793 1.759 . . . . 0.0 112.417 168.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 -66.37 -33.64 76.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.656 -1.277 . . . . 0.0 112.904 -177.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -65.7 -49.33 68.93 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.243 -1.535 . . . . 0.0 113.974 168.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 33.6 pt -53.34 -45.18 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 120.326 1.421 . . . . 0.0 114.444 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.6 -42.85 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -87.59 -43.91 11.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -174.346 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.04 7.83 4.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.476 1.943 . . . . 0.0 115.25 -169.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.54 144.61 30.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.056 1.342 . . . . 0.0 113.01 176.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.1 p -86.18 170.1 12.46 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.3 -39.11 85.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.203 -1.561 . . . . 0.0 112.591 172.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.07 -39.18 88.89 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 173.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.35 -44.4 96.58 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.262 -1.524 . . . . 0.0 112.541 174.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -76.01 -39.93 54.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.774 1.229 . . . . 0.0 111.02 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.13 67.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 113.174 163.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 74.8 m -64.91 -40.17 94.67 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.465 -0.772 . . . . 0.0 111.737 -178.663 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.3 -48.72 72.15 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.977 -1.077 . . . . 0.0 113.42 172.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.22 -48.15 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.151 1.78 . . . . 0.0 114.129 171.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.87 -34.25 76.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -100.61 -41.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -175.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -102.3 56.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 119.466 -2.021 . . . . 0.0 112.058 -171.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -41.03 -72.65 0.06 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -173.057 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.84 -62.61 1.39 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 113.874 -170.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -48.98 -55.74 11.18 Favored Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 174.346 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.612 2.206 . . . . 0.0 110.67 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -55.2 -57.73 10.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.088 1.767 . . . . 0.0 111.53 169.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.66 -68.75 1.53 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 121.68 -0.637 . . . . 0.0 114.08 175.198 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.55 HG11 ' HB3' ' B' ' 16' ' ' SER . 5.5 m -63.2 -25.08 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 O-C-N 120.082 -1.834 . . . . 0.0 115.883 -171.018 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.74 -20.92 59.63 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 173.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -60.5 -45.76 92.59 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.287 -2.133 . . . . 0.0 112.6 164.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.89 -61.8 1.76 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.101 2.16 . . . . 0.0 109.411 -173.409 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.8 mt -52.77 -33.35 48.11 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.224 2.21 . . . . 0.0 115.337 178.608 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.29 -44.6 44.82 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 121.69 -0.631 . . . . 0.0 111.507 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.4 ptp -69.69 -39.07 77.16 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -171.253 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 15.5 m-85 -74.65 -5.52 43.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.507 1.523 . . . . 0.0 113.604 -176.421 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -142.81 33.81 1.4 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.312 -1.492 . . . . 0.0 111.064 175.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -86.29 103.26 14.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.044 -1.66 . . . . 0.0 109.404 163.271 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm . . . . . 0 N--CA 1.43 -1.457 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 11.9 tt -61.56 -47.41 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 124.719 1.208 . . . . 0.0 114.029 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 13.6 m-20 -40.98 -39.86 1.27 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.5 2.72 . . . . 0.0 116.223 174.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.7 m -86.14 -45.57 11.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.065 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 t -56.16 -39.9 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.369 -2.082 . . . . 0.0 113.926 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -49.53 -60.23 3.04 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 129.469 3.107 . . . . 0.0 112.796 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 10' ' ' GLU . 10.4 pt-20 -72.5 -12.6 61.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 118.186 2.662 . . . . 0.0 118.186 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.2 mt -90.63 -15.28 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.664 -1.897 . . . . 0.0 110.234 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.21 -52.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.033 -2.917 . . . . 0.0 109.215 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -57.14 -56.96 14.96 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.04 1.336 . . . . 0.0 111.375 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 9.2 t -46.1 -53.09 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 128.609 2.764 . . . . 0.0 113.053 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.95 -13.47 59.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 112.7 -3.6 . . . . 0.0 112.964 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 p -78.07 -17.33 57.13 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 119.024 -0.512 . . . . 0.0 112.178 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' B' ' 17' ' ' ILE . 6.6 mm -60.7 -50.97 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 125.897 1.679 . . . . 0.0 110.536 165.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 mp -64.39 -28.52 69.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.47 1.108 . . . . 0.0 112.504 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.397 54.7 mt -74.6 -44.07 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 121.186 -0.946 . . . . 0.0 112.671 170.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -40.07 59.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 126.772 2.029 . . . . 0.0 114.812 168.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -88.5 -2.49 58.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.31 -1.494 . . . . 0.0 114.314 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.262 0.9 OUTLIER 64.83 50.55 1.97 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.069 2.548 . . . . 0.0 115.038 176.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -124.81 44.85 2.67 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 130.882 3.673 . . . . 0.0 110.294 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.381 0.0 OUTLIER -53.07 -28.11 23.35 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -43.84 -39.22 3.73 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 119.518 3.155 . . . . 0.0 119.518 168.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.61 -37.97 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.258 -2.151 . . . . 0.0 113.078 173.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 t -70.07 -27.2 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 125.991 1.717 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -73.13 -4.17 31.04 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.936 2.494 . . . . 0.0 115.169 -169.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.26 130.07 24.53 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 117.134 -3.478 . . . . 0.0 110.323 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -59.41 -43.24 93.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -70.3 -51.57 29.33 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 118.29 -2.756 . . . . 0.0 115.528 -175.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -44.2 -36.16 2.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.31 -42.81 53.7 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.304 1.842 . . . . 0.0 113.034 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.8 mt -55.51 -43.34 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 128.062 2.545 . . . . 0.0 112.807 170.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.84 67.75 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.355 -1.466 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 26.5 t80 -46.2 -44.6 16.25 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.209 2.204 . . . . 0.0 113.704 166.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.57 -52.46 64.73 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.034 -1.666 . . . . 0.0 114.517 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.63 -37.53 87.69 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.17 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.61 -49.48 77.58 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.776 2.03 . . . . 0.0 115.889 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.282 0.1 OUTLIER -87.16 -11.75 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 120.623 1.556 . . . . 0.0 111.757 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 33.0 6.58 Favored Glycine 0 N--CA 1.43 -1.706 0 N-CA-C 117.964 1.946 . . . . 0.0 117.964 171.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 HG21 ' B' ' 13' ' ' THR . 23.5 t -80.04 120.47 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 120.54 2.17 . . . . 0.0 111.422 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.3 p -100.74 158.49 15.92 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.403 1.081 . . . . 0.0 111.065 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HG3' ' A' ' 45' ' ' GLU . 5.9 t60 -82.81 -101.13 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.945 -1.722 . . . . 0.0 113.41 162.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 87.4 mt-10 -89.89 53.57 2.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.683 -1.886 . . . . 0.0 108.105 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.06 0.34 55.91 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 117.553 1.781 . . . . 0.0 117.553 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -111.99 168.44 9.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.544 1.164 . . . . 0.0 111.082 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -70.14 153.78 42.72 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.476 -1.39 . . . . 0.0 109.898 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.95 113.75 27.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.953 1.359 . . . . 0.0 113.956 -163.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -90.1 157.75 17.62 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.504 -168.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.25 -46.29 87.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -70.75 -43.06 69.6 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.026 -1.671 . . . . 0.0 114.449 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -73.2 -19.26 61.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.334 -1.479 . . . . 0.0 113.337 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.89 -53.13 60.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.653 1.581 . . . . 0.0 112.225 163.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -64.19 -37.1 86.26 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.457 -1.402 . . . . 0.0 113.34 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -62.63 -34.3 76.76 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.319 43.1 pt -65.3 -49.21 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.093 -1.629 . . . . 0.0 114.189 173.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.18 -40.94 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.0 m -83.25 -55.72 4.18 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.126 1.37 . . . . 0.0 113.948 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.606 4.4 pt-20 -74.79 13.21 0.68 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -170.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.58 157.13 4.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.835 1.654 . . . . 0.0 111.433 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -87.86 173.55 8.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.934 -1.729 . . . . 0.0 108.287 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -63.09 -41.5 99.41 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 118.963 -2.336 . . . . 0.0 112.513 170.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -46.09 -56.55 5.45 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.8 -33.81 37.27 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -81.8 -48.74 11.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.934 1.294 . . . . 0.0 108.815 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -48.97 -39.7 27.58 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.7 m -63.44 -34.94 78.85 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.77 -45.03 65.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.307 -2.12 . . . . 0.0 111.49 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.3 mt -56.47 -39.62 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 126.444 1.898 . . . . 0.0 114.061 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.27 -37.25 77.81 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -94.62 -26.33 16.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.914 -1.742 . . . . 0.0 112.912 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.29 60.01 1.32 Allowed 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 -170.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -54.0 -70.9 0.08 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -165.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -73.78 -31.28 63.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.71 1.204 . . . . 0.0 112.276 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.61 -50.4 25.64 Favored Glycine 0 N--CA 1.431 -1.684 0 O-C-N 120.765 -1.209 . . . . 0.0 112.28 -171.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 0.1 OUTLIER -70.6 -46.11 64.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 115.943 -1.98 . . . . 0.0 110.806 178.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -36.54 -61.22 0.54 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 122.558 2.436 . . . . 0.0 116.484 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.11 9.27 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 121.678 -0.639 . . . . 0.0 113.855 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 76' ' ' GLY . 11.2 m -71.78 -19.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 118.868 -2.548 . . . . 0.0 114.377 -169.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -81.22 -18.46 46.02 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 124.972 1.309 . . . . 0.0 112.321 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -66.45 -38.8 88.16 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 115.65 -2.42 . . . . 0.0 111.477 163.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.94 -58.97 3.23 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.409 1.884 . . . . 0.0 107.113 -173.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.79 -36.29 64.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.714 -1.866 . . . . 0.0 115.331 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.33 -65.03 0.75 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 119.519 1.054 . . . . 0.0 111.021 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.272 6.2 ptp -47.87 -33.79 7.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -82.01 -4.41 56.68 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.486 -1.384 . . . . 0.0 111.325 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.294 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 CA-C-O 123.452 1.596 . . . . 0.0 107.853 171.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 8' ' ' VAL . 74.0 m-80 . . . . . 0 N--CA 1.429 -1.481 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.88 -49.21 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 126.908 2.083 . . . . 0.0 114.672 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.04 -37.24 14.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.712 2.405 . . . . 0.0 114.161 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.402 ' OG1' ' CE1' ' B' ' 44' ' ' HIS . 0.2 OUTLIER -73.2 -54.66 7.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.91 1.284 . . . . 0.0 109.005 -176.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 4' ' ' ASN . 1.4 t -57.54 -33.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.594 1.558 . . . . 0.0 112.174 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -55.85 -66.85 0.35 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.989 2.916 . . . . 0.0 112.084 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 10' ' ' GLU . 8.4 pt-20 -66.95 -25.14 66.19 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 mt -72.07 -36.57 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 120.639 -1.288 . . . . 0.0 112.904 174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.6 mt -48.09 -53.69 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 128.112 2.565 . . . . 0.0 114.387 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 42' ' ' VAL . 7.3 p -67.53 -48.45 66.98 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.672 1.124 . . . . 0.0 111.521 -173.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 17' ' ' ILE . 51.8 t -47.29 -33.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.525 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.68 -11.7 47.58 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 117.842 -3.036 . . . . 0.0 111.979 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 94.3 p -84.08 -26.86 28.67 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.118 -0.989 . . . . 0.0 109.794 172.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' A' ' 17' ' ' ILE . 6.8 mm -51.67 -48.7 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-N 120.457 1.481 . . . . 0.0 113.461 159.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.29 -41.14 98.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.5 mt -78.78 -20.42 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.483 -2.636 . . . . 0.0 116.044 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.94 80.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.156 -2.215 . . . . 0.0 111.649 166.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -84.14 3.24 35.84 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 61.82 39.66 13.64 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.665 1.986 . . . . 0.0 115.051 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -111.84 52.84 0.74 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.927 1.346 . . . . 0.0 111.688 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.333 0.0 OUTLIER -67.18 -6.8 19.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.111 2.634 . . . . 0.0 118.111 176.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -57.88 -35.61 71.23 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.603 1.961 . . . . 0.0 114.0 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.4 -38.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 125.841 1.657 . . . . 0.0 110.764 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.47 -34.8 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 111.461 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -56.65 -12.83 2.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 130.13 3.372 . . . . 0.0 117.864 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -141.3 139.22 33.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.015 -2.303 . . . . 0.0 108.478 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -55.55 -40.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.82 1.648 . . . . 0.0 114.147 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.08 -56.43 11.57 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.955 -2.341 . . . . 0.0 115.104 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -45.92 -35.42 4.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -72.44 -45.63 58.71 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 126.067 1.747 . . . . 0.0 111.987 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.88 -40.04 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 128.954 2.902 . . . . 0.0 113.829 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -53.11 61.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.724 -1.235 . . . . 0.0 111.332 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -54.79 -33.78 61.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 168.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.973 -2.33 . . . . 0.0 112.331 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.29 -31.17 71.3 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.117 -1.614 . . . . 0.0 113.789 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.37 -67.58 0.31 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.507 -1.371 . . . . 0.0 113.603 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.452 HG21 HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -80.37 -12.48 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 121.639 0.733 . . . . 0.0 112.543 -167.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.98 40.52 6.17 Favored Glycine 0 N--CA 1.43 -1.725 0 CA-C-O 117.982 -1.455 . . . . 0.0 115.592 169.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.26 109.98 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 121.831 2.815 . . . . 0.0 109.218 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.26 127.78 53.49 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.402 ' CE1' ' OG1' ' B' ' 7' ' ' THR . 4.6 t60 -74.24 -92.57 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -92.81 51.97 1.78 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 118.751 -2.468 . . . . 0.0 108.161 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.71 15.33 68.67 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 125.053 1.311 . . . . 0.0 114.378 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -127.97 161.34 29.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.67 1.188 . . . . 0.0 109.231 -172.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.72 140.97 58.93 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.534 1.159 . . . . 0.0 112.539 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 124.69 35.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-O 122.484 1.135 . . . . 0.0 111.147 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -101.45 170.57 8.12 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 125.655 1.582 . . . . 0.0 110.852 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -42.9 75.85 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.558 -1.339 . . . . 0.0 114.179 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -72.46 -39.0 68.1 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.25 -1.531 . . . . 0.0 114.107 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.6 m -70.55 -23.56 62.64 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.027 1.331 . . . . 0.0 113.137 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -65.35 -45.4 84.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.562 1.649 . . . . 0.0 111.967 168.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -70.27 -33.16 71.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.692 -1.88 . . . . 0.0 112.918 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.264 2.4 ptmm? -56.27 -47.8 77.87 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 165.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.277 26.5 pt -58.45 -44.38 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 124.677 1.191 . . . . 0.0 112.678 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -76.46 -44.13 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -74.26 -54.37 7.85 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -78.55 -0.23 28.83 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -162.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.6 mt -41.01 142.22 0.52 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.898 2.079 . . . . 0.0 114.717 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -86.02 171.72 11.19 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.026 -1.671 . . . . 0.0 108.129 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -67.85 -37.93 82.5 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.697 -1.877 . . . . 0.0 111.848 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -58.5 -40.93 84.16 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.625 2.37 . . . . 0.0 115.428 168.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -65.32 -36.54 84.36 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.564 -1.96 . . . . 0.0 112.762 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -75.3 -46.14 35.29 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.777 1.231 . . . . 0.0 110.224 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -52.58 -37.88 58.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 126.598 1.959 . . . . 0.0 113.988 166.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -58.26 -44.84 88.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.751 -1.218 . . . . 0.0 113.174 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.8 75.98 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.835 -1.79 . . . . 0.0 112.457 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.18 -46.98 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.394 1.478 . . . . 0.0 114.017 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -70.84 -37.22 73.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.57 -35.69 15.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.221 -1.549 . . . . 0.0 112.945 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.55 68.14 0.73 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.66 -1.9 . . . . 0.0 107.193 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -57.89 -71.56 0.1 Allowed 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.02 1.328 . . . . 0.0 114.504 -170.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -58.69 -51.15 71.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.22 -52.51 43.51 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 124.339 0.971 . . . . 0.0 115.43 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' B' ' 81' ' ' TYR . 4.2 t80 -72.7 -20.87 61.15 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 119.653 1.726 . . . . 0.0 110.522 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -56.08 -60.31 3.66 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.399 -2.063 . . . . 0.0 112.223 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.57 1.0 Allowed Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -32.16 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.686 -2.067 . . . . 0.0 114.567 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' B' ' 77' ' ' PHE . 59.4 t80 -77.7 -13.09 60.0 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.024 1.738 . . . . 0.0 114.385 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -62.77 -47.74 82.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.589 -2.569 . . . . 0.0 112.534 159.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -64.79 -60.52 2.99 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.037 1.735 . . . . 0.0 109.248 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.0 mt -49.08 -37.32 20.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.801 2.44 . . . . 0.0 115.484 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.33 -37.03 38.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 121.91 -0.494 . . . . 0.0 111.393 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.6 ptp -76.42 -29.75 57.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.244 -1.535 . . . . 0.0 112.402 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.45 -5.63 58.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.929 -1.107 . . . . 0.0 112.031 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.341 1.7 t . . . . . 0 N--CA 1.431 -1.419 0 CA-C-O 123.596 1.665 . . . . 0.0 108.778 172.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.51 -27.16 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 128.183 2.593 . . . . 0.0 115.335 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.37 -40.34 96.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 124.111 1.91 . . . . 0.0 109.397 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 m -77.48 -42.23 36.53 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.285 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.78 -42.85 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 O-C-N 119.366 -2.084 . . . . 0.0 113.595 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.74 -51.84 67.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 129.147 2.979 . . . . 0.0 112.118 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 120.074 -1.641 . . . . 0.0 112.574 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mt -69.55 -35.44 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.111 -2.243 . . . . 0.0 112.205 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG23 HG21 ' A' ' 80' ' ' VAL . 26.8 mt -50.7 -44.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.202 2.601 . . . . 0.0 115.906 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.47 HG21 HG22 ' B' ' 42' ' ' VAL . 5.0 p -66.32 -47.24 74.18 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.605 -1.31 . . . . 0.0 110.633 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -52.37 -49.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.195 2.998 . . . . 0.0 114.2 171.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -30.61 69.59 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.287 -2.133 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -76.88 -11.55 59.84 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.121 -2.862 . . . . 0.0 115.001 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 HG21 ' B' ' 17' ' ' ILE . 10.2 mm -65.71 -49.11 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 124.923 1.289 . . . . 0.0 107.887 166.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 4.8 mt -61.01 -33.64 73.58 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.717 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.7 mt -80.75 -25.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 111.92 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -60.5 -43.78 96.67 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.711 -1.868 . . . . 0.0 112.169 169.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -89.21 -5.92 57.29 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.855 1.662 . . . . 0.0 112.124 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t 59.33 49.49 8.84 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 117.63 2.455 . . . . 0.0 117.63 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -108.4 46.48 0.96 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 128.804 2.842 . . . . 0.0 112.069 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.339 0.0 OUTLIER -64.56 -17.05 63.59 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 -176.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.82 -39.02 11.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 164.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.13 -42.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.931 -1.731 . . . . 0.0 112.798 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -67.55 -33.97 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.401 1.88 . . . . 0.0 113.808 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.272 6.6 pt-20 -59.36 -20.62 56.2 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -168.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -133.42 140.35 47.27 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.337 -2.102 . . . . 0.0 114.124 167.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.253 0.7 OUTLIER -38.26 -52.9 1.49 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 128.628 2.771 . . . . 0.0 114.597 175.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 -22.58 45.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.777 -2.452 . . . . 0.0 115.787 -171.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -73.87 -38.56 64.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.24 -1.537 . . . . 0.0 107.814 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.17 -62.74 1.55 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.814 2.446 . . . . 0.0 115.397 168.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.286 7.6 mt -40.72 -44.64 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 166.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.12 91.13 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 117.959 -2.963 . . . . 0.0 113.078 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.0 t80 -55.4 -47.22 76.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.994 2.917 . . . . 0.0 111.835 167.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.54 -44.71 62.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.913 1.688 . . . . 0.0 114.803 173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -66.96 -28.65 68.45 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.719 -1.238 . . . . 0.0 113.536 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -72.61 -54.75 8.25 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.487 -1.383 . . . . 0.0 112.304 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.78 -21.07 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.06 45.9 3.22 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 124.501 1.048 . . . . 0.0 115.197 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.67 118.42 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 120.353 -1.675 . . . . 0.0 109.795 170.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -112.51 149.71 32.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.572 1.149 . . . . 0.0 108.218 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -76.91 -95.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.947 -1.096 . . . . 0.0 111.625 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.38 14.87 1.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.785 -1.822 . . . . 0.0 114.892 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.42 4.23 62.58 Favored Glycine 0 N--CA 1.429 -1.772 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -164.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -96.43 138.74 33.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 100.222 -3.992 . . . . 0.0 100.222 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.36 143.56 36.76 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 128.44 36.32 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.881 1.324 . . . . 0.0 111.986 -151.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -98.66 154.57 17.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.733 1.213 . . . . 0.0 109.754 -172.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.94 -33.71 76.45 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.118 -1.614 . . . . 0.0 114.554 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -70.11 -57.15 5.28 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.12 1.368 . . . . 0.0 113.017 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.1 m -70.4 -10.62 59.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 118.784 -2.447 . . . . 0.0 116.558 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.3 -57.68 10.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.012 1.325 . . . . 0.0 111.561 161.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -65.76 -25.42 67.27 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 121.061 -1.024 . . . . 0.0 112.675 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.306 35.7 pttt -63.46 -48.69 76.65 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 164.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.28 26.3 pt -59.66 -44.34 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 119.609 -1.932 . . . . 0.0 114.009 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.9 -38.83 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -92.05 -26.68 18.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 118.07 2.618 . . . . 0.0 118.07 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -83.04 1.05 42.02 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 124.922 3.51 . . . . 0.0 114.88 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -48.51 141.46 6.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.729 1.612 . . . . 0.0 114.86 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.3 p -81.28 169.08 17.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.315 -0.866 . . . . 0.0 109.187 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.28 -33.94 73.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.182 -2.199 . . . . 0.0 110.647 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -34.86 76.61 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 125.337 1.455 . . . . 0.0 114.674 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -65.14 -39.33 92.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.367 1.556 . . . . 0.0 113.198 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -74.02 -46.55 42.77 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.858 1.263 . . . . 0.0 110.867 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -39.01 65.16 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.864 1.666 . . . . 0.0 113.618 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 m -62.09 -39.86 93.89 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.581 -1.949 . . . . 0.0 114.281 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.5 -40.26 89.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.18 -37.41 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.867 1.267 . . . . 0.0 112.379 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.18 -38.19 72.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -82.77 -40.37 20.57 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 120.182 1.355 . . . . 0.0 113.202 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.267 52.8 m-85 -125.42 66.77 1.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.93 2.492 . . . . 0.0 111.345 -167.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.92 -63.82 1.17 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.429 1.492 . . . . 0.0 114.578 -163.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -71.87 -38.86 69.96 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.848 1.659 . . . . 0.0 111.696 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.01 9.06 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 126.661 2.077 . . . . 0.0 113.459 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.312 1.1 t80 -72.76 -32.67 65.81 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.563 -0.963 . . . . 0.0 111.263 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -48.25 -57.34 6.09 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.697 -2.502 . . . . 0.0 114.602 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.03 -64.42 3.53 Favored Glycine 0 N--CA 1.43 -1.702 0 O-C-N 120.554 -1.341 . . . . 0.0 113.746 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG21 HG23 ' A' ' 12' ' ' ILE . 9.8 m -70.71 -20.13 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.562 -2.728 . . . . 0.0 113.92 -166.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -87.28 -11.05 50.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.331 -1.481 . . . . 0.0 112.469 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.45 -40.06 95.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.662 -2.524 . . . . 0.0 111.164 159.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -69.29 -53.38 20.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.046 2.138 . . . . 0.0 108.138 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.65 -51.92 67.89 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.43 -1.419 . . . . 0.0 111.827 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -56.01 -36.59 68.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.0 ptp -82.67 -21.98 34.76 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 121.169 -0.957 . . . . 0.0 112.529 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-30 -90.58 4.78 50.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.505 -1.372 . . . . 0.0 111.661 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 122.975 1.369 . . . . 0.0 108.77 171.393 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 CA--C 1.489 -1.396 0 CA-C-O 124.107 1.908 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.407 HD13 HG21 ' B' ' 5' ' ' ILE . 8.4 tt -62.55 -38.49 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 113.034 -1.893 . . . . 0.0 114.491 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.84 -47.21 77.67 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 128.183 2.593 . . . . 0.0 113.776 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.43 HG22 HD11 ' B' ' 11' ' ' ILE . 10.0 m -75.14 -41.83 57.45 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.614 1.166 . . . . 0.0 109.959 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 36.9 t -53.38 -40.06 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 119.934 -1.729 . . . . 0.0 114.083 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -54.81 -56.87 14.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 128.851 2.86 . . . . 0.0 113.229 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -50.06 -47.68 53.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.285 1.834 . . . . 0.0 115.177 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.43 HD11 HG22 ' B' ' 7' ' ' THR . 4.8 mt -79.86 -27.85 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 120.017 -1.677 . . . . 0.0 113.678 -173.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -48.19 -56.93 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 127.112 2.165 . . . . 0.0 113.171 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -69.9 -38.39 76.3 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.669 -1.269 . . . . 0.0 113.178 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 17' ' ' ILE . 6.9 t -51.36 -46.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 165.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.23 63.33 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 117.519 -3.238 . . . . 0.0 113.788 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 p -72.03 -18.75 61.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.159 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.649 HD11 HG13 ' A' ' 14' ' ' VAL . 9.7 mm -58.73 -55.22 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 124.827 1.251 . . . . 0.0 111.201 162.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 2.7 mp -61.15 -39.29 89.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.871 -1.143 . . . . 0.0 111.053 -175.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.54 -33.67 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.023 1.729 . . . . 0.0 110.961 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.15 79.72 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 120.687 1.585 . . . . 0.0 112.284 168.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -86.67 10.19 16.43 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.38 28.66 16.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.65 49.18 1.11 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.031 2.132 . . . . 0.0 110.608 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.318 0.0 OUTLIER -61.41 -16.72 49.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 168.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -51.17 -31.44 20.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.24 -47.69 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.694 1.198 . . . . 0.0 111.224 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.72 -39.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.431 2.692 . . . . 0.0 112.032 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 28.1 tt0 -50.42 -14.14 0.16 Allowed 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 130.419 3.487 . . . . 0.0 119.83 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -144.22 131.28 20.52 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.818 -2.426 . . . . 0.0 110.57 167.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -31.04 -49.57 0.13 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.882 2.873 . . . . 0.0 114.939 164.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.73 42.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.252 -2.155 . . . . 0.0 111.739 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -66.17 -41.67 90.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.155 -2.216 . . . . 0.0 111.959 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.69 -50.5 72.97 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.057 1.743 . . . . 0.0 113.761 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -51.95 -48.39 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.29 2.236 . . . . 0.0 113.345 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.31 95.53 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 114.157 -3.017 . . . . 0.0 115.635 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.467 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 16.6 t80 -56.61 -38.96 72.77 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.075 1.75 . . . . 0.0 113.06 169.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.9 -41.83 75.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.597 -2.564 . . . . 0.0 113.055 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -72.15 -20.32 61.63 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.853 1.261 . . . . 0.0 111.095 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.353 18.0 mt-10 -71.6 -54.91 8.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 119.192 -1.003 . . . . 0.0 113.053 171.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.98 -17.03 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.024 -1.673 . . . . 0.0 110.306 -166.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 36.82 12.61 Favored Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 115.816 1.087 . . . . 0.0 115.816 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.47 HG22 HG21 ' A' ' 13' ' ' THR . 64.0 t -79.23 118.1 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 CA-C-N 118.773 1.287 . . . . 0.0 110.413 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -116.87 147.22 42.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.102 0.961 . . . . 0.0 109.2 -174.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.261 47.0 t60 -75.63 -90.05 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -93.94 50.89 1.46 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.264 -2.148 . . . . 0.0 111.765 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.7 1.15 44.56 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 125.363 1.459 . . . . 0.0 115.42 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -93.91 138.87 31.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.771 1.628 . . . . 0.0 110.404 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -62.21 121.1 12.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.494 1.118 . . . . 0.0 108.204 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.33 130.74 36.54 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 122.632 1.206 . . . . 0.0 110.602 -146.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -94.79 154.97 17.02 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.364 -0.835 . . . . 0.0 111.486 -170.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.22 -39.84 74.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -74.15 -37.98 63.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.118 -1.614 . . . . 0.0 113.774 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.5 m -81.34 -15.14 56.24 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.048 -1.657 . . . . 0.0 113.124 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.15 -50.65 67.34 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.677 1.591 . . . . 0.0 111.406 162.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -69.38 -23.34 63.72 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.961 -1.712 . . . . 0.0 112.322 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.257 8.8 ptmt -61.48 -55.6 29.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 161.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 26.5 pt -54.85 -41.95 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.88 -41.13 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 N-CA-C 114.428 1.269 . . . . 0.0 114.428 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -85.3 -47.92 9.57 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.401 4.7 pt-20 -78.2 15.49 0.93 Allowed 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 120.905 1.684 . . . . 0.0 114.989 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.67 133.34 56.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.077 0.941 . . . . 0.0 111.375 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -75.29 170.05 16.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.552 -1.343 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -69.35 -37.32 77.59 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 120.265 -1.522 . . . . 0.0 112.131 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.38 -28.51 67.99 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 170.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -65.0 -39.02 92.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.673 -1.892 . . . . 0.0 111.811 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -77.75 -41.03 39.0 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.664 -1.897 . . . . 0.0 110.042 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.68 63.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.504 1.522 . . . . 0.0 112.826 166.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -59.54 -42.51 92.5 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.233 -0.917 . . . . 0.0 113.439 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.04 -37.22 78.48 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.255 -1.528 . . . . 0.0 112.36 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.4 -41.41 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.295 -1.503 . . . . 0.0 112.593 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -68.03 -37.43 81.35 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.337 -1.477 . . . . 0.0 114.428 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -87.1 -28.06 22.75 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.732 -1.855 . . . . 0.0 115.129 -175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -136.7 66.19 1.49 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 120.354 -1.466 . . . . 0.0 110.776 -169.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -51.04 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.88 -30.88 58.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.702 -1.874 . . . . 0.0 111.382 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.12 -56.37 8.04 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 125.135 1.35 . . . . 0.0 112.227 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.375 0.2 OUTLIER -70.94 -37.27 72.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 117.77 -1.109 . . . . 0.0 109.477 -176.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -46.73 -57.33 4.96 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.54 -53.78 33.21 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 119.89 -1.756 . . . . 0.0 114.681 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.74 -19.86 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.056 -3.026 . . . . 0.0 111.693 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -75.05 -23.13 58.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.354 -1.466 . . . . 0.0 112.972 172.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -64.3 -38.21 90.23 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 125.246 2.451 . . . . 0.0 112.192 169.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.12 -53.4 25.6 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 111.639 -2.528 . . . . 0.0 108.936 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.67 -20.73 63.76 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.854 -2.404 . . . . 0.0 116.882 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.15 -44.95 18.99 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.126 -2.234 . . . . 0.0 110.327 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.48 -26.07 57.89 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.062 -2.274 . . . . 0.0 112.984 -164.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 24.0 m-85 -91.8 4.92 51.73 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.564 -174.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.385 15.4 t . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 124.437 2.065 . . . . 0.0 111.189 173.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 tt -42.82 -57.96 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 127.709 2.404 . . . . 0.0 117.09 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -50.52 -40.78 52.49 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.001 1.72 . . . . 0.0 114.384 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -55.64 -48.96 74.11 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.473 1.509 . . . . 0.0 109.621 172.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.03 -63.24 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 125.491 1.517 . . . . 0.0 110.307 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -32.59 -58.9 0.33 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.862 3.665 . . . . 0.0 120.594 164.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.56 -29.37 65.8 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 113.576 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.403 ' CG1' HG11 ' A' ' 42' ' ' VAL . 87.1 mt -75.56 -34.64 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 120.578 -1.326 . . . . 0.0 111.266 173.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.32 -53.85 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.005 2.122 . . . . 0.0 112.976 168.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -53.96 -46.88 71.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 120.849 1.659 . . . . 0.0 115.405 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.04 -45.23 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 119.958 -1.714 . . . . 0.0 113.318 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.66 87.05 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.667 -1.27 . . . . 0.0 113.254 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -73.06 -13.82 61.28 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -72.18 -40.43 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.982 2.113 . . . . 0.0 110.339 167.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.16 -27.14 68.51 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.229 -2.794 . . . . 0.0 112.514 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.347 48.9 mt -79.56 -45.56 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.492 -1.38 . . . . 0.0 111.452 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -36.22 -52.82 0.81 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 161.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.4 -18.21 57.48 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.319 0.9 OUTLIER 72.97 49.07 0.16 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.484 2.313 . . . . 0.0 115.385 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.63 42.99 3.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.906 3.282 . . . . 0.0 113.039 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -60.25 -16.3 32.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -179.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -28.4 -49.19 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.537 2.735 . . . . 0.0 117.816 164.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.53 -43.52 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.709 1.604 . . . . 0.0 112.253 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.48 -35.27 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.777 1.631 . . . . 0.0 113.849 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 15.0 tt0 -61.9 -29.74 70.41 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -175.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -110.35 119.21 38.5 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.221 -1.549 . . . . 0.0 108.698 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -42.93 -54.63 4.12 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.971 2.508 . . . . 0.0 113.24 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.13 56.11 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -86.03 -31.55 21.93 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.523 1.154 . . . . 0.0 108.724 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.83 -55.39 35.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.342 1.457 . . . . 0.0 111.629 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 54' ' ' PHE . 63.5 mt -57.67 -40.11 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.018 2.527 . . . . 0.0 114.075 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.1 72.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.512 -1.368 . . . . 0.0 113.521 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -80.58 -33.36 36.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.392 -1.443 . . . . 0.0 109.578 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 14.2 mt -56.72 -49.33 75.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.578 -1.951 . . . . 0.0 112.851 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.06 -22.25 66.72 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.82 -47.44 12.83 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.059 1.3 . . . . 0.0 113.042 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 42' ' ' VAL 0.252 0.2 OUTLIER -83.59 -5.92 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.116 -1.615 . . . . 0.0 113.32 179.88 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 51.08 17.09 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.648 -1.282 . . . . 0.0 115.016 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 HD11 ' A' ' 40' ' ' ILE . 38.3 t -80.44 110.01 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -112.38 123.65 50.76 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.468 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.266 9.9 t60 -64.74 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 31.2 mt-10 -101.75 57.0 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.561 -1.962 . . . . 0.0 107.594 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.66 9.93 59.81 Favored Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 116.373 1.309 . . . . 0.0 116.373 -167.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -126.77 163.54 23.33 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.751 2.776 . . . . 0.0 107.597 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -82.39 175.59 10.12 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.796 0.839 . . . . 0.0 112.606 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.21 127.56 55.02 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 123.343 1.544 . . . . 0.0 113.839 -161.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -93.09 159.66 15.2 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 111.164 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -66.72 -32.63 74.05 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.0 -1.687 . . . . 0.0 114.863 173.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -72.22 -48.54 42.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 111.984 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 -36.19 80.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.2 t80 -49.43 -60.7 2.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.293 1.044 . . . . 0.0 112.46 170.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -61.85 -22.45 65.53 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.363 23.9 pttt -59.14 -52.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.953 1.252 . . . . 0.0 114.176 164.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.285 0.0 OUTLIER -61.57 -50.59 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 118.995 -2.315 . . . . 0.0 112.856 -174.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.25 -32.48 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -92.45 -39.11 11.6 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.9 9.49 14.23 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.288 -2.133 . . . . 0.0 114.578 -167.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.11 150.92 5.34 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.653 1.581 . . . . 0.0 113.803 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -88.25 169.43 11.87 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 171.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -67.11 -28.19 67.95 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.764 -2.46 . . . . 0.0 112.08 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.2 -38.68 90.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.304 1.442 . . . . 0.0 113.297 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.15 -36.9 83.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 120.576 -1.327 . . . . 0.0 113.583 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -82.34 -31.06 30.05 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.626 -1.296 . . . . 0.0 111.523 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -37.54 87.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.006 0.923 . . . . 0.0 111.377 166.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -59.71 -43.19 94.25 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 121.213 -0.929 . . . . 0.0 112.276 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.48 -50.9 56.91 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.373 1.069 . . . . 0.0 111.568 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -50.96 -40.95 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 126.211 1.804 . . . . 0.0 113.831 172.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -59.13 -41.79 89.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 126.229 1.812 . . . . 0.0 114.183 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -93.75 -32.44 14.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.784 -1.823 . . . . 0.0 114.755 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -124.56 69.26 1.09 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -168.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -57.39 -70.96 0.11 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.108 1.363 . . . . 0.0 112.373 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.08 -42.14 97.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.663 1.585 . . . . 0.0 112.76 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -60.25 8.34 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 125.885 1.707 . . . . 0.0 114.374 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.274 0.2 OUTLIER -71.32 -44.19 65.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 116.764 -1.589 . . . . 0.0 109.636 -174.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -43.61 -54.42 4.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 121.017 1.735 . . . . 0.0 114.798 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.23 -62.76 5.53 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 116.197 1.239 . . . . 0.0 116.197 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.46 -23.71 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 118.927 -2.513 . . . . 0.0 115.468 -172.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -78.3 -17.34 56.74 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.102 1.361 . . . . 0.0 112.734 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -66.11 -43.35 87.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.052 -1.655 . . . . 0.0 111.983 160.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.33 -54.64 25.94 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.588 1.555 . . . . 0.0 108.364 -171.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -49.54 -59.29 3.89 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.235 -1.54 . . . . 0.0 112.097 174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -42.53 50.21 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -174.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.0 ptp -78.95 -26.29 43.58 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 19.2 m-30 -85.58 -6.93 59.11 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 118.779 -2.45 . . . . 0.0 111.604 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.584 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.428 0 C-N-CA 126.594 1.958 . . . . 0.0 112.314 169.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 122.825 1.297 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 tt -61.22 -47.08 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 C-N-CA 126.229 1.812 . . . . 0.0 112.837 -168.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -63.19 -33.73 76.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.3 m -70.28 -48.88 54.74 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.026 -1.046 . . . . 0.0 111.078 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.95 -41.59 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 172.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -64.14 -58.44 6.61 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 130.324 3.449 . . . . 0.0 112.053 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.64 -28.69 70.09 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.84 -28.83 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.167 -2.833 . . . . 0.0 113.366 170.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -57.12 -55.75 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 118.725 -2.485 . . . . 0.0 113.317 173.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.1 p -60.84 -36.3 78.78 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.224 1.81 . . . . 0.0 113.4 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.19 -44.98 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.194 1.798 . . . . 0.0 113.04 172.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.83 65.09 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.953 -2.342 . . . . 0.0 111.903 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p -54.82 -40.56 69.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -49.88 -45.0 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 125.262 1.425 . . . . 0.0 113.244 167.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.78 -42.55 93.58 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.088 -1.633 . . . . 0.0 114.33 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.31 -38.49 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-O 117.305 -1.331 . . . . 0.0 113.034 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -46.35 -57.12 4.91 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 121.842 2.11 . . . . 0.0 113.278 166.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . 0.623 ' CE2' HG23 ' B' ' 17' ' ' ILE . 19.8 m-85 -74.0 -26.51 60.49 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.292 15.5 t 95.79 47.44 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.686 2.794 . . . . 0.0 111.064 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -123.92 51.79 1.51 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 128.637 2.775 . . . . 0.0 106.819 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -15.42 57.76 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.178 -1.576 . . . . 0.0 112.78 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -58.46 -24.44 60.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.198 1.799 . . . . 0.0 115.657 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.12 -48.93 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.128 -1.607 . . . . 0.0 109.507 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 -38.36 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.491 2.316 . . . . 0.0 112.394 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.1 tm-20 -54.84 -18.54 4.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.245 3.018 . . . . 0.0 117.627 177.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.18 137.11 54.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.75 -1.218 . . . . 0.0 109.716 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -57.57 -56.47 21.43 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.883 -1.761 . . . . 0.0 112.084 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.4 97.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -168.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -73.23 -26.18 61.02 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.707 -1.871 . . . . 0.0 113.202 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -69.05 -48.04 63.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.857 1.663 . . . . 0.0 110.723 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.93 -36.34 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 C-N-CA 128.802 2.841 . . . . 0.0 112.969 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.32 76.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 125.101 1.361 . . . . 0.0 107.731 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -58.67 -36.28 73.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 166.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.32 -41.84 90.01 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.604 -1.935 . . . . 0.0 113.035 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.18 -25.52 64.38 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.952 -1.718 . . . . 0.0 114.582 169.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.99 -60.59 2.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.83 1.252 . . . . 0.0 112.536 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.93 -14.26 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.613 1.197 . . . . 0.0 111.485 -170.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.67 47.92 5.18 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 117.864 -1.52 . . . . 0.0 115.28 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.51 117.65 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-N 122.421 3.111 . . . . 0.0 104.804 160.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -125.26 132.97 52.85 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.203 1.001 . . . . 0.0 109.48 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -71.41 -84.02 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -170.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -90.13 38.23 0.92 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.286 -2.759 . . . . 0.0 109.947 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.73 2.82 71.27 Favored Glycine 0 N--CA 1.43 -1.739 0 O-C-N 119.615 -1.928 . . . . 0.0 114.818 -166.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -102.97 147.67 26.64 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.053 1.341 . . . . 0.0 111.006 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -77.61 143.2 38.44 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.982 -1.074 . . . . 0.0 113.793 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -85.69 124.82 32.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.723 -1.236 . . . . 0.0 113.897 -156.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -84.16 164.69 19.0 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.485 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.13 -2.232 . . . . 0.0 112.861 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.25 -38.14 60.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.788 -1.195 . . . . 0.0 112.622 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.1 m -75.97 -30.61 58.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.809 -1.182 . . . . 0.0 112.551 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -66.06 -45.58 80.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.83 0.824 . . . . 0.0 108.979 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -65.14 -36.32 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.699 -1.876 . . . . 0.0 115.767 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -63.49 -25.26 68.18 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.454 0.1 OUTLIER -68.31 -51.72 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 162.272 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -80.29 -37.75 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -66.37 -60.75 2.47 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.353 -2.092 . . . . 0.0 115.785 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.94 10.81 20.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.682 -1.886 . . . . 0.0 115.835 -159.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.1 mt -51.49 134.14 29.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.061 2.144 . . . . 0.0 115.824 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.5 p -61.78 150.06 38.15 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -56.27 -45.08 80.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 112.786 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -54.33 -43.86 71.59 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.94 -27.85 65.09 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.039 -1.663 . . . . 0.0 113.609 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -76.83 -44.55 31.99 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.65 -1.906 . . . . 0.0 110.239 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -60.4 -30.66 69.74 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.746 1.218 . . . . 0.0 113.179 169.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.1 m -59.56 -45.53 91.57 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.271 1.829 . . . . 0.0 110.998 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.75 -36.9 62.61 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.549 -1.97 . . . . 0.0 112.382 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.22 -43.06 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.26 -1.525 . . . . 0.0 113.556 167.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -63.38 -49.57 73.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -93.62 -25.46 17.51 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -166.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -121.28 67.25 0.88 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.863 2.065 . . . . 0.0 109.907 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -57.63 -71.75 0.1 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.234 -1.541 . . . . 0.0 115.132 -166.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.22 -43.34 82.29 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.05 -44.77 65.34 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.695 -1.253 . . . . 0.0 115.106 -172.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.351 0.2 OUTLIER -74.75 -36.22 62.62 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 118.675 1.238 . . . . 0.0 109.843 -176.232 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -44.83 -59.29 2.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.331 1.878 . . . . 0.0 114.367 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.58 -65.57 3.17 Favored Glycine 0 N--CA 1.429 -1.788 0 N-CA-C 115.768 1.067 . . . . 0.0 115.768 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -68.02 -20.47 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.134 -2.392 . . . . 0.0 114.657 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -80.63 -20.93 42.06 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.845 -1.784 . . . . 0.0 113.706 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -61.63 -41.88 98.12 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.594 -1.642 . . . . 0.0 112.941 163.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.19 -54.12 20.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 128.269 2.628 . . . . 0.0 107.954 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.0 -48.85 78.78 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -57.1 -43.08 81.88 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.8 ptp -75.82 -24.26 55.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.429 1.109 . . . . 0.0 112.95 -173.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-30 -89.16 -3.75 58.5 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.912 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.52 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.482 0 CA-C-O 123.456 1.598 . . . . 0.0 110.55 169.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 N--CA 1.43 -1.471 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -62.43 -43.24 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 127.739 2.415 . . . . 0.0 112.147 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.22 -39.64 71.59 Favored 'General case' 0 CA--C 1.488 -1.407 0 C-N-CA 124.68 1.192 . . . . 0.0 113.02 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -70.91 -39.53 72.68 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.7 -1.25 . . . . 0.0 111.164 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.69 -37.26 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.104 -2.248 . . . . 0.0 114.862 165.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -71.53 -48.79 46.52 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.131 1.772 . . . . 0.0 112.525 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.98 -30.72 71.73 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 113.252 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mt -80.36 -19.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.479 -2.013 . . . . 0.0 113.444 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.1 -53.95 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 117.815 -3.053 . . . . 0.0 110.443 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -58.73 -42.78 89.55 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.567 HG13 HD11 ' B' ' 17' ' ' ILE . 4.8 t -54.3 -45.83 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.655 1.982 . . . . 0.0 114.527 170.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.91 77.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.598 -1.939 . . . . 0.0 112.631 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.8 p -63.32 -29.09 70.46 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' B' ' 17' ' ' ILE . 19.5 mm -51.25 -54.47 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 164.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.12 -41.38 83.5 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.55 -34.25 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -50.95 -41.42 59.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.878 -2.389 . . . . 0.0 113.914 165.535 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -90.03 12.75 16.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t 50.91 38.95 21.51 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.763 2.025 . . . . 0.0 115.331 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -115.34 56.52 0.75 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.877 1.322 . . . . 0.0 110.238 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -6.12 23.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 169.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.94 -36.04 36.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.472 2.709 . . . . 0.0 114.869 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.4 mt -76.69 -43.78 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 125.413 1.485 . . . . 0.0 111.627 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.88 -44.72 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.395 1.878 . . . . 0.0 112.592 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.11 -14.02 0.98 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 130.381 3.472 . . . . 0.0 116.713 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -127.57 114.74 17.81 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.546 -1.972 . . . . 0.0 111.956 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -32.56 -64.34 0.18 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.702 3.201 . . . . 0.0 114.712 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -44.85 84.59 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.62 -36.05 73.44 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.5 t80 -64.02 -49.33 72.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.415 1.886 . . . . 0.0 112.727 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.6 -39.85 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 128.485 2.714 . . . . 0.0 113.465 169.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.16 74.68 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 123.877 0.871 . . . . 0.0 109.713 175.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -53.09 -43.35 66.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.649 1.98 . . . . 0.0 115.153 167.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' PHE . 15.8 mt -58.42 -44.08 88.94 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.433 -2.042 . . . . 0.0 113.734 175.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -72.77 -24.73 60.99 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.992 -1.692 . . . . 0.0 114.327 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.88 -46.04 59.2 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.65 1.58 . . . . 0.0 111.928 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.9 pt -89.63 -12.64 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.651 -1.281 . . . . 0.0 112.349 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.5 28.83 13.35 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.319 2.3 t -70.35 110.85 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 119.433 1.617 . . . . 0.0 108.956 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 p -102.92 142.91 33.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.87 1.268 . . . . 0.0 107.596 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -73.29 -95.09 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.515 -1.366 . . . . 0.0 112.302 168.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.82 47.44 1.1 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.12 -2.237 . . . . 0.0 110.193 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.56 -9.09 75.0 Favored Glycine 0 N--CA 1.43 -1.74 0 O-C-N 121.432 -0.792 . . . . 0.0 113.534 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -95.93 138.35 33.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.587 1.555 . . . . 0.0 109.544 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -63.46 147.19 51.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.145 -0.972 . . . . 0.0 111.043 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.88 123.34 31.9 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.492 -1.38 . . . . 0.0 114.409 -162.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -93.32 161.0 14.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.6 1.16 . . . . 0.0 110.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -73.33 -31.68 64.13 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.845 -1.785 . . . . 0.0 115.007 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -77.16 -40.39 45.64 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.567 -1.333 . . . . 0.0 113.427 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.1 m -74.21 -23.36 59.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.474 -1.391 . . . . 0.0 113.962 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -58.72 -53.28 60.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.007 1.323 . . . . 0.0 109.999 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -29.72 70.42 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.773 -1.205 . . . . 0.0 113.617 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 31.5 pttt -66.46 -42.89 86.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.958 1.708 . . . . 0.0 115.152 169.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 57' ' ' ILE 0.346 44.4 pt -56.53 -48.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 113.097 175.353 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -78.44 -41.7 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -80.93 -55.4 4.82 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.367 6.6 pt-20 -82.93 21.37 1.05 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -166.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.35 151.95 12.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.542 1.537 . . . . 0.0 112.855 165.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 p -78.91 170.0 17.35 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.419 -2.051 . . . . 0.0 111.739 173.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -60.33 -40.89 92.25 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.198 -1.564 . . . . 0.0 112.875 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.3 -31.92 70.71 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 124.864 1.266 . . . . 0.0 114.335 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.07 -41.01 97.71 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.108 1.432 . . . . 0.0 111.243 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -72.67 -46.46 53.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.74 1.616 . . . . 0.0 110.204 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -35.43 65.17 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.4 m -62.99 -39.72 95.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.112 -0.993 . . . . 0.0 112.772 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.15 -45.42 66.82 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.09 0.956 . . . . 0.0 112.004 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -49.17 -47.92 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.84 1.656 . . . . 0.0 113.604 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -66.48 -31.9 72.93 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -93.69 -37.08 12.01 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -114.37 65.54 0.67 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.386 1.475 . . . . 0.0 108.041 -170.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -59.76 -69.18 0.22 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -166.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.05 -32.94 74.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.773 -1.829 . . . . 0.0 114.341 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 -59.43 4.91 Favored Glycine 0 N--CA 1.43 -1.753 0 C-N-CA 125.045 1.307 . . . . 0.0 113.12 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.255 0.9 OUTLIER -77.06 -13.32 59.97 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.119 -1.224 . . . . 0.0 110.83 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.03 -61.46 2.62 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.15 -2.219 . . . . 0.0 110.452 165.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.72 -55.06 12.26 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 124.117 0.865 . . . . 0.0 114.859 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.39 -22.34 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 119.72 -2.047 . . . . 0.0 111.508 -167.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -76.13 -36.08 58.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.576 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.255 26.2 mmt180 -48.15 -46.73 34.81 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 120.753 1.615 . . . . 0.0 112.75 168.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.77 -53.1 59.55 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.599 1.56 . . . . 0.0 109.632 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.44 -37.72 86.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.956 -1.715 . . . . 0.0 114.883 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -70.28 -36.0 74.1 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.26 -1.525 . . . . 0.0 113.379 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.5 ptp -80.16 -26.87 39.14 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.224 -1.548 . . . . 0.0 115.088 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.87 -3.56 57.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.557 -1.339 . . . . 0.0 112.208 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.31 12.7 t . . . . . 0 N--CA 1.43 -1.453 0 O-C-N 120.644 -1.285 . . . . 0.0 113.489 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 tt -46.93 -58.3 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 C-N-CA 127.13 2.172 . . . . 0.0 115.171 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -32.12 -47.1 0.13 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.662 2.385 . . . . 0.0 116.853 172.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -51.48 65.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.646 1.578 . . . . 0.0 111.733 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.8 -39.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.769 2.028 . . . . 0.0 111.032 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -52.45 -59.11 4.82 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 129.504 3.122 . . . . 0.0 115.079 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.27 -28.21 66.1 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.131 -2.231 . . . . 0.0 114.736 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -73.09 -37.5 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.252 -2.155 . . . . 0.0 112.352 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.17 -42.32 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.126 2.57 . . . . 0.0 116.735 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -67.69 -47.83 68.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 17' ' ' ILE . 6.3 t -51.51 -42.89 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 168.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.82 81.38 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.726 -1.234 . . . . 0.0 111.237 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.487 ' HB3' HG11 ' B' ' 80' ' ' VAL . 15.5 p -62.45 -25.11 67.8 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' A' ' 17' ' ' ILE . 12.4 mm -62.06 -48.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 124.944 1.298 . . . . 0.0 111.619 172.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 3.2 mp -63.33 -37.94 89.24 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.344 -1.473 . . . . 0.0 113.041 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mt -64.76 -30.77 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 124.971 1.309 . . . . 0.0 113.06 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -32.04 72.93 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.394 1.478 . . . . 0.0 113.305 173.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -100.73 10.53 41.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.417 -1.427 . . . . 0.0 114.11 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t 74.05 20.02 2.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.749 1.62 . . . . 0.0 114.017 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -104.48 36.34 2.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.27 1.828 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.285 0.0 OUTLIER -56.8 -24.38 50.24 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.106 1.763 . . . . 0.0 115.591 169.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -38.46 -42.1 0.71 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.171 2.656 . . . . 0.0 118.171 160.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD23 ' B' ' 18' ' ' LEU . 35.2 mt -68.88 -42.58 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 O-C-N 120.428 -1.42 . . . . 0.0 111.06 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.45 -33.0 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 124.788 1.235 . . . . 0.0 112.052 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.8 tt0 -58.33 -18.77 29.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.909 2.884 . . . . 0.0 118.046 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -127.29 125.97 41.8 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.835 -1.79 . . . . 0.0 112.477 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -46.84 -60.88 2.14 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.147 2.579 . . . . 0.0 114.656 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.1 -15.64 60.06 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -79.17 -38.05 36.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.839 -1.163 . . . . 0.0 109.28 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.55 -53.07 62.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.232 1.013 . . . . 0.0 113.308 172.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 51' ' ' GLN . 29.5 mt -58.22 -37.8 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 127.017 2.127 . . . . 0.0 113.726 174.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.24 71.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 112.881 172.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -80.43 -35.55 34.91 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 176.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.78 -46.01 88.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 119.677 1.126 . . . . 0.0 112.388 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.27 -40.28 93.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -52.91 -61.81 2.06 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 119.971 1.26 . . . . 0.0 113.759 170.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.4 pt -79.94 -17.37 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -170.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.43 50.7 5.59 Favored Glycine 0 N--CA 1.43 -1.764 0 O-C-N 120.945 -1.097 . . . . 0.0 115.413 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.36 118.09 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 123.32 1.533 . . . . 0.0 107.242 159.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -101.94 158.12 16.37 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.501 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.296 7.4 t60 -79.86 -96.96 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 151.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.21 42.13 1.05 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.66 -2.525 . . . . 0.0 111.201 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.45 17.3 72.43 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 120.298 -1.501 . . . . 0.0 114.559 -162.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -114.76 158.28 22.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.728 -2.043 . . . . 0.0 107.236 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -70.54 144.9 51.16 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.818 0.818 . . . . 0.0 111.547 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.39 130.13 37.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 122.776 1.274 . . . . 0.0 110.988 -170.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.46 151.06 20.37 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.291 1.036 . . . . 0.0 109.685 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.459 ' HG2' HG21 ' B' ' 34' ' ' ILE . 65.4 mt-30 -67.96 -30.26 69.5 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.89 -50.79 26.23 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.603 -1.311 . . . . 0.0 113.318 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -68.21 -25.38 65.19 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.312 -2.118 . . . . 0.0 116.199 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.55 -54.55 21.65 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.759 -1.838 . . . . 0.0 113.547 163.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -68.11 -22.95 64.86 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.307 13.2 pttt -69.64 -48.78 58.72 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.64 -1.287 . . . . 0.0 114.297 166.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.272 30.4 pt -53.79 -49.41 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.84 2.109 . . . . 0.0 114.074 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -71.89 -35.54 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -87.8 -43.71 11.66 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.324 7.7 pt-20 -95.5 15.63 19.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.942 1.701 . . . . 0.0 115.309 -168.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -46.0 148.74 0.77 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.038 -1.664 . . . . 0.0 114.311 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 49.8 p -83.9 171.61 12.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 107.848 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.04 -36.4 69.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.756 -1.84 . . . . 0.0 110.796 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.74 -33.89 76.93 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.744 -1.848 . . . . 0.0 114.19 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.35 -34.91 76.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.123 -1.611 . . . . 0.0 114.263 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -76.14 -36.06 58.96 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.684 -1.885 . . . . 0.0 110.9 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.13 82.46 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.636 -1.29 . . . . 0.0 111.945 169.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.659 1.183 . . . . 0.0 111.797 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.25 -44.73 87.21 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.985 -1.697 . . . . 0.0 112.745 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.71 -52.06 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.596 1.558 . . . . 0.0 114.905 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -64.2 -36.01 82.68 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.998 1.319 . . . . 0.0 113.656 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.99 -16.52 24.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.587 -1.945 . . . . 0.0 114.191 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -138.29 77.1 1.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.157 -1.589 . . . . 0.0 108.269 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.37 -71.74 0.17 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.295 -2.128 . . . . 0.0 114.907 -165.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.57 -35.65 80.73 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.02 -1.05 . . . . 0.0 112.621 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . 0.459 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.15 -57.11 20.77 Favored Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 126.056 1.789 . . . . 0.0 113.313 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.435 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.263 2.2 t80 -74.88 -39.16 61.67 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.791 -1.099 . . . . 0.0 111.958 -177.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -41.16 -64.16 0.59 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.31 -54.96 26.3 Favored Glycine 0 N--CA 1.43 -1.757 0 CA-C-O 122.102 0.835 . . . . 0.0 114.152 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' B' ' 16' ' ' SER . 14.2 m -65.76 -28.76 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.945 -1.915 . . . . 0.0 114.021 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -82.99 -16.12 48.48 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.664 1.186 . . . . 0.0 112.227 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -61.38 -47.63 84.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.676 -1.89 . . . . 0.0 112.232 159.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.74 -51.46 59.08 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.892 1.277 . . . . 0.0 108.679 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.08 -31.94 71.6 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -77.34 -42.68 35.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.603 -1.31 . . . . 0.0 113.543 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 16.0 ptp -76.64 -30.78 57.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.909 -1.744 . . . . 0.0 115.165 -168.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.9 m-85 -82.11 5.61 19.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.634 -1.916 . . . . 0.0 113.618 -174.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.508 0 C-N-CA 124.92 1.288 . . . . 0.0 108.491 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 . . . . . 0 N--CA 1.429 -1.481 0 CA-C-O 120.314 0.102 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -39.62 -39.73 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 128.659 2.783 . . . . 0.0 117.161 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.433 ' HA ' HH11 ' A' ' 9' ' ' ARG . 38.9 m-20 -59.34 -50.24 74.73 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.854 2.062 . . . . 0.0 111.792 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.32 21.4 m -68.9 -30.82 69.39 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' VAL . 6.7 t -59.02 -51.31 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 118.46 -2.65 . . . . 0.0 112.215 168.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HA ' ' A' ' 6' ' ' ASP 0.371 0.1 OUTLIER -61.15 -43.52 98.75 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.694 2.398 . . . . 0.0 112.852 -173.058 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.99 -28.8 63.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.125 -2.234 . . . . 0.0 114.534 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.13 -38.21 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 118.714 -2.491 . . . . 0.0 111.405 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -46.8 -40.73 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 129.237 3.015 . . . . 0.0 115.182 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -72.73 -46.46 53.42 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.723 -0.611 . . . . 0.0 111.359 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 17' ' ' ILE . 4.1 t -52.63 -48.03 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.955 2.502 . . . . 0.0 114.778 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.26 96.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 112.755 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 p -66.21 -16.26 63.85 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 HG21 ' B' ' 17' ' ' ILE . 5.1 mm -65.7 -49.34 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 121.037 1.744 . . . . 0.0 109.705 170.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.85 -34.99 75.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.688 -1.257 . . . . 0.0 113.451 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.4 mt -80.04 -23.66 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 119.43 -2.044 . . . . 0.0 113.131 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.63 76.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.617 1.567 . . . . 0.0 109.689 169.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -100.45 3.03 42.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.531 -1.356 . . . . 0.0 114.606 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t 60.07 46.67 10.47 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -118.57 33.12 5.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.497 2.319 . . . . 0.0 111.972 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.374 0.0 OUTLIER -56.16 -16.27 4.98 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 120.468 3.507 . . . . 0.0 120.468 178.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -42.28 -39.07 1.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.12 -42.71 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 O-C-N 120.253 -1.529 . . . . 0.0 110.621 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.5 -41.75 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 126.82 2.048 . . . . 0.0 113.967 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.6 pt-20 -70.37 -17.19 63.04 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -112.56 118.75 35.97 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 109.33 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -35.34 -54.12 0.65 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.734 2.814 . . . . 0.0 115.67 169.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.29 17.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -51.16 -36.95 43.61 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.34 1.056 . . . . 0.0 113.823 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.15 -61.31 2.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.514 1.526 . . . . 0.0 115.106 165.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -50.91 -39.24 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 128.384 2.674 . . . . 0.0 115.386 174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.72 70.18 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.519 -1.988 . . . . 0.0 114.344 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -39.22 67.64 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.005 2.122 . . . . 0.0 110.021 173.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.95 -36.68 70.54 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -75.67 -28.22 58.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 118.943 -2.348 . . . . 0.0 114.81 168.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.5 -56.26 19.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 120.308 1.413 . . . . 0.0 110.889 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -79.93 -24.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.63 4.09 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.236 -1.54 . . . . 0.0 115.408 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.45 104.35 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 119.13 1.465 . . . . 0.0 108.701 164.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -93.07 130.4 38.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.799 -1.188 . . . . 0.0 109.216 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -64.82 -80.51 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.19 57.67 0.61 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.356 -1.465 . . . . 0.0 107.251 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.39 19.97 49.21 Favored Glycine 0 N--CA 1.429 -1.785 0 N-CA-C 119.882 2.713 . . . . 0.0 119.882 -172.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -128.62 171.92 11.7 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.22 151.51 39.94 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.733 -1.23 . . . . 0.0 111.256 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -95.19 120.92 36.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.314 1.53 . . . . 0.0 111.473 -167.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -96.16 164.3 12.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.769 -169.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -78.54 -41.87 30.95 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.972 -1.705 . . . . 0.0 112.074 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -60.99 -61.32 2.66 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 125.729 1.612 . . . . 0.0 112.583 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -69.5 -9.99 56.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.66 -45.18 76.0 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.444 -2.035 . . . . 0.0 110.091 164.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -19.4 63.66 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.746 -1.221 . . . . 0.0 112.424 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.359 30.8 pttt -65.13 -49.89 68.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.363 -2.086 . . . . 0.0 115.948 158.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.276 29.4 pt -59.1 -49.93 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-N 120.688 1.585 . . . . 0.0 114.543 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.1 m -76.22 -34.78 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.095 -1.628 . . . . 0.0 114.883 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -82.25 -52.26 7.12 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.39 8.47 38.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 119.465 -2.022 . . . . 0.0 115.375 -161.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.7 mt -43.53 147.21 0.43 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.0 p -76.3 174.04 10.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.319 -0.863 . . . . 0.0 109.472 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.4 -37.97 77.75 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.616 -1.927 . . . . 0.0 110.595 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -56.48 -48.0 78.05 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.608 1.963 . . . . 0.0 113.519 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -55.79 -37.56 68.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.49 -33.67 31.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.468 -1.395 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.27 93.96 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.513 -1.367 . . . . 0.0 112.146 171.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -61.11 -33.22 73.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 123.673 0.789 . . . . 0.0 113.074 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.7 -37.1 62.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.245 -1.534 . . . . 0.0 113.431 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.81 -41.56 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 124.815 1.246 . . . . 0.0 112.521 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -65.8 -43.68 87.95 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -87.34 -41.71 13.42 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 110.68 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -112.79 61.22 0.63 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.074 1.75 . . . . 0.0 112.649 -172.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -53.88 -72.31 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.827 -2.421 . . . . 0.0 117.309 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.65 -39.04 84.59 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.139 -1.6 . . . . 0.0 111.578 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.42 -50.82 35.48 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 124.524 1.059 . . . . 0.0 114.645 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.297 0.1 OUTLIER -69.53 -46.51 66.32 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.057 -178.051 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -51.96 -39.63 59.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.0 2.182 . . . . 0.0 116.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.65 -71.21 0.81 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 120.762 -1.211 . . . . 0.0 116.051 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -64.52 -23.67 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.69 -2.065 . . . . 0.0 114.606 -176.179 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -76.1 -17.52 59.57 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.522 -1.986 . . . . 0.0 114.935 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.215 -2.178 . . . . 0.0 110.415 163.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -69.4 -53.48 19.18 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.801 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.04 -56.51 19.89 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.7 -1.25 . . . . 0.0 111.483 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.36 -33.34 53.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.269 11.2 ptp -84.66 -32.57 23.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 112.816 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-85 -83.21 -2.86 56.6 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.624 -1.922 . . . . 0.0 111.818 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.312 1.6 t . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 123.025 1.393 . . . . 0.0 107.764 166.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 . . . . . 0 N--CA 1.43 -1.453 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -39.95 -49.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.742 2.417 . . . . 0.0 114.858 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.12 -40.27 68.26 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.577 1.151 . . . . 0.0 113.015 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . 0.263 31.0 m -68.19 -42.08 80.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.027 -2.296 . . . . 0.0 113.704 171.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 t -49.78 -33.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.691 -2.506 . . . . 0.0 114.298 163.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -71.91 -47.14 54.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.009 1.323 . . . . 0.0 113.109 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.89 -33.99 71.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 121.062 -1.024 . . . . 0.0 113.066 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.85 -25.71 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.526 -2.609 . . . . 0.0 113.88 168.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.45 -47.81 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.433 -2.042 . . . . 0.0 112.63 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -65.91 -45.49 81.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.783 -1.198 . . . . 0.0 112.234 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 17' ' ' ILE . 2.9 t -53.02 -46.76 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.602 1.961 . . . . 0.0 114.301 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.5 70.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.295 -2.128 . . . . 0.0 114.096 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.1 p -62.88 -29.48 70.79 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 171.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 14' ' ' VAL . 8.9 mm -55.49 -53.18 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.296 1.438 . . . . 0.0 110.936 167.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.07 -41.39 83.29 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.81 -34.54 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.414 1.485 . . . . 0.0 114.492 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.51 75.06 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.802 -1.811 . . . . 0.0 113.323 167.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -85.74 -3.76 58.98 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.487 -1.383 . . . . 0.0 113.742 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t 55.44 48.67 18.44 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.244 2.683 . . . . 0.0 118.244 -171.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -114.48 54.57 0.76 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.678 1.991 . . . . 0.0 111.215 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -73.72 -4.85 37.0 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.228 -2.17 . . . . 0.0 116.569 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.44 -32.81 28.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.945 2.098 . . . . 0.0 115.185 167.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.68 -39.95 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 125.075 1.35 . . . . 0.0 110.218 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -68.79 -45.98 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.388 0 C-N-CA 127.434 2.294 . . . . 0.0 112.263 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -58.85 -25.59 63.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -175.246 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -112.89 107.1 15.56 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -43.21 -31.61 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.75 -38.17 18.52 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.619 2.463 . . . . 0.0 111.921 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -63.14 -33.46 75.51 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.055 -1.653 . . . . 0.0 111.796 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.69 -54.61 32.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.101 2.16 . . . . 0.0 112.665 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' B' ' 54' ' ' PHE . 33.6 mt -52.83 -41.98 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.608 2.363 . . . . 0.0 111.869 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.46 81.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 112.982 -3.487 . . . . 0.0 114.172 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.05 -41.62 62.47 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 128.022 2.529 . . . . 0.0 113.936 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.29 -45.95 69.13 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.714 -2.491 . . . . 0.0 114.325 169.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -73.4 -12.5 60.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.897 1.679 . . . . 0.0 115.059 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.62 -58.1 3.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.638 1.175 . . . . 0.0 112.022 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -88.07 -12.12 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.855 -1.153 . . . . 0.0 110.631 -166.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.93 36.23 4.81 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.688 -1.257 . . . . 0.0 116.171 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.254 1.9 t -74.86 90.67 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.817 1.294 . . . . 0.0 110.319 166.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.4 p -109.62 116.69 32.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.988 1.715 . . . . 0.0 108.645 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -64.97 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -165.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.17 57.38 0.66 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.485 -1.384 . . . . 0.0 107.268 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.16 -8.04 68.96 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 124.265 0.936 . . . . 0.0 114.805 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -114.73 156.1 25.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.954 -1.321 . . . . 0.0 110.719 -166.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -59.31 128.63 38.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.996 1.318 . . . . 0.0 111.563 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.04 130.13 34.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.759 1.266 . . . . 0.0 110.146 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -95.59 155.36 16.77 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.416 1.087 . . . . 0.0 109.676 -165.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -63.4 -40.6 97.64 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.967 -1.708 . . . . 0.0 112.917 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -67.9 -46.53 71.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.669 -1.269 . . . . 0.0 113.172 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -75.68 -14.49 60.35 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.403 -1.436 . . . . 0.0 113.327 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CD2' HD11 ' B' ' 34' ' ' ILE . 72.5 t80 -71.58 -49.02 44.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.365 1.555 . . . . 0.0 109.166 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -25.26 60.48 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.759 -172.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 3.7 pttp -65.25 -61.87 1.88 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 116.556 -1.688 . . . . 0.0 113.804 160.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 34.7 pt -45.03 -45.07 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.41 -41.26 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -42.62 19.96 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.98 12.77 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.19 146.09 53.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.655 -1.903 . . . . 0.0 111.492 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 60.5 p -86.5 171.0 11.42 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.871 -1.143 . . . . 0.0 110.835 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.23 -50.53 72.58 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.128 0.971 . . . . 0.0 111.67 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.16 -38.17 79.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -63.29 -41.21 98.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.26 1.029 . . . . 0.0 113.148 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -77.89 -42.61 32.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.722 1.209 . . . . 0.0 109.835 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.84 -31.81 70.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.167 0.987 . . . . 0.0 112.787 170.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.9 m -61.96 -41.17 97.7 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 112.513 172.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.2 mt -73.41 -37.0 66.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.475 -1.391 . . . . 0.0 112.814 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.0 mt -49.3 -45.13 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.962 1.705 . . . . 0.0 113.688 167.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.93 -37.49 81.72 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.75 -40.45 9.36 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.117 -1.615 . . . . 0.0 113.535 -168.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.35 60.24 0.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 121.034 -1.041 . . . . 0.0 110.453 -167.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -41.96 -71.89 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -42.59 93.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 122.413 1.101 . . . . 0.0 113.723 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.46 -54.77 4.53 Favored Glycine 0 N--CA 1.431 -1.675 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.288 -161.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.278 0.2 OUTLIER -73.06 -36.84 66.96 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.191 -173.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -43.62 -57.38 3.19 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.546 1.976 . . . . 0.0 115.482 166.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -62.25 5.77 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 120.438 -1.414 . . . . 0.0 115.582 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.5 -20.93 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 118.1 -3.0 . . . . 0.0 112.941 -165.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -83.01 -16.42 47.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.568 -1.957 . . . . 0.0 112.795 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -62.93 -44.29 96.49 Favored 'General case' 0 N--CA 1.431 -1.388 0 O-C-N 118.864 -2.398 . . . . 0.0 112.174 158.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -69.78 -51.32 34.9 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.483 1.513 . . . . 0.0 108.594 -168.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.6 -28.18 69.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.843 -1.786 . . . . 0.0 112.9 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.05 -37.19 34.49 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.352 -2.093 . . . . 0.0 110.455 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 10.8 ptp -80.39 -11.92 59.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.422 -1.424 . . . . 0.0 113.32 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.0 m-85 -97.98 1.36 47.81 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.715 -1.241 . . . . 0.0 110.399 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.39 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.496 0 O-C-N 120.619 -1.301 . . . . 0.0 111.614 173.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.43 -1.465 0 CA-C-O 121.956 0.884 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 10.8 tt -38.03 -51.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.199 2.6 . . . . 0.0 117.469 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 56.2 m-20 -57.2 -27.76 62.26 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.89 2.476 . . . . 0.0 113.742 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.5 m -94.63 -27.37 15.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.986 -1.696 . . . . 0.0 109.237 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -64.2 -43.12 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 118.583 -2.573 . . . . 0.0 111.012 171.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -53.8 -53.06 57.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.835 3.654 . . . . 0.0 114.856 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' B' ' 9' ' ' ARG . 7.1 pt-20 -68.21 -35.22 77.63 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.7 -29.93 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 124.69 1.196 . . . . 0.0 109.952 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.27 -58.48 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 127.57 2.348 . . . . 0.0 111.853 167.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 1.1 p -52.93 -49.17 66.52 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG13 HD11 ' B' ' 17' ' ' ILE . 14.8 t -51.48 -48.68 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 168.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.947 1.356 . . . . 0.0 109.333 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.252 10.2 p -67.72 -22.26 65.25 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.504 HG21 HG21 ' B' ' 17' ' ' ILE . 25.9 mm -61.31 -45.11 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 122.477 2.399 . . . . 0.0 111.142 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -32.02 73.29 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.972 -1.705 . . . . 0.0 113.075 176.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.262 86.0 mt -80.36 -36.3 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.056 -1.652 . . . . 0.0 110.967 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG3' HG22 ' B' ' 40' ' ' ILE . 6.6 tmtm? -50.69 -51.81 46.04 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.546 3.138 . . . . 0.0 113.738 168.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.56 -33.58 69.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.43 1.3 t 93.85 32.29 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.808 2.043 . . . . 0.0 114.805 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.89 42.14 1.41 Allowed 'General case' 0 N--CA 1.431 -1.403 1 C-N-CA 131.877 4.071 . . . . 0.0 112.507 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.331 0.0 OUTLIER -60.28 -23.98 64.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 173.345 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -46.61 -25.0 0.62 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.65 -41.26 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 CA-C-N 121.651 2.023 . . . . 0.0 113.434 167.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -68.54 -22.64 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.865 2.466 . . . . 0.0 112.686 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.58 -10.61 59.59 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -129.55 125.27 35.87 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.2 -1.563 . . . . 0.0 111.283 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -48.33 -57.57 5.82 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 128.222 2.609 . . . . 0.0 113.694 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.46 -15.26 62.32 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.91 -36.57 23.24 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.997 -1.689 . . . . 0.0 107.034 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.43 -48.73 76.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.015 1.726 . . . . 0.0 112.585 173.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 51' ' ' GLN . 31.9 mt -57.07 -42.83 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.493 -2.629 . . . . 0.0 114.836 172.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 39' ' ' GLU . . . -60.73 -31.31 70.62 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.345 -1.472 . . . . 0.0 114.712 170.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.255 5.7 t80 -72.71 -40.51 66.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.431 1.493 . . . . 0.0 111.241 173.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.26 -48.08 82.97 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.533 -1.98 . . . . 0.0 114.431 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -57.84 -48.92 78.37 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.559 -1.963 . . . . 0.0 114.246 170.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 2.2 tp10 -52.93 -55.29 24.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 175.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -79.06 -16.81 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 119.688 -1.883 . . . . 0.0 113.843 -178.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.85 45.96 4.37 Favored Glycine 0 N--CA 1.43 -1.713 0 N-CA-C 116.026 1.17 . . . . 0.0 116.026 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -90.45 107.14 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 165.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -106.4 127.57 53.38 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.7 -79.91 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -171.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.52 46.67 1.02 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.313 -1.492 . . . . 0.0 108.359 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.13 19.82 17.92 Favored Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 117.954 1.942 . . . . 0.0 117.954 -163.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -127.76 168.65 14.82 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.58 153.47 31.91 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.386 -1.446 . . . . 0.0 113.742 -172.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.3 115.69 28.54 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-O 123.593 1.663 . . . . 0.0 109.166 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -100.3 177.07 5.16 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.837 1.255 . . . . 0.0 111.881 -168.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 34' ' ' ILE . 3.1 mt-30 -77.15 -38.74 51.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.798 -1.814 . . . . 0.0 112.611 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -71.28 -47.52 56.41 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.056 0.942 . . . . 0.0 113.105 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.78 -23.41 63.34 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.799 -1.813 . . . . 0.0 115.149 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.42 -52.24 66.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 125.366 2.508 . . . . 0.0 112.73 165.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -64.66 -28.55 69.68 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.893 -1.755 . . . . 0.0 114.22 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.289 12.8 ptpt -62.19 -47.48 84.27 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.141 -2.224 . . . . 0.0 115.284 162.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.304 30.7 pt -60.2 -48.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.536 -1.977 . . . . 0.0 113.46 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.92 -41.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.9 m -86.66 -39.75 15.77 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.265 3.6 pt-20 -83.97 9.5 12.17 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 121.861 2.119 . . . . 0.0 114.435 -171.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.77 145.2 12.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.408 -1.432 . . . . 0.0 112.109 175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -82.87 164.86 20.24 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.09 -39.2 81.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.337 -2.727 . . . . 0.0 114.936 172.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.69 -25.57 65.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.47 -30.42 67.23 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.086 -1.634 . . . . 0.0 111.84 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -81.65 -48.16 12.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.351 -1.468 . . . . 0.0 108.39 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -48.33 -39.7 22.81 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 121.433 1.924 . . . . 0.0 115.994 164.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 m -60.85 -38.5 85.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.33 -40.26 89.78 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.582 -1.324 . . . . 0.0 112.321 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.25 -31.94 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 126.643 1.977 . . . . 0.0 114.259 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.91 -43.7 95.18 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.394 -2.066 . . . . 0.0 113.111 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.06 -29.25 17.44 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.28 76.85 1.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 104.256 -2.498 . . . . 0.0 104.256 -167.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -69.94 -67.99 0.45 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.414 -1.429 . . . . 0.0 110.342 -166.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.5 -46.9 87.48 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.977 1.711 . . . . 0.0 114.228 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.435 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -52.72 -60.76 7.51 Favored Glycine 0 N--CA 1.43 -1.7 0 C-N-CA 125.844 1.688 . . . . 0.0 115.292 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.254 0.7 OUTLIER -77.3 -27.84 53.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.726 -1.455 . . . . 0.0 109.982 -168.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.24 -60.12 3.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 122.748 2.522 . . . . 0.0 112.323 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -65.91 2.98 Favored Glycine 0 N--CA 1.43 -1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 114.314 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 76' ' ' GLY 0.251 33.5 m -70.34 -18.84 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.982 -2.481 . . . . 0.0 115.89 -168.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -86.57 -10.66 53.5 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.849 -1.782 . . . . 0.0 113.395 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -66.34 -42.35 88.25 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.808 -2.433 . . . . 0.0 111.13 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -72.87 -48.21 39.42 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.811 2.045 . . . . 0.0 110.998 -173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.058 -2.901 . . . . 0.0 114.03 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -71.86 -63.3 1.16 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.651 -1.281 . . . . 0.0 110.091 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.337 6.3 ptp -37.49 -40.66 0.39 Allowed 'General case' 0 N--CA 1.43 -1.465 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 173.118 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.84 7.49 23.75 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.226 0.921 . . . . 0.0 112.516 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.278 1.3 t . . . . . 0 N--CA 1.431 -1.395 0 CA-C-O 123.841 1.781 . . . . 0.0 109.482 171.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . 0.485 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.2 m-20 . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -69.69 -45.24 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.483 1.913 . . . . 0.0 111.717 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.28 -33.4 69.39 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.246 1.818 . . . . 0.0 111.573 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.4 m -76.84 -49.04 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 112.599 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.8 t -48.78 -37.8 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.704 -1.873 . . . . 0.0 113.862 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 10' ' ' GLU . 52.5 ttt-85 -64.38 -59.54 4.24 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 130.54 3.536 . . . . 0.0 110.58 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.63 -31.13 72.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -71.72 -28.38 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 118.257 -2.777 . . . . 0.0 113.886 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.487 HG23 HG21 ' B' ' 80' ' ' VAL . 3.9 mt -54.29 -55.28 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.553 2.341 . . . . 0.0 113.231 173.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -64.28 -29.24 70.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -72.74 -36.77 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.943 -1.723 . . . . 0.0 111.867 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.75 60.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.419 -2.676 . . . . 0.0 113.356 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 80.3 p -58.58 -30.97 67.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.353 -2.092 . . . . 0.0 115.924 168.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.594 HD11 HG13 ' A' ' 14' ' ' VAL . 1.5 mm -54.71 -48.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.436 1.494 . . . . 0.0 112.485 166.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.74 -46.34 81.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.613 -1.304 . . . . 0.0 112.955 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.14 -35.36 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 119.59 -1.944 . . . . 0.0 115.239 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -39.53 31.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.648 1.567 . . . . 0.0 114.961 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -89.61 2.42 54.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.784 1.234 . . . . 0.0 113.386 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.5 t 58.68 38.36 25.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.498 2.319 . . . . 0.0 114.787 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -102.33 47.72 0.89 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.74 1.616 . . . . 0.0 110.331 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.392 0.0 OUTLIER -67.73 -16.33 64.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 176.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.42 -31.38 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 123.954 1.835 . . . . 0.0 110.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -77.03 -40.99 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.362 1.865 . . . . 0.0 112.457 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.67 -19.29 57.97 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -109.78 117.22 33.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -33.6 -54.28 0.44 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.677 3.191 . . . . 0.0 112.488 164.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.37 63.88 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -79.31 -24.2 43.0 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.321 -2.112 . . . . 0.0 111.13 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -69.09 -52.34 29.43 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.636 1.974 . . . . 0.0 111.844 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mt -57.24 -39.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.49 2.716 . . . . 0.0 112.812 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.23 -50.52 69.93 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.336 1.065 . . . . 0.0 109.545 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 25.9 t80 -52.63 -39.55 61.86 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 166.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.42 -39.09 92.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.256 -1.527 . . . . 0.0 112.79 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -76.52 -16.8 59.54 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 119.531 -1.98 . . . . 0.0 112.738 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.94 -61.97 1.62 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.739 1.616 . . . . 0.0 113.363 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -88.13 -12.64 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-O 123.083 1.42 . . . . 0.0 111.395 -171.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.16 46.71 6.87 Favored Glycine 0 N--CA 1.429 -1.791 0 CA-C-O 116.789 -2.117 . . . . 0.0 116.094 172.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.36 130.68 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 123.457 3.629 . . . . 0.0 105.965 164.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -128.78 157.42 41.5 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.875 1.321 . . . . 0.0 110.664 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.82 -72.84 0.4 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.781 -1.2 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -104.89 33.62 3.54 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.64 -1.913 . . . . 0.0 111.94 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.1 5.11 64.87 Favored Glycine 0 N--CA 1.43 -1.746 0 O-C-N 119.934 -1.728 . . . . 0.0 115.212 -170.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -105.89 163.2 12.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 117.998 0.899 . . . . 0.0 108.945 -171.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.55 117.09 8.26 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.74 124.61 27.56 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.903 1.335 . . . . 0.0 110.567 -163.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -87.92 162.42 16.91 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.94 -1.1 . . . . 0.0 112.693 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.05 -40.96 78.23 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.87 -1.769 . . . . 0.0 112.66 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -67.97 -43.81 78.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.117 1.767 . . . . 0.0 112.178 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.6 m -72.73 -27.34 61.98 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.0 -1.688 . . . . 0.0 113.791 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.17 -49.5 69.55 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.041 1.401 . . . . 0.0 110.35 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -68.84 -29.55 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.767 -1.208 . . . . 0.0 113.27 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.327 10.3 ptpt -60.93 -56.54 19.88 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 164.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.324 26.0 pt -50.0 -46.08 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.68 -43.88 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -77.18 -50.98 11.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.281 4.8 pt-20 -81.59 13.44 3.1 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -169.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.452 HD11 HG21 ' B' ' 8' ' ' VAL . 38.8 mt -54.99 148.29 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 112.703 168.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -89.01 172.05 9.41 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.186 -1.571 . . . . 0.0 109.67 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.26 -45.93 76.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.572 -1.33 . . . . 0.0 113.111 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -61.7 -38.02 86.31 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.479 1.912 . . . . 0.0 114.123 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -63.41 -42.22 98.74 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.412 1.101 . . . . 0.0 112.994 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -73.87 -37.96 64.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.456 -1.402 . . . . 0.0 112.101 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.62 -37.39 75.78 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.531 0.733 . . . . 0.0 112.072 166.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -65.19 -37.74 88.28 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.164 -0.96 . . . . 0.0 112.665 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.62 -55.95 19.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.313 -1.492 . . . . 0.0 113.068 168.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.99 -46.13 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.478 1.911 . . . . 0.0 115.206 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.95 -36.33 81.1 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.362 -1.461 . . . . 0.0 114.894 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -103.93 -37.03 7.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.797 -1.814 . . . . 0.0 112.671 -168.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -113.07 70.11 0.71 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.536 1.534 . . . . 0.0 108.386 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -54.25 -66.93 0.31 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.494 1.517 . . . . 0.0 111.902 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.91 -47.48 65.68 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.45 1.5 . . . . 0.0 113.637 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.79 28.09 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 120.618 3.007 . . . . 0.0 120.618 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.251 0.1 OUTLIER -74.05 -33.05 63.57 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.92 1.86 . . . . 0.0 109.391 -172.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -55.03 -49.54 71.31 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.899 -1.751 . . . . 0.0 113.755 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.96 -70.09 1.09 Allowed Glycine 0 N--CA 1.43 -1.735 0 N-CA-C 114.982 0.753 . . . . 0.0 114.982 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.487 HG21 HG23 ' B' ' 12' ' ' ILE . 30.2 m -65.99 -21.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.5 -2.176 . . . . 0.0 115.534 -171.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -79.44 -19.17 50.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 120.298 1.408 . . . . 0.0 112.599 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.06 -44.27 96.27 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.873 -2.392 . . . . 0.0 111.18 162.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -65.03 -61.44 2.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 128.078 2.551 . . . . 0.0 109.374 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.77 -26.23 57.13 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.51 -1.994 . . . . 0.0 115.42 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -82.72 -36.52 25.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.424 -1.423 . . . . 0.0 109.926 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 9.9 ptp -80.63 -26.07 37.96 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -86.72 -8.37 57.47 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.878 -1.139 . . . . 0.0 112.283 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.316 14.6 t . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 122.768 1.27 . . . . 0.0 111.779 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.431 -1.393 0 CA-C-O 121.734 0.778 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 tt -41.36 -45.22 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -58.99 -53.36 59.28 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.37 1.868 . . . . 0.0 112.065 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -66.14 -32.7 74.3 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.382 -1.449 . . . . 0.0 114.363 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.39 -43.95 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.11 -2.869 . . . . 0.0 113.268 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.272 55.3 ttt180 -51.99 -58.02 7.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.992 2.917 . . . . 0.0 114.413 174.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.655 -1.278 . . . . 0.0 113.837 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.7 -39.69 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.111 -1.618 . . . . 0.0 111.226 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.8 mt -53.47 -40.08 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 127.262 2.225 . . . . 0.0 116.079 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 p -71.82 -41.02 68.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.957 -1.09 . . . . 0.0 111.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -58.31 -43.52 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.235 1.814 . . . . 0.0 114.999 168.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.99 95.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.07 -1.644 . . . . 0.0 112.043 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 p -70.83 -10.92 60.54 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 172.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 17' ' ' ILE . 34.0 mm -63.79 -51.27 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 120.179 1.354 . . . . 0.0 110.104 164.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 26' ' ' ILE . 3.1 mp -63.45 -33.35 75.36 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.601 -1.312 . . . . 0.0 112.344 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mt -77.44 -26.04 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.191 -1.568 . . . . 0.0 112.518 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.3 -44.98 96.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.747 -1.846 . . . . 0.0 113.369 164.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -87.53 -2.06 58.36 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.902 -1.749 . . . . 0.0 113.944 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t 64.8 41.82 4.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.461 1.904 . . . . 0.0 114.733 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -111.76 36.93 3.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.285 2.234 . . . . 0.0 110.735 174.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.388 0.0 OUTLIER -55.53 -24.26 31.0 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 176.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -33.78 -51.16 0.38 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 128.808 2.843 . . . . 0.0 117.274 163.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 18' ' ' LEU . 4.2 mt -66.82 -36.83 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.18 1.392 . . . . 0.0 112.203 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.45 -36.7 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.855 1.662 . . . . 0.0 113.264 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.263 1.6 pt-20 -67.2 -19.58 65.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 120.5 3.519 . . . . 0.0 120.5 -163.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -114.55 127.92 56.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.752 -1.843 . . . . 0.0 110.779 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -33.95 -61.95 0.33 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.738 3.215 . . . . 0.0 113.786 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.48 34.49 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -48.91 -38.26 22.19 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.96 -51.26 65.18 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.389 1.475 . . . . 0.0 114.941 170.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -51.07 -41.29 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 128.025 2.53 . . . . 0.0 114.822 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.25 93.89 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.736 -1.227 . . . . 0.0 113.112 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.0 -41.57 99.62 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.068 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.47 -44.45 76.48 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.163 -1.585 . . . . 0.0 114.564 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.39 -18.73 61.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.687 -1.883 . . . . 0.0 116.077 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -72.44 -50.52 25.66 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.312 -1.492 . . . . 0.0 109.911 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -7.56 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.771 -1.205 . . . . 0.0 113.282 -176.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.05 43.19 7.23 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 116.772 1.469 . . . . 0.0 116.772 173.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.02 123.87 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 119.302 1.551 . . . . 0.0 108.493 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -107.32 156.83 18.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.132 1.373 . . . . 0.0 109.713 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.403 ' CD2' ' CD ' ' A' ' 45' ' ' GLU 0.339 4.1 t60 -73.87 -108.83 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 121.403 -0.81 . . . . 0.0 113.179 155.196 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CD ' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mp0 -93.02 54.11 2.1 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 118.42 -2.675 . . . . 0.0 110.968 -178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.06 22.74 73.33 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -129.17 156.71 43.49 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 169.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -81.21 153.45 27.18 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.093 -1.004 . . . . 0.0 109.922 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.48 128.38 44.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 123.045 1.402 . . . . 0.0 112.507 -144.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.26 157.67 17.02 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.159 -1.588 . . . . 0.0 112.21 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.02 -41.94 90.3 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.845 -1.784 . . . . 0.0 114.298 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -70.6 -45.57 65.04 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.154 1.382 . . . . 0.0 111.802 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -73.64 -18.65 61.01 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.42 -46.12 91.18 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 124.605 2.145 . . . . 0.0 111.042 163.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.46 -32.23 73.46 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.314 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.271 12.0 ptpt -65.47 -42.82 91.84 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.067 -1.645 . . . . 0.0 114.638 168.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 25.5 pt -62.15 -47.9 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.662 -1.274 . . . . 0.0 112.52 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.0 -38.04 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -78.88 -55.43 5.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.02 13.27 13.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.57 152.85 0.19 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.654 1.982 . . . . 0.0 115.225 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -82.98 174.28 11.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.72 -1.863 . . . . 0.0 109.354 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -70.79 -38.7 73.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.661 -1.899 . . . . 0.0 110.559 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.159 -2.213 . . . . 0.0 114.968 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -67.56 -30.07 69.61 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.601 1.191 . . . . 0.0 114.191 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.64 -38.54 47.6 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.35 -28.14 62.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.155 -1.591 . . . . 0.0 112.586 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.4 m -61.55 -40.97 96.6 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.844 -1.16 . . . . 0.0 113.287 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.07 -34.51 71.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.686 -1.259 . . . . 0.0 113.385 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.62 -36.8 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 112.423 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.49 -34.86 78.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.818 -2.426 . . . . 0.0 114.828 172.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -88.85 -25.42 22.18 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.424 -1.423 . . . . 0.0 114.125 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -146.93 70.08 1.19 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 119.626 -1.921 . . . . 0.0 106.757 -171.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -51.99 -71.68 0.06 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -167.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -33.2 62.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.047 1.339 . . . . 0.0 112.067 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -46.84 76.51 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 124.651 1.119 . . . . 0.0 114.455 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.387 0.2 OUTLIER -71.0 -45.11 64.55 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 119.523 1.662 . . . . 0.0 111.161 178.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -43.42 -52.47 5.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.701 2.046 . . . . 0.0 115.982 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.32 -60.33 6.43 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.974 -1.079 . . . . 0.0 114.839 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.2 m -69.12 -20.37 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 119.568 -2.137 . . . . 0.0 113.737 -171.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -80.78 -24.74 38.4 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.206 -1.559 . . . . 0.0 112.961 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.25 8.1 mmt-85 -62.84 -38.51 91.07 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.632 -1.918 . . . . 0.0 111.968 167.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.77 -59.88 4.5 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.729 1.612 . . . . 0.0 107.314 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.98 -29.94 65.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.77 -39.52 73.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.576 1.08 . . . . 0.0 112.506 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 ptp -85.81 -17.43 35.75 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.693 -1.254 . . . . 0.0 112.378 -165.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.6 m-30 -88.38 -5.37 58.33 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.232 2.213 . . . . 0.0 112.666 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.455 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 86.0 m-20 . . . . . 0 N--CA 1.43 -1.471 0 CA-C-O 122.239 1.018 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -54.74 -47.11 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 128.928 2.891 . . . . 0.0 113.904 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -62.06 -34.67 76.7 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.862 1.665 . . . . 0.0 112.637 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -74.08 -44.95 52.21 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 120.732 -1.23 . . . . 0.0 112.07 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' ASN . 5.5 t -53.1 -41.7 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.933 -2.354 . . . . 0.0 112.913 170.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -59.72 -53.57 56.41 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.036 2.134 . . . . 0.0 114.594 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.54 -37.17 86.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.88 -32.36 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.94 -1.725 . . . . 0.0 113.337 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.69 -54.12 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.006 2.122 . . . . 0.0 111.561 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -65.2 -31.88 73.27 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.477 1.511 . . . . 0.0 114.941 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 17' ' ' ILE . 2.1 t -65.86 -40.51 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 CA-C-O 122.379 1.085 . . . . 0.0 113.068 169.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.65 53.2 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 119.209 -2.182 . . . . 0.0 112.551 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 92.5 p -64.66 -27.68 69.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 119.7 -1.875 . . . . 0.0 114.355 170.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.528 HD11 HG13 ' A' ' 14' ' ' VAL . 1.2 mm -57.68 -46.94 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.254 1.022 . . . . 0.0 113.275 167.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.15 -40.52 81.58 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.192 -0.942 . . . . 0.0 111.991 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.4 -35.81 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.188 -1.57 . . . . 0.0 114.794 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -40.96 59.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.028 1.74 . . . . 0.0 113.549 168.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -90.67 7.95 36.84 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.4 t 52.88 41.97 31.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.504 2.322 . . . . 0.0 114.81 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -108.0 49.59 0.8 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.828 1.651 . . . . 0.0 109.748 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -70.94 -15.28 62.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.654 -1.904 . . . . 0.0 114.84 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.22 -33.75 54.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 167.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.72 -29.0 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.786 -1.196 . . . . 0.0 110.983 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.12 -41.81 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.548 1.539 . . . . 0.0 111.843 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.2 -2.44 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 130.695 3.598 . . . . 0.0 119.778 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.52 133.49 36.55 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.415 -2.053 . . . . 0.0 109.579 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -42.01 -63.48 0.73 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.316 2.646 . . . . 0.0 113.635 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.95 63.25 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -58.77 -25.6 63.22 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.86 -54.47 22.02 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.405 HG21 ' HG2' ' B' ' 51' ' ' GLN . 30.7 mt -54.14 -38.89 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.313 3.445 . . . . 0.0 113.947 171.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.41 72.76 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.773 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.292 2.9 t80 -60.2 -36.68 78.2 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 171.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.41 -43.88 84.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.54 -1.975 . . . . 0.0 112.266 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -80.27 -9.29 59.73 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.292 -1.505 . . . . 0.0 114.602 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.56 -63.24 1.11 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.866 0.841 . . . . 0.0 109.925 164.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 pt -83.18 -22.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.757 -1.214 . . . . 0.0 114.19 -166.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.04 31.87 6.73 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 120.575 -1.328 . . . . 0.0 116.09 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.275 2.3 t -69.44 121.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 117.908 0.854 . . . . 0.0 111.568 167.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.9 p -109.11 154.2 22.63 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.853 -172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -73.26 -83.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.817 -1.177 . . . . 0.0 112.909 161.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.46 52.08 0.72 Allowed 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.747 -1.221 . . . . 0.0 111.735 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 16.25 76.05 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.758 -1.214 . . . . 0.0 115.142 -175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -134.57 155.23 50.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.931 1.692 . . . . 0.0 107.29 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -73.45 148.76 42.93 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.956 -1.715 . . . . 0.0 114.218 -169.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.86 124.64 40.89 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 122.602 1.192 . . . . 0.0 113.949 -162.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.64 157.07 16.68 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.054 1.742 . . . . 0.0 111.937 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 34' ' ' ILE . 86.6 mt-30 -67.73 -44.8 76.72 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.753 -1.842 . . . . 0.0 115.736 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -72.87 -32.16 65.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.977 -1.702 . . . . 0.0 112.777 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 26.0 m -81.68 -20.56 39.28 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.728 1.611 . . . . 0.0 113.959 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -64.45 -46.16 84.31 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 123.635 1.683 . . . . 0.0 109.617 165.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.17 -34.37 77.39 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.56 -1.337 . . . . 0.0 112.337 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.344 12.9 ptpt -58.95 -52.35 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.313 43.0 pt -54.11 -38.2 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -89.31 -41.66 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -70.53 -56.78 5.74 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.655 -1.903 . . . . 0.0 113.406 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.34 15.2 pt-20 -86.63 12.21 11.12 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.091 1.885 . . . . 0.0 116.091 -168.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.4 mt -49.3 138.15 13.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.797 -1.19 . . . . 0.0 112.491 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 46.9 p -77.92 168.27 20.17 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.965 -1.709 . . . . 0.0 110.772 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.32 -42.19 95.1 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.162 -1.586 . . . . 0.0 111.774 173.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.33 -26.65 64.81 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.79 -39.27 76.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.456 -2.028 . . . . 0.0 111.803 169.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.7 -42.28 51.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.745 -1.847 . . . . 0.0 110.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -56.25 -35.08 67.0 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.234 1.014 . . . . 0.0 113.478 166.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.6 m -59.41 -45.12 92.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 118.915 0.779 . . . . 0.0 112.879 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.2 mt -66.74 -45.93 77.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.31 1.044 . . . . 0.0 112.527 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -50.18 -44.18 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.575 2.35 . . . . 0.0 113.781 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -61.0 -40.88 95.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.297 -1.502 . . . . 0.0 114.677 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -99.81 -29.46 12.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -166.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.26 75.3 0.92 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.219 -1.551 . . . . 0.0 109.722 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -60.51 -73.42 0.09 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -169.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.52 -35.42 73.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.673 -1.267 . . . . 0.0 112.351 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.58 -58.33 4.22 Favored Glycine 0 N--CA 1.43 -1.724 0 C-N-CA 124.692 1.139 . . . . 0.0 110.44 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.343 1.0 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.051 1.926 . . . . 0.0 111.419 -172.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.94 -54.13 13.74 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 122.767 2.53 . . . . 0.0 114.845 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.75 -58.85 9.75 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.899 -1.125 . . . . 0.0 115.424 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.26 -20.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.512 -2.758 . . . . 0.0 113.739 -169.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -72.93 -22.68 60.69 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.14 -2.225 . . . . 0.0 113.163 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -61.7 -48.16 82.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 115.95 -2.3 . . . . 0.0 112.526 162.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -65.52 -52.3 53.66 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.675 1.59 . . . . 0.0 110.817 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.99 -35.26 74.63 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.509 -1.995 . . . . 0.0 113.911 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.89 -37.91 58.35 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 118.955 -2.341 . . . . 0.0 111.632 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.3 ptp -80.38 -19.05 47.21 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 122.786 1.279 . . . . 0.0 114.406 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -85.21 -13.92 48.45 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.167 -1.583 . . . . 0.0 110.78 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 171.111 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 N--CA 1.43 -1.453 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -41.45 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.228 2.611 . . . . 0.0 113.328 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -66.07 -36.27 82.74 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.893 1.277 . . . . 0.0 113.701 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.9 m -74.71 -45.79 41.87 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.975 -1.703 . . . . 0.0 111.019 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -48.49 -36.5 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.139 1.776 . . . . 0.0 114.848 168.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -60.18 -60.1 4.36 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.027 2.131 . . . . 0.0 112.348 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.96 -30.63 71.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG12 HG11 ' A' ' 42' ' ' VAL . 55.3 mt -73.8 -29.92 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.942 -2.349 . . . . 0.0 113.12 173.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -56.61 -56.76 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.12 -2.238 . . . . 0.0 113.542 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.476 HG21 HG22 ' B' ' 42' ' ' VAL . 7.4 p -54.58 -46.47 73.75 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.99 1.716 . . . . 0.0 113.513 175.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.62 -38.16 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 125.791 1.636 . . . . 0.0 113.093 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.16 60.08 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 117.771 -3.081 . . . . 0.0 113.038 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 p -59.76 -30.9 69.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -52.8 -48.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.836 1.654 . . . . 0.0 113.622 165.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.59 -46.47 80.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.96 -37.51 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.032 -2.292 . . . . 0.0 114.833 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -45.9 39.32 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.137 1.775 . . . . 0.0 113.711 166.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -84.74 8.8 15.85 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t 61.5 31.44 18.97 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 126.932 2.093 . . . . 0.0 114.482 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -110.91 51.51 0.77 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.624 1.57 . . . . 0.0 110.092 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -1.9 38.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.902 -1.749 . . . . 0.0 113.295 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -55.51 -40.18 71.45 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.062 2.545 . . . . 0.0 114.298 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.72 -37.45 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.007 1.723 . . . . 0.0 110.516 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.43 -35.89 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 126.111 1.764 . . . . 0.0 111.752 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.4 tt0 -57.55 1.94 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.23 147.78 29.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.637 -2.539 . . . . 0.0 108.977 168.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -55.49 15.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.886 1.675 . . . . 0.0 114.103 171.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.21 -52.92 56.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -166.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -50.64 -32.97 20.56 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.741 2.016 . . . . 0.0 115.314 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.85 -44.26 32.97 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 124.975 1.31 . . . . 0.0 111.986 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.96 -39.38 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 128.23 2.612 . . . . 0.0 113.025 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.28 64.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.562 1.173 . . . . 0.0 110.059 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.276 24.7 t80 -46.79 -44.3 19.06 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.589 2.441 . . . . 0.0 117.589 161.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -39.18 72.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.399 -2.063 . . . . 0.0 113.731 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -82.81 -20.47 35.68 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.822 -1.799 . . . . 0.0 112.46 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.08 -42.22 73.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.309 1.444 . . . . 0.0 114.213 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.08 -20.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 177.403 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 46.65 4.97 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 117.208 1.643 . . . . 0.0 117.208 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 HD11 ' A' ' 40' ' ' ILE . 47.2 t -84.93 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 123.339 3.57 . . . . 0.0 107.356 164.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -116.06 160.26 20.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.118 0.961 . . . . 0.0 109.482 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.305 8.7 t60 -76.67 -98.48 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.644 -1.285 . . . . 0.0 112.652 168.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -95.1 54.08 1.63 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.288 -2.132 . . . . 0.0 109.897 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.09 7.46 84.37 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 114.646 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.57 147.1 42.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.402 1.081 . . . . 0.0 111.104 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.54 126.78 29.95 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.63 1.572 . . . . 0.0 111.855 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.97 126.14 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.335 -1.478 . . . . 0.0 113.627 -157.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -85.35 147.38 26.55 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.889 1.676 . . . . 0.0 111.683 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -53.33 -48.84 68.11 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.048 2.139 . . . . 0.0 116.439 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -77.09 -35.37 56.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.122 -1.611 . . . . 0.0 112.219 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -80.13 -13.57 59.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -67.52 -50.13 60.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.656 1.983 . . . . 0.0 109.792 164.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HB3' HH11 ' A' ' 55' ' ' ARG . 0.7 OUTLIER -66.32 -30.85 71.34 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.847 1.259 . . . . 0.0 111.419 -176.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.434 13.1 ptpt -59.26 -63.97 1.11 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 160.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.313 30.8 pt -45.63 -42.16 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.63 -42.85 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 120.97 -1.081 . . . . 0.0 113.643 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -74.83 -47.12 32.18 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.866 1.667 . . . . 0.0 115.115 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.4 10.27 9.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -165.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.34 143.73 22.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.169 -1.582 . . . . 0.0 112.224 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 p -82.38 171.0 14.67 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.266 -2.146 . . . . 0.0 108.483 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.75 -44.33 73.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.708 -1.245 . . . . 0.0 112.863 171.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.54 -39.74 94.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.21 -38.61 83.88 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 126.645 1.978 . . . . 0.0 110.808 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.56 -42.68 41.92 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.916 2.086 . . . . 0.0 110.559 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -60.66 -30.86 70.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.906 -1.121 . . . . 0.0 113.376 167.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 m -63.09 -42.01 99.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.898 -1.127 . . . . 0.0 112.73 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.1 -44.63 83.77 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.695 -1.253 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.62 -44.5 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 120.272 -1.517 . . . . 0.0 114.883 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -55.16 -42.83 73.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.946 -1.721 . . . . 0.0 114.756 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.22 -34.51 11.61 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -119.84 51.84 1.15 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.488 -2.008 . . . . 0.0 110.552 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -39.52 -72.59 0.06 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.1 2.16 . . . . 0.0 116.532 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -71.32 -51.25 25.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.195 1.798 . . . . 0.0 112.737 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.37 93.82 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 118.477 -1.18 . . . . 0.0 114.942 -175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 1.0 OUTLIER -70.75 -45.81 64.12 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.122 -176.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.84 -54.07 3.52 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.417 2.371 . . . . 0.0 115.862 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.41 -60.33 7.21 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 114.848 0.699 . . . . 0.0 114.848 176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.16 -21.02 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 118.491 -2.77 . . . . 0.0 113.412 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -78.42 -23.8 46.49 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.693 -1.88 . . . . 0.0 113.632 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 mmm-85 -61.56 -40.6 95.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.478 1.49 . . . . 0.0 111.161 167.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.11 -50.68 53.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.842 1.657 . . . . 0.0 108.481 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.13 -46.69 87.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.004 -1.685 . . . . 0.0 111.298 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.99 -49.77 65.5 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.4 ptp -77.28 -20.31 55.26 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 121.124 -0.985 . . . . 0.0 113.563 -169.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.9 m-30 -88.44 -0.93 57.73 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.057 0.943 . . . . 0.0 111.979 -175.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.253 2.2 t . . . . . 0 N--CA 1.428 -1.531 0 CA-C-O 122.684 1.231 . . . . 0.0 108.033 167.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 p30 . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -52.9 -41.6 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.929 2.491 . . . . 0.0 115.586 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -65.63 -20.82 66.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.767 2.027 . . . . 0.0 112.642 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -78.88 -49.35 13.02 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.398 -1.439 . . . . 0.0 109.966 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.456 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.7 t -58.96 -37.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 119.009 -2.307 . . . . 0.0 114.063 176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -49.63 -62.63 1.45 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 129.395 3.078 . . . . 0.0 112.516 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.98 -27.97 68.54 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mt -80.42 -29.76 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.263 -2.148 . . . . 0.0 112.194 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.69 -41.63 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.608 1.963 . . . . 0.0 113.308 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . 0.405 HG21 HG22 ' A' ' 42' ' ' VAL . 12.5 p -75.96 -38.45 57.5 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 121.763 0.792 . . . . 0.0 113.097 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.432 HG13 ' CD1' ' A' ' 17' ' ' ILE . 27.6 t -51.46 -48.44 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-O 124.223 1.963 . . . . 0.0 113.938 163.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.74 62.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.57 -1.331 . . . . 0.0 110.537 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -74.28 -18.51 60.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.955 -1.716 . . . . 0.0 113.376 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -62.46 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-N 120.217 1.371 . . . . 0.0 110.402 164.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.571 HD23 HG22 ' B' ' 17' ' ' ILE . 9.8 mt -65.55 -28.23 69.01 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.239 -2.163 . . . . 0.0 114.937 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.252 44.2 mt -77.26 -29.4 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 120.188 -1.57 . . . . 0.0 110.352 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.77 91.91 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.154 1.782 . . . . 0.0 114.134 170.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . 0.539 ' CE2' HG23 ' B' ' 17' ' ' ILE . 31.3 m-85 -94.38 8.98 40.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 119.925 -1.734 . . . . 0.0 113.812 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t 70.59 43.18 0.79 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.774 1.23 . . . . 0.0 113.886 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -121.34 31.83 6.17 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.87 2.468 . . . . 0.0 110.978 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.313 0.0 OUTLIER -61.9 -1.86 0.74 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 175.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.49 -26.96 63.84 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.417 -1.427 . . . . 0.0 112.084 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.56 -39.33 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.06 1.744 . . . . 0.0 111.127 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 t -74.72 -27.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.124 -1.61 . . . . 0.0 112.763 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 8.0 tm-20 -72.14 -11.81 60.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.329 2.252 . . . . 0.0 115.014 -171.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.76 124.11 21.96 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.92 -1.112 . . . . 0.0 110.049 170.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -49.61 60.76 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.102 1.761 . . . . 0.0 113.596 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.96 66.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 117.41 -3.306 . . . . 0.0 118.716 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.43 -32.1 26.26 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.791 -1.818 . . . . 0.0 111.018 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.79 -52.84 63.37 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.104 1.761 . . . . 0.0 111.3 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.58 -43.86 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 130.182 3.393 . . . . 0.0 113.534 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.63 68.68 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 174.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.12 39.21 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.081 173.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.0 -46.34 85.4 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.688 -1.882 . . . . 0.0 112.756 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -81.04 -9.2 59.86 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.443 -2.036 . . . . 0.0 113.768 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -70.87 -49.92 40.82 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.691 -1.256 . . . . 0.0 111.916 168.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.518 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -90.18 -12.62 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.484 -1.385 . . . . 0.0 114.21 -176.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.97 43.28 6.04 Favored Glycine 0 N--CA 1.43 -1.756 0 N-CA-C 116.435 1.334 . . . . 0.0 116.435 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.518 HG23 HD11 ' B' ' 40' ' ' ILE . 17.4 t -96.68 127.57 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 119.353 1.577 . . . . 0.0 106.777 160.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -140.11 164.99 28.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -81.23 -67.81 0.75 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.93 0.871 . . . . 0.0 112.854 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -113.01 32.47 5.69 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.218 -1.551 . . . . 0.0 110.022 -170.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.05 15.72 60.96 Favored Glycine 0 N--CA 1.429 -1.776 0 O-C-N 119.788 -1.82 . . . . 0.0 115.511 -165.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -112.7 152.01 29.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.27 133.75 50.29 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.91 -1.744 . . . . 0.0 112.395 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -86.29 116.28 24.36 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.304 1.05 . . . . 0.0 109.757 -157.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.51 161.51 18.54 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -166.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.66 -42.21 78.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.396 -1.44 . . . . 0.0 114.577 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -71.59 -47.11 56.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.359 1.464 . . . . 0.0 111.931 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -70.33 -23.57 62.85 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.334 -2.104 . . . . 0.0 115.923 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.73 -51.9 67.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.773 -1.829 . . . . 0.0 112.147 163.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -65.85 -20.65 66.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.645 -1.284 . . . . 0.0 114.26 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER -68.81 -45.69 70.57 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.45 -2.031 . . . . 0.0 115.155 165.253 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.328 6.9 pt -57.12 -55.78 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 121.081 1.764 . . . . 0.0 112.741 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.46 -25.55 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -80.67 -49.13 11.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.18 11.4 9.95 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -160.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.64 146.34 25.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.471 1.508 . . . . 0.0 111.161 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -86.52 170.93 11.47 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.223 -1.548 . . . . 0.0 107.066 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -61.07 -40.78 94.98 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.252 -2.155 . . . . 0.0 112.43 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.41 -35.51 70.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.077 2.151 . . . . 0.0 115.305 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.31 -36.24 63.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.434 -1.416 . . . . 0.0 113.751 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -73.1 -44.83 59.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.745 -1.222 . . . . 0.0 109.935 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -52.66 -40.62 63.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 120.525 1.511 . . . . 0.0 114.048 164.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -59.7 -39.43 84.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 175.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.2 -45.6 66.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.353 -1.467 . . . . 0.0 112.991 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.23 -48.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.872 2.069 . . . . 0.0 113.099 171.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -59.44 -45.73 90.74 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.91 1.684 . . . . 0.0 114.692 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -100.21 -27.6 13.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.815 -1.178 . . . . 0.0 113.982 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.16 60.66 0.78 Allowed 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -53.47 -70.16 0.1 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.528 1.931 . . . . 0.0 114.989 -167.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -57.39 -56.51 20.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.775 1.63 . . . . 0.0 114.23 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . 0.569 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -57.24 -50.77 62.0 Favored Glycine 0 N--CA 1.431 -1.672 0 C-N-CA 125.759 1.647 . . . . 0.0 115.394 -173.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.315 0.5 OUTLIER -78.43 -35.77 46.47 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.681 1.741 . . . . 0.0 111.823 -175.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -54.02 -55.24 29.16 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 122.759 2.527 . . . . 0.0 114.809 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.69 7.1 Favored Glycine 0 N--CA 1.43 -1.747 0 CA-C-O 122.837 1.243 . . . . 0.0 114.907 173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.569 HG22 ' O ' ' B' ' 76' ' ' GLY . 16.2 m -64.91 -26.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.722 -2.046 . . . . 0.0 115.759 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.04 -15.5 58.87 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.806 -1.809 . . . . 0.0 112.912 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -63.68 -49.42 73.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.492 -2.005 . . . . 0.0 111.084 160.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . 0.4 ' HA ' ' HE3' ' B' ' 86' ' ' MET . 7.6 m-85 -64.76 -59.76 3.87 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 126.558 1.943 . . . . 0.0 110.491 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -51.98 -36.38 49.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.841 -1.787 . . . . 0.0 114.956 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -77.37 -36.78 53.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.906 -1.121 . . . . 0.0 112.036 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 83' ' ' TYR . 12.4 ptp -75.02 -29.09 60.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.832 -1.793 . . . . 0.0 113.427 -173.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 21.6 m-85 -88.35 12.78 13.19 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.464 1.506 . . . . 0.0 112.623 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.453 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.443 0 C-N-CA 125.172 1.389 . . . . 0.0 109.505 163.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.43 -1.44 0 CA-C-O 121.8 0.809 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.02 -45.38 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.128 2.571 . . . . 0.0 113.166 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.16 -42.71 66.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.742 2.017 . . . . 0.0 115.129 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -83.49 -32.08 26.15 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 123.623 0.769 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.35 -38.28 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 O-C-N 119.333 -2.105 . . . . 0.0 113.06 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -66.56 -48.08 70.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.956 2.102 . . . . 0.0 113.528 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.96 -51.17 43.42 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.391 1.476 . . . . 0.0 112.034 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -77.43 -23.68 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.397 -1.439 . . . . 0.0 113.737 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.02 -62.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 118.475 -2.64 . . . . 0.0 112.178 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -59.11 -36.27 74.87 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.779 1.232 . . . . 0.0 112.628 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 17' ' ' ILE . 2.3 t -58.86 -42.86 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.76 1.624 . . . . 0.0 114.93 169.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.24 -38.73 68.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 118.03 -2.919 . . . . 0.0 110.459 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -25.3 67.43 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.586 HG21 HG21 ' B' ' 17' ' ' ILE . 7.2 mm -55.97 -50.76 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 120.249 1.386 . . . . 0.0 110.505 164.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD23 ' HB ' ' A' ' 26' ' ' ILE . 4.1 mp -57.97 -43.75 86.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 122.723 0.409 . . . . 0.0 111.743 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -76.93 -19.43 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 O-C-N 118.791 -2.443 . . . . 0.0 113.674 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -44.18 97.28 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.294 -2.754 . . . . 0.0 110.953 166.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.01 -2.56 44.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.216 1.806 . . . . 0.0 113.422 172.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 52.51 47.57 24.42 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -110.31 58.64 0.61 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.868 1.667 . . . . 0.0 110.875 168.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.351 0.0 OUTLIER -69.15 -11.17 60.56 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 178.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -35.69 26.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.149 2.58 . . . . 0.0 116.453 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.411 ' HB ' HD23 ' A' ' 18' ' ' LEU . 37.1 mt -75.1 -33.68 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.283 -1.511 . . . . 0.0 111.108 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.45 -34.88 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.54 -1.35 . . . . 0.0 111.229 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 41.6 tt0 -50.51 -13.75 0.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 129.765 3.226 . . . . 0.0 119.411 -177.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.48 133.33 32.58 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.598 -1.939 . . . . 0.0 109.014 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -54.49 -48.03 72.32 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.659 1.184 . . . . 0.0 113.38 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.72 -51.64 68.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.357 -1.464 . . . . 0.0 114.505 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -54.35 -34.05 60.29 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -71.03 -49.43 45.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.564 1.546 . . . . 0.0 112.288 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 51' ' ' GLN . 48.7 mt -50.17 -42.38 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 129.06 2.944 . . . . 0.0 114.587 168.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.88 31.63 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.22 -42.36 14.11 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.011 2.124 . . . . 0.0 114.262 169.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.22 -45.57 75.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 120.353 1.433 . . . . 0.0 114.252 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -76.12 -23.33 54.87 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.726 -1.859 . . . . 0.0 113.764 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.95 -47.1 72.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.353 -1.467 . . . . 0.0 112.899 171.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.427 HG21 HD13 ' B' ' 17' ' ' ILE . 33.8 pt -82.5 -19.98 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 O-C-N 120.731 -1.231 . . . . 0.0 112.578 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.15 24.77 13.87 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-O 117.968 -1.462 . . . . 0.0 116.365 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.61 125.43 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.948 3.874 . . . . 0.0 109.832 172.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -107.89 157.34 18.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.254 7.9 t60 -79.84 -96.73 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.244 -0.91 . . . . 0.0 112.847 169.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -91.58 50.1 1.67 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.757 -1.84 . . . . 0.0 110.199 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.34 -0.34 69.01 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.847 -1.158 . . . . 0.0 114.949 -170.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -125.89 169.33 12.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.972 -1.311 . . . . 0.0 110.449 -167.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -67.8 127.05 31.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.73 120.38 27.09 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.357 1.551 . . . . 0.0 111.594 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -100.0 175.59 5.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.295 1.438 . . . . 0.0 112.298 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 34' ' ' ILE . 48.7 tt0 -72.91 -46.63 51.53 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.053 -1.654 . . . . 0.0 113.707 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -66.33 -43.92 84.76 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.205 1.402 . . . . 0.0 111.912 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -74.14 -18.33 60.8 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.506 1.522 . . . . 0.0 114.137 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -70.37 -46.43 64.09 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 123.669 1.7 . . . . 0.0 110.676 169.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' HB2' HH11 ' A' ' 55' ' ' ARG . 2.3 mtp-105 -63.1 -35.4 80.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.272 -2.142 . . . . 0.0 112.166 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -25.1 62.97 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 174.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.36 40.4 pt -68.0 -45.33 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 121.1 -1.0 . . . . 0.0 113.54 168.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.72 -43.51 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -78.51 -55.23 5.37 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -167.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.24 11.76 2.7 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.003 2.224 . . . . 0.0 117.003 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.11 148.99 7.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 126.129 1.771 . . . . 0.0 114.7 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.4 p -89.91 172.87 8.57 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.42 -1.425 . . . . 0.0 109.439 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -58.57 -45.24 89.43 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.228 -1.545 . . . . 0.0 112.331 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.89 -35.22 77.69 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.53 -43.52 89.75 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.42 1.105 . . . . 0.0 112.267 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -72.84 -47.25 47.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.693 -1.254 . . . . 0.0 110.195 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.98 -37.98 55.01 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.037 1.335 . . . . 0.0 113.288 167.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.7 m -60.46 -44.28 96.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 112.501 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 mt -71.24 -38.99 71.93 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.717 -1.239 . . . . 0.0 112.964 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -56.12 -47.66 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.371 1.469 . . . . 0.0 112.906 170.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.39 -40.5 94.56 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.54 -29.9 17.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.615 -1.303 . . . . 0.0 113.512 -174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.48 56.57 1.36 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -50.62 -58.46 5.78 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.332 -2.105 . . . . 0.0 114.596 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 -46.42 81.78 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 124.023 1.868 . . . . 0.0 113.92 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.25 -50.1 6.98 Favored Glycine 0 N--CA 1.43 -1.751 0 O-C-N 120.863 -1.148 . . . . 0.0 113.57 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.265 1.6 t80 -75.7 -32.62 60.16 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.084 -1.245 . . . . 0.0 110.746 -173.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CD ' HH12 ' A' ' 82' ' ' ARG . 11.1 mm-40 -52.62 -50.91 62.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.073 2.215 . . . . 0.0 114.096 167.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.48 -70.4 1.02 Allowed Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.369 -1.457 . . . . 0.0 114.727 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -67.68 -21.72 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.068 -2.43 . . . . 0.0 115.389 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -80.44 -21.53 42.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 120.607 1.548 . . . . 0.0 112.578 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.417 HH12 ' CD ' ' A' ' 78' ' ' GLU . 80.2 mmt-85 -62.61 -37.35 85.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 115.911 -2.316 . . . . 0.0 113.248 163.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.48 -51.81 13.76 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.226 1.41 . . . . 0.0 107.839 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.65 -41.31 97.33 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.697 -1.877 . . . . 0.0 111.967 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.62 -35.94 75.7 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.583 -1.948 . . . . 0.0 114.061 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -72.66 -29.61 63.58 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.196 -1.565 . . . . 0.0 113.824 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 22.1 m-85 -85.67 -7.82 58.58 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.575 1.15 . . . . 0.0 110.132 -175.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.28 5.8 t . . . . . 0 N--CA 1.43 -1.442 0 CA-C-O 122.709 1.242 . . . . 0.0 110.605 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.429 -1.495 0 CA-C-O 121.324 0.583 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tt -53.82 -40.47 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 126.664 1.986 . . . . 0.0 114.887 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -68.23 -22.03 64.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.856 1.662 . . . . 0.0 115.102 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -87.31 -34.48 18.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.635 1.207 . . . . 0.0 111.764 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.79 -38.85 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 124.371 1.069 . . . . 0.0 108.722 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -51.56 -61.13 2.44 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 130.976 3.711 . . . . 0.0 112.603 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.31 -31.55 63.8 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.56 -26.18 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.232 -1.542 . . . . 0.0 110.681 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.543 HG23 HG21 ' B' ' 80' ' ' VAL . 6.3 mt -60.58 -43.21 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 127.142 2.177 . . . . 0.0 113.564 173.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -76.21 -40.83 51.25 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.087 0.47 . . . . 0.0 112.195 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -50.4 -44.03 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.462 1.505 . . . . 0.0 113.625 161.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -29.91 65.01 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.53 0.681 . . . . 0.0 111.617 -175.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.8 p -73.95 -18.28 60.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.266 -2.146 . . . . 0.0 115.597 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 14' ' ' VAL . 4.5 mm -62.4 -48.78 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.574 1.654 . . . . 0.0 110.927 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.403 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 5.2 mp -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.808 -1.182 . . . . 0.0 113.093 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.276 21.9 mt -72.94 -36.67 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 O-C-N 120.879 -1.138 . . . . 0.0 112.261 171.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.51 76.78 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.97 1.708 . . . . 0.0 114.069 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -92.93 1.03 57.51 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.247 -1.533 . . . . 0.0 115.051 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t 71.83 39.39 0.85 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.869 1.318 . . . . 0.0 113.453 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -113.8 38.66 2.89 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.912 2.085 . . . . 0.0 109.476 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -6.33 8.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.69 1.596 . . . . 0.0 114.603 169.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.25 -39.51 90.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.349 2.26 . . . . 0.0 112.31 165.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.3 mt -69.4 -34.91 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.871 1.668 . . . . 0.0 110.244 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -72.66 -32.47 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 O-C-N 120.39 -1.443 . . . . 0.0 113.536 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -24.76 67.02 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.765 2.426 . . . . 0.0 117.398 -166.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.9 133.7 50.62 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 111.309 169.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -48.03 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.717 1.607 . . . . 0.0 112.733 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.7 62.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.273 -2.767 . . . . 0.0 117.031 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -82.65 -35.0 27.28 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.19 -1.569 . . . . 0.0 109.618 171.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -66.89 -49.53 65.32 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.102 2.561 . . . . 0.0 111.109 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.77 -44.3 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 129.321 3.048 . . . . 0.0 112.423 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.88 64.02 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.831 -1.793 . . . . 0.0 111.935 176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -77.44 -33.08 54.9 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.773 -1.204 . . . . 0.0 110.764 170.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.22 -47.08 75.83 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.187 -2.196 . . . . 0.0 111.346 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.95 -15.52 59.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.21 -45.46 66.54 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 120.891 1.678 . . . . 0.0 112.005 165.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.4 pt -88.58 -25.0 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.26 50.01 5.63 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 118.097 1.999 . . . . 0.0 118.097 -173.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -90.33 129.45 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 157.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -119.54 163.72 16.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.714 0.806 . . . . 0.0 110.961 -170.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 20.7 t60 -79.66 -98.53 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 161.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -95.92 59.41 2.0 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.013 -2.304 . . . . 0.0 109.62 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.34 6.53 34.29 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 120.551 -1.343 . . . . 0.0 114.112 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -104.56 148.12 26.85 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.831 2.815 . . . . 0.0 105.47 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.1 135.4 53.54 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.171 -0.956 . . . . 0.0 109.383 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.24 120.86 31.75 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.201 -1.562 . . . . 0.0 110.987 -154.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -82.44 162.0 22.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.555 -0.716 . . . . 0.0 111.571 -167.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.35 -44.76 90.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.238 -1.538 . . . . 0.0 113.341 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -65.55 -47.74 74.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.9 0.88 . . . . 0.0 112.313 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 4.7 m -71.28 -21.93 62.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.618 1.567 . . . . 0.0 115.129 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.23 -55.98 13.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.251 1.5 . . . . 0.0 112.031 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.8 -30.66 70.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.502 1.521 . . . . 0.0 112.807 -175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -66.11 -47.97 72.41 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.082 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.347 31.3 pt -59.01 -48.05 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 120.368 1.44 . . . . 0.0 114.133 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.18 -33.32 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -83.22 -44.87 14.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.38 10.56 8.43 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -166.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.87 149.64 26.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.736 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -89.94 170.93 9.95 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.278 -1.514 . . . . 0.0 108.124 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -57.57 -41.97 82.14 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.533 -1.98 . . . . 0.0 113.641 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.78 -36.82 82.18 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.67 -31.7 68.71 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.655 -1.278 . . . . 0.0 112.615 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -73.62 -54.48 8.05 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.974 1.31 . . . . 0.0 108.937 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.64 -41.59 6.77 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.651 1.581 . . . . 0.0 114.373 168.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -58.61 -43.67 89.7 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.011 0.91 . . . . 0.0 113.225 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.14 -38.71 66.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.08 -1.638 . . . . 0.0 112.576 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -56.64 -47.28 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.058 1.743 . . . . 0.0 113.196 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -65.48 -43.43 90.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 124.928 1.291 . . . . 0.0 114.115 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.78 -36.98 12.01 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.08 58.59 0.61 Allowed 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.574 -1.954 . . . . 0.0 109.517 -172.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -52.68 -66.78 0.33 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.404 1.882 . . . . 0.0 115.313 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -49.77 -61.76 1.94 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.659 1.584 . . . . 0.0 114.864 173.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.23 -57.1 20.04 Favored Glycine 0 N--CA 1.43 -1.729 0 C-N-CA 125.594 1.569 . . . . 0.0 114.974 -170.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' B' ' 80' ' ' VAL . 2.8 t80 -77.15 -29.75 54.7 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 118.455 1.128 . . . . 0.0 111.203 -169.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -53.63 -56.88 13.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.435 1.925 . . . . 0.0 112.846 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.03 -61.0 7.85 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 115.226 0.851 . . . . 0.0 115.226 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.543 HG21 HG23 ' B' ' 12' ' ' ILE . 18.1 m -66.65 -28.18 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 120.221 -1.753 . . . . 0.0 115.046 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -76.34 -14.87 60.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.677 -1.889 . . . . 0.0 112.685 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -64.09 -49.72 71.13 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.287 -2.133 . . . . 0.0 111.252 160.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.41 -61.17 2.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.953 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 69.7 mt -55.57 -34.65 64.97 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.499 1.92 . . . . 0.0 113.81 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.4 -41.8 46.57 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 120.51 1.504 . . . . 0.0 111.779 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 14.3 ptp -71.73 -31.64 66.92 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.897 -1.752 . . . . 0.0 113.122 -172.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.26 -2.34 52.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.141 1.377 . . . . 0.0 111.766 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.354 2.4 t . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 123.391 1.567 . . . . 0.0 110.692 170.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 N--CA 1.43 -1.47 0 CA-C-O 122.336 1.065 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 tt -40.76 -49.44 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 128.762 2.825 . . . . 0.0 116.079 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -54.85 -33.24 61.56 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.733 3.213 . . . . 0.0 113.649 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -95.62 -31.19 13.39 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.721 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 8' ' ' VAL . 6.5 t -57.96 -42.13 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 116.687 -3.758 . . . . 0.0 112.334 169.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.15 8.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 130.451 3.5 . . . . 0.0 113.376 -178.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.93 -23.34 65.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.42 -29.27 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 118.539 -2.601 . . . . 0.0 110.84 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -60.95 -44.35 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.051 2.14 . . . . 0.0 112.089 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 p -60.55 -51.2 70.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 123.116 0.566 . . . . 0.0 111.967 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG13 HD11 ' B' ' 17' ' ' ILE . 3.0 t -48.5 -53.08 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 165.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.47 78.21 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.922 1.82 . . . . 0.0 110.082 -172.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.272 60.4 p -71.21 -12.32 61.4 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 117.65 -3.156 . . . . 0.0 116.113 171.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' B' ' 17' ' ' ILE . 25.5 mm -69.07 -43.75 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-O 123.737 1.732 . . . . 0.0 111.205 164.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.6 mp -69.96 -28.39 65.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 119.247 -2.158 . . . . 0.0 112.079 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.27 8.7 mt -74.85 -42.53 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.868 -1.145 . . . . 0.0 110.382 171.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -37.43 -55.38 1.06 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.035 2.534 . . . . 0.0 115.507 168.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -83.62 3.8 31.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.537 1.935 . . . . 0.0 114.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 3.3 t 60.09 44.09 13.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.158 1.783 . . . . 0.0 115.352 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -115.24 35.06 4.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.843 2.457 . . . . 0.0 110.631 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -61.26 4.98 0.07 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 129.379 3.072 . . . . 0.0 117.6 176.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -78.78 -33.93 45.97 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 127.613 2.365 . . . . 0.0 111.181 173.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.47 -46.88 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-O 122.967 1.365 . . . . 0.0 111.142 171.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.97 -24.6 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.518 1.527 . . . . 0.0 110.713 -172.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 33.3 tt0 -59.68 -23.31 63.0 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -108.59 130.97 55.3 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.399 -2.063 . . . . 0.0 110.168 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -47.48 -55.26 9.44 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.394 2.278 . . . . 0.0 113.613 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.71 -53.24 10.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.625 -2.547 . . . . 0.0 117.235 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -38.97 -42.58 0.88 Allowed 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -63.79 -48.41 77.02 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.693 1.997 . . . . 0.0 113.921 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.25 -43.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 128.756 2.822 . . . . 0.0 114.127 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.63 99.36 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.282 -2.136 . . . . 0.0 113.027 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CZ ' HD21 ' A' ' 18' ' ' LEU 0.301 25.7 t80 -59.1 -41.02 87.1 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.215 2.206 . . . . 0.0 112.909 170.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.05 -48.33 73.61 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.292 -1.505 . . . . 0.0 113.717 169.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -66.98 -36.99 83.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.505 -1.372 . . . . 0.0 113.868 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -55.03 -56.4 20.21 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.829 -1.794 . . . . 0.0 115.376 170.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 pt -83.86 -21.98 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.25 48.53 3.27 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 117.407 1.723 . . . . 0.0 117.407 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.21 132.22 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 120.235 2.017 . . . . 0.0 108.705 166.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -127.67 140.41 52.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.757 -1.215 . . . . 0.0 109.7 -171.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.275 36.7 t60 -74.84 -92.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.152 -1.592 . . . . 0.0 112.426 169.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -92.19 46.26 1.25 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.758 -1.839 . . . . 0.0 109.272 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.7 26.11 66.4 Favored Glycine 0 N--CA 1.431 -1.686 0 O-C-N 118.509 -2.619 . . . . 0.0 117.756 -168.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -131.12 166.46 21.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.452 1.501 . . . . 0.0 107.618 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -72.53 157.8 36.92 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.851 -1.781 . . . . 0.0 110.967 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.71 126.65 48.6 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.116 -1.615 . . . . 0.0 109.189 -170.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -93.23 164.88 13.07 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -169.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -72.54 -43.15 63.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 119.91 -1.744 . . . . 0.0 113.011 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -69.13 -44.96 71.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.376 1.07 . . . . 0.0 113.827 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.1 m -68.1 -24.31 65.02 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.68 -45.35 68.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.02 -2.3 . . . . 0.0 109.897 168.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -63.78 -39.73 94.96 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.253 -1.529 . . . . 0.0 113.706 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.267 26.3 pttt -56.96 -41.29 78.05 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.041 -1.662 . . . . 0.0 115.336 169.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.347 44.2 pt -63.08 -42.55 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 O-C-N 119.772 -1.83 . . . . 0.0 114.722 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.06 -44.05 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -75.81 -53.89 7.78 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.432 8.9 pt-20 -85.75 15.52 4.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.366 2.358 . . . . 0.0 117.366 -168.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -48.48 157.94 0.31 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.161 -1.587 . . . . 0.0 114.399 170.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -83.03 171.54 13.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.871 -1.768 . . . . 0.0 109.291 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -63.82 -48.99 74.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.869 -2.395 . . . . 0.0 113.514 166.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.38 -40.06 73.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.834 1.253 . . . . 0.0 113.772 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.8 -44.03 38.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -85.09 -27.16 26.48 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.341 -1.475 . . . . 0.0 108.614 -172.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.29 -34.6 59.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 107.887 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -60.19 -52.52 64.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.601 1.16 . . . . 0.0 113.27 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.71 -42.62 65.01 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 166.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.76 -44.78 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.216 -2.177 . . . . 0.0 112.575 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -57.69 -30.27 65.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -112.17 -20.76 11.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -122.91 55.44 1.19 Allowed 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.947 -2.345 . . . . 0.0 106.95 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -53.14 -68.09 0.2 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 123.101 1.429 . . . . 0.0 114.848 -160.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.06 -40.75 78.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.35 -51.92 34.59 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 125.478 1.514 . . . . 0.0 114.001 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.8 -34.58 62.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.447 1.123 . . . . 0.0 110.13 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.39 -57.38 3.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.152 -2.217 . . . . 0.0 113.671 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.18 -63.5 4.5 Favored Glycine 0 N--CA 1.431 -1.681 0 O-C-N 120.013 -1.679 . . . . 0.0 114.212 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.97 -24.48 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.51 -2.17 . . . . 0.0 113.731 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.43 -7.24 59.03 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.891 1.678 . . . . 0.0 112.6 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -66.45 -54.89 19.0 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 117.59 -3.194 . . . . 0.0 111.446 153.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.1 m-85 -49.18 -51.95 29.54 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.102 2.161 . . . . 0.0 113.299 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.67 -29.16 64.29 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.093 -2.254 . . . . 0.0 111.676 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.31 -61.07 2.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.255 1.022 . . . . 0.0 111.094 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.29 11.5 ptp -55.78 -50.1 71.38 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -174.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 8.2 m-85 -54.43 -13.53 0.96 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 170.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 3.5 t . . . . . 0 N--CA 1.43 -1.458 0 O-C-N 120.395 -1.44 . . . . 0.0 109.564 168.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 N--CA 1.43 -1.463 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.08 -39.92 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.578 1.951 . . . . 0.0 108.674 -165.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.85 -35.41 57.45 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.351 2.661 . . . . 0.0 112.834 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.411 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -69.87 -55.85 8.64 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.383 1.073 . . . . 0.0 109.53 178.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.62 -40.67 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.144 1.378 . . . . 0.0 112.567 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -50.74 -64.89 0.67 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.852 3.661 . . . . 0.0 114.481 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.298 14.0 pt-20 -63.73 -34.88 78.86 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.38 -26.98 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 119.112 -2.242 . . . . 0.0 113.465 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.37 -57.87 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.341 2.656 . . . . 0.0 112.8 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -59.8 -30.72 69.1 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 128.632 2.773 . . . . 0.0 113.851 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.79 -41.19 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 168.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -36.98 54.78 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 118.506 -2.622 . . . . 0.0 110.612 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.291 86.1 p -61.24 -29.2 69.69 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 169.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 17' ' ' ILE . 24.2 mm -44.93 -56.06 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-N 121.668 2.031 . . . . 0.0 114.222 156.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 23.3 mt -61.88 -41.43 97.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mt -71.73 -22.49 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.044 -2.285 . . . . 0.0 114.361 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.69 76.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.164 -2.21 . . . . 0.0 111.164 169.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -69.68 -30.71 68.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.412 -0.805 . . . . 0.0 113.146 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.308 5.0 t 94.85 44.06 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.389 2.275 . . . . 0.0 111.363 170.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -115.68 58.71 0.73 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.043 2.137 . . . . 0.0 111.067 169.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -64.86 -11.04 33.13 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 177.055 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -39.26 16.07 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.551 2.34 . . . . 0.0 116.783 166.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.12 -34.17 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 119.378 -2.076 . . . . 0.0 111.673 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.6 -35.07 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.087 1.355 . . . . 0.0 110.081 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 79.2 tt0 -54.93 -20.7 9.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.994 2.918 . . . . 0.0 116.657 -177.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -129.91 128.0 41.28 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.259 -2.15 . . . . 0.0 107.662 173.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -50.25 -45.81 54.45 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.226 1.41 . . . . 0.0 113.395 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -54.93 39.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -53.67 -32.09 50.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -68.97 -51.43 39.56 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.19 1.396 . . . . 0.0 113.163 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' B' ' 51' ' ' GLN . 52.8 mt -54.89 -38.62 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 129.229 3.012 . . . . 0.0 113.2 172.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.1 -57.59 12.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.455 1.502 . . . . 0.0 110.746 173.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 28.3 t80 -47.55 -42.42 23.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.565 1.546 . . . . 0.0 114.849 166.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -33.47 74.19 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.434 -2.041 . . . . 0.0 114.395 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -76.97 -28.1 55.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.986 -1.696 . . . . 0.0 113.246 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.59 -54.81 12.25 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.182 -1.574 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 16.5 pt -80.07 -18.7 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 111.362 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.79 10.45 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 118.966 2.346 . . . . 0.0 118.966 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.82 107.22 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 CA-C-N 123.167 3.483 . . . . 0.0 108.992 167.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.3 p -109.84 113.61 26.48 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -65.54 -62.79 1.32 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -170.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.01 44.06 1.19 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.789 -1.819 . . . . 0.0 110.776 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.62 9.81 82.54 Favored Glycine 0 N--CA 1.431 -1.654 0 N-CA-C 114.854 0.702 . . . . 0.0 114.854 -169.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -117.45 144.06 45.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.424 1.49 . . . . 0.0 108.424 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -77.85 162.41 26.89 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.112 -1.618 . . . . 0.0 112.213 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.6 128.96 38.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 114.13 -167.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -92.52 160.59 14.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.088 1.755 . . . . 0.0 108.827 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' B' ' 34' ' ' ILE . 26.3 mt-30 -70.12 -42.88 72.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.985 -1.697 . . . . 0.0 114.506 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -66.33 -40.36 89.83 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -73.22 -25.93 60.94 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.64 1.576 . . . . 0.0 111.858 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -71.8 -43.14 66.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.171 0.988 . . . . 0.0 109.41 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -68.12 -34.06 75.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.181 -1.575 . . . . 0.0 112.248 -176.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.272 28.4 pttt -65.88 -45.33 82.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 171.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 7' ' ' THR . 28.7 pt -55.15 -37.22 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 m -83.28 -38.51 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -89.33 -40.98 12.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.3 9.85 27.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.198 1.817 . . . . 0.0 112.938 -163.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.91 152.54 7.29 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.14 2.576 . . . . 0.0 112.427 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.7 p -82.01 171.77 14.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -69.3 -41.37 76.88 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.472 -1.392 . . . . 0.0 111.352 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.62 -47.56 40.07 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 127.567 2.347 . . . . 0.0 115.129 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.05 -34.6 70.27 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.376 1.56 . . . . 0.0 113.978 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -83.34 -42.13 17.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.163 -1.586 . . . . 0.0 110.196 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -55.0 -39.14 68.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.307 -1.496 . . . . 0.0 113.277 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.6 m -58.71 -40.53 83.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.127 1.442 . . . . 0.0 114.051 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.25 -38.91 65.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.163 -2.211 . . . . 0.0 110.319 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.45 -43.68 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.941 -1.724 . . . . 0.0 114.851 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -71.81 -36.55 70.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.64 -1.912 . . . . 0.0 116.145 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -85.6 -35.39 21.03 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.577 -1.327 . . . . 0.0 114.249 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.32 66.26 0.88 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.013 -2.304 . . . . 0.0 110.249 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -53.76 -65.74 0.51 Allowed 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.554 1.168 . . . . 0.0 113.163 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.82 -49.76 75.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.634 1.573 . . . . 0.0 113.561 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.05 23.3 Favored Glycine 0 N--CA 1.43 -1.713 0 O-C-N 120.275 -1.516 . . . . 0.0 115.612 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.287 4.5 t80 -68.92 -40.58 79.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 119.252 1.526 . . . . 0.0 109.17 -173.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -44.56 -56.51 4.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.927 2.149 . . . . 0.0 116.03 167.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -70.02 1.13 Allowed Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 115.688 1.035 . . . . 0.0 115.688 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -28.58 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.007 -2.467 . . . . 0.0 114.355 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . 0.252 24.5 t80 -64.77 -41.27 95.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 122.577 2.444 . . . . 0.0 115.192 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -45.16 -51.52 10.37 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 162.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -71.14 -46.9 60.6 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.621 -0.675 . . . . 0.0 110.449 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.72 -47.67 85.24 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.407 1.483 . . . . 0.0 112.119 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.04 -59.39 3.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.188 1.358 . . . . 0.0 114.503 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.376 9.8 ptp -44.37 -35.83 2.56 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 120.231 3.419 . . . . 0.0 120.231 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-85 -85.12 -3.76 58.91 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.768 -1.832 . . . . 0.0 112.75 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.303 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.454 0 CA-C-O 123.771 1.748 . . . . 0.0 107.472 171.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -45.34 -47.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.078 2.151 . . . . 0.0 115.566 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -68.13 -10.82 57.03 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.559 1.944 . . . . 0.0 113.707 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -46.65 8.36 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.638 1.575 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 8' ' ' VAL . 3.0 t -59.79 -47.22 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.087 1.755 . . . . 0.0 109.469 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -39.67 -68.22 0.18 Allowed 'General case' 0 N--CA 1.429 -1.511 1 C-N-CA 132.493 4.317 . . . . 0.0 114.529 169.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -67.38 -26.64 66.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.484 -2.01 . . . . 0.0 114.025 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.09 -35.67 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.6 -1.938 . . . . 0.0 111.077 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mt -55.49 -33.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 129.301 3.041 . . . . 0.0 116.318 170.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -81.95 -31.25 31.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.282 -0.887 . . . . 0.0 110.438 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -61.83 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.417 2.287 . . . . 0.0 114.009 164.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.0 97.78 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.337 -2.102 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 p -68.29 -13.63 62.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.558 HG21 HG21 ' B' ' 17' ' ' ILE . 50.0 mm -62.48 -53.99 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.67 -1.269 . . . . 0.0 110.898 163.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.14 -33.93 75.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.778 -1.201 . . . . 0.0 112.823 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.0 mt -79.29 -20.91 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.901 -1.124 . . . . 0.0 112.576 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.7 -40.44 96.79 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.486 -1.384 . . . . 0.0 110.999 164.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.07 3.27 52.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.337 1.455 . . . . 0.0 113.477 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 59.46 32.47 21.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.51 2.324 . . . . 0.0 116.408 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -103.64 39.43 1.6 Allowed 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 127.562 2.345 . . . . 0.0 112.083 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.366 0.0 OUTLIER -61.71 -17.47 55.85 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -37.24 -43.23 0.51 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.258 2.223 . . . . 0.0 116.651 165.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.22 -49.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.906 1.682 . . . . 0.0 112.329 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -61.13 -39.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 126.916 2.086 . . . . 0.0 111.879 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -63.11 -18.77 63.78 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.485 2.314 . . . . 0.0 116.131 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -114.09 115.12 27.04 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.253 -2.154 . . . . 0.0 110.297 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 88' ' ' THR . 6.7 ttp-105 -33.66 -63.86 0.24 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 129.355 3.062 . . . . 0.0 114.531 172.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.17 -15.0 59.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 118.417 2.747 . . . . 0.0 118.417 -175.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -86.34 -36.53 19.19 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -56.6 -53.67 54.96 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.549 2.34 . . . . 0.0 112.484 170.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 54' ' ' PHE . 40.3 mt -53.44 -42.7 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.284 2.233 . . . . 0.0 115.455 172.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.99 -25.18 65.29 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.73 -1.856 . . . . 0.0 115.204 172.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -73.93 -41.58 61.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 109.877 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.92 -39.36 71.55 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.905 1.682 . . . . 0.0 113.462 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -77.42 -14.19 59.76 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.954 -1.716 . . . . 0.0 115.431 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -78.01 -53.45 7.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 120.079 1.309 . . . . 0.0 112.055 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -6.8 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.062 -1.024 . . . . 0.0 112.705 -173.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.28 49.11 5.67 Favored Glycine 0 N--CA 1.43 -1.708 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.11 109.79 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 119.507 1.653 . . . . 0.0 108.827 172.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -104.04 132.09 50.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.445 -0.784 . . . . 0.0 110.73 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.276 2.0 t60 -71.56 -95.07 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.695 -1.253 . . . . 0.0 113.635 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -88.06 47.59 1.52 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.554 -1.966 . . . . 0.0 111.313 -173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.68 6.42 77.23 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -122.54 152.88 39.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.79 146.01 34.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.376 1.444 . . . . 0.0 110.269 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.12 134.79 34.24 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.093 -1.629 . . . . 0.0 111.803 -151.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.01 157.67 17.14 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.732 -1.23 . . . . 0.0 111.548 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.37 -41.22 94.02 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.444 -1.41 . . . . 0.0 113.986 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -67.98 -53.49 25.7 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.573 1.149 . . . . 0.0 113.08 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.6 m -59.29 -24.92 63.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD2' HD11 ' A' ' 34' ' ' ILE . 52.3 t80 -60.22 -48.95 79.55 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.958 1.837 . . . . 0.0 112.723 168.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -68.06 -30.05 69.16 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.725 -1.234 . . . . 0.0 112.317 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -68.92 -45.22 71.4 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.62 -1.3 . . . . 0.0 113.825 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 24.1 pt -58.76 -48.37 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 119.69 -1.881 . . . . 0.0 113.296 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.81 -31.49 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -88.0 -51.81 5.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 6.5 pt-20 -91.53 11.11 25.18 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 119.523 -1.985 . . . . 0.0 114.741 -164.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.3 mt -37.75 145.62 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.505 -1.372 . . . . 0.0 114.024 160.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.3 p -75.37 174.23 9.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.758 -1.839 . . . . 0.0 110.796 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -65.01 -40.33 94.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.854 -1.778 . . . . 0.0 110.964 171.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -57.37 -50.29 73.46 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -58.36 -34.7 70.97 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.964 1.705 . . . . 0.0 114.968 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.45 -46.32 49.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.4 -31.26 71.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.257 -2.152 . . . . 0.0 113.074 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.0 m -61.09 -41.23 96.29 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.593 1.557 . . . . 0.0 113.672 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.55 -32.15 62.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.16 -1.588 . . . . 0.0 111.639 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.21 -28.24 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.186 1.795 . . . . 0.0 113.891 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -66.63 -48.8 68.29 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.834 -1.791 . . . . 0.0 114.554 172.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -89.93 -53.52 4.45 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -174.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -86.89 62.1 7.2 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.809 2.844 . . . . 0.0 112.567 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -57.56 -64.84 0.76 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.907 1.283 . . . . 0.0 114.048 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.98 -55.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.048 1.739 . . . . 0.0 112.769 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.74 -57.42 16.27 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -174.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.273 0.5 OUTLIER -78.64 -30.12 46.23 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 119.171 1.486 . . . . 0.0 110.606 -169.272 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.27 -50.04 68.18 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.221 2.282 . . . . 0.0 113.018 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.52 -70.95 0.85 Allowed Glycine 0 N--CA 1.431 -1.689 0 O-C-N 120.107 -1.62 . . . . 0.0 114.267 170.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.18 -19.29 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.252 -2.322 . . . . 0.0 115.241 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -83.04 -15.86 49.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.022 -1.674 . . . . 0.0 112.814 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -70.01 -37.74 75.74 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 123.408 2.822 . . . . 0.0 111.74 163.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.26 -62.24 1.66 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.159 2.184 . . . . 0.0 107.424 -174.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.0 mt -56.36 -28.85 60.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.06 -41.64 70.48 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.102 -1.624 . . . . 0.0 113.613 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -86.05 -23.3 26.81 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.59 -1.319 . . . . 0.0 114.376 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.4 m-30 -78.26 -1.02 30.98 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.762 -1.211 . . . . 0.0 113.795 -171.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 30' ' ' ARG 0.28 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.478 0 C-N-CA 124.695 1.198 . . . . 0.0 107.955 169.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 N--CA 1.43 -1.446 0 CA-C-O 121.81 0.814 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 tt -71.05 -41.29 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.52 0 C-N-CA 128.894 2.878 . . . . 0.0 115.95 -163.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.03 -32.14 65.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.839 2.056 . . . . 0.0 113.438 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -59.55 3.5 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 125.641 1.577 . . . . 0.0 108.752 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.0 t -51.21 -35.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 C-N-CA 126.638 1.975 . . . . 0.0 113.485 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -59.13 -62.23 2.04 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 128.852 2.861 . . . . 0.0 112.094 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.98 -39.63 92.83 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 121.032 -1.042 . . . . 0.0 113.73 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -71.31 -23.5 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.344 -1.472 . . . . 0.0 113.003 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.657 HG23 HG21 ' B' ' 80' ' ' VAL . 7.8 mt -60.43 -52.51 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 118.982 -2.324 . . . . 0.0 110.841 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -26.29 66.34 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.459 1.504 . . . . 0.0 114.869 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 17' ' ' ILE . 2.3 t -69.44 -42.61 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.784 -1.197 . . . . 0.0 111.426 167.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.09 73.25 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.816 -2.428 . . . . 0.0 113.332 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -60.68 -26.72 67.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.579 HD11 HG13 ' A' ' 14' ' ' VAL . 1.1 mm -60.71 -46.82 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 125.208 1.403 . . . . 0.0 113.601 166.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 1.5 mm? -55.73 -42.93 76.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.48 -1.387 . . . . 0.0 113.118 172.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.94 -36.43 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 124.642 1.177 . . . . 0.0 112.351 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -51.21 -45.51 61.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.267 -2.146 . . . . 0.0 113.798 166.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -84.78 7.89 19.1 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 52.97 35.82 20.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.419 2.688 . . . . 0.0 114.89 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.34 50.95 0.77 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.395 1.878 . . . . 0.0 110.228 173.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -16.51 63.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -70.88 -15.56 62.63 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.203 -1.561 . . . . 0.0 115.102 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.47 -52.78 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.639 -1.913 . . . . 0.0 110.133 166.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -53.99 -39.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.805 2.442 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.4 tm-20 -52.28 -18.57 1.61 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 129.985 3.314 . . . . 0.0 117.613 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -117.51 110.06 17.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.877 -1.764 . . . . 0.0 110.166 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -34.15 -62.31 0.33 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 130.357 3.463 . . . . 0.0 113.991 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.11 96.12 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.56 -33.01 74.65 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.499 -2.001 . . . . 0.0 114.074 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.14 -51.13 65.35 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.89 1.676 . . . . 0.0 111.84 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.42 -40.69 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 131.591 3.956 . . . . 0.0 113.511 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -50.6 70.68 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.513 1.149 . . . . 0.0 109.975 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 8.6 t80 -58.04 -37.19 73.91 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.051 2.14 . . . . 0.0 114.451 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.86 -40.65 80.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.489 -2.007 . . . . 0.0 113.155 173.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -73.68 -18.81 60.97 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.953 -1.092 . . . . 0.0 113.836 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -72.79 -54.87 7.71 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.349 1.06 . . . . 0.0 113.03 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.575 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -88.68 -12.3 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 120.058 -1.651 . . . . 0.0 112.828 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.47 32.11 6.8 Favored Glycine 0 N--CA 1.43 -1.739 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.575 HG23 HD11 ' B' ' 40' ' ' ILE 0.327 26.5 t -71.58 102.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.142 1.449 . . . . 0.0 110.342 167.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -106.71 130.02 54.51 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.458 1.503 . . . . 0.0 109.249 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.45 -89.9 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -79.83 27.45 0.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.293 -2.129 . . . . 0.0 113.601 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.21 -4.62 80.4 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.117 -1.614 . . . . 0.0 113.423 -154.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -101.77 151.28 22.24 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.682 1.193 . . . . 0.0 110.659 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -73.82 143.43 45.94 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.955 0.883 . . . . 0.0 110.677 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.97 126.42 37.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.342 -1.474 . . . . 0.0 113.304 -160.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -94.9 158.29 15.55 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.063 1.745 . . . . 0.0 112.602 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.64 -37.32 70.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.0 -46.09 68.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.522 -1.361 . . . . 0.0 113.256 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -71.14 -17.12 62.57 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.709 -1.245 . . . . 0.0 113.79 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.422 ' HA ' HG12 ' B' ' 57' ' ' ILE . 86.0 t80 -68.28 -47.42 67.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.773 1.749 . . . . 0.0 111.498 168.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -70.89 -23.2 62.24 Favored 'General case' 0 N--CA 1.429 -1.519 0 O-C-N 119.659 -1.901 . . . . 0.0 111.289 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.23 -40.3 59.2 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 118.973 -2.329 . . . . 0.0 116.143 166.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 54' ' ' PHE 0.306 22.5 pt -56.56 -43.75 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.452 -2.03 . . . . 0.0 115.322 175.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.96 -50.12 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -73.35 -55.56 6.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.563 -1.961 . . . . 0.0 116.031 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.13 18.27 2.63 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -165.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.48 150.12 12.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.912 1.685 . . . . 0.0 112.6 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 48.3 p -82.08 170.06 15.95 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.973 -1.704 . . . . 0.0 110.75 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -56.85 -46.44 81.76 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.982 -1.074 . . . . 0.0 112.167 169.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -34.52 78.48 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.02 -39.12 89.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.839 -1.163 . . . . 0.0 112.448 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.93 -46.03 54.82 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.043 -1.661 . . . . 0.0 111.129 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -33.33 65.97 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.406 1.082 . . . . 0.0 113.154 168.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -60.71 -44.92 95.99 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.431 -0.793 . . . . 0.0 112.439 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.04 -41.95 76.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.549 -1.345 . . . . 0.0 111.689 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.52 -44.21 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.539 1.935 . . . . 0.0 114.631 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.41 -33.98 77.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.76 -1.838 . . . . 0.0 115.138 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -92.17 -28.34 17.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.062 -1.649 . . . . 0.0 113.633 -174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.63 79.98 1.94 Allowed 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.831 1.652 . . . . 0.0 109.627 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -59.07 -72.29 0.1 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.096 1.358 . . . . 0.0 113.969 -170.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.6 -30.38 56.94 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.349 2.259 . . . . 0.0 110.675 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . 0.51 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -66.9 -62.36 4.56 Favored Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 126.109 1.814 . . . . 0.0 112.279 -172.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.317 0.7 OUTLIER -67.1 -41.4 86.34 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.282 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -36.14 -63.99 0.35 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 117.943 2.571 . . . . 0.0 117.943 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.89 -57.75 7.53 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-O 121.931 0.74 . . . . 0.0 112.93 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.657 HG21 HG23 ' B' ' 12' ' ' ILE . 13.7 m -64.98 -24.95 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.411 -2.817 . . . . 0.0 116.237 -171.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -77.15 -21.73 53.65 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.474 -1.392 . . . . 0.0 112.763 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.07 -41.68 97.08 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.177 -1.577 . . . . 0.0 113.18 163.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.4 -49.1 58.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.866 1.666 . . . . 0.0 108.048 -173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.85 -41.93 92.51 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.58 -1.325 . . . . 0.0 113.19 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.63 -36.71 84.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.935 -1.728 . . . . 0.0 115.4 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -83.21 -18.06 40.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.1 -1.625 . . . . 0.0 114.659 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.6 m-85 -89.51 -14.2 35.75 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 122.769 1.271 . . . . 0.0 108.875 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.429 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 170.175 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.7 tt -42.11 -53.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 -161.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -40.96 98.76 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 125.872 1.669 . . . . 0.0 113.814 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.6 m -55.03 -39.7 69.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.989 -2.32 . . . . 0.0 115.9 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.47 -48.85 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.751 -1.843 . . . . 0.0 111.474 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -42.38 -58.61 2.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 130.693 3.597 . . . . 0.0 115.248 170.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.53 -33.82 73.35 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.298 25.0 mt -66.34 -33.63 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 119.164 -2.21 . . . . 0.0 112.804 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.99 -43.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.498 -2.626 . . . . 0.0 114.951 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -67.39 -43.13 82.1 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 112.107 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.584 HG13 HD11 ' B' ' 17' ' ' ILE . 3.7 t -53.24 -46.05 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.023 2.129 . . . . 0.0 115.581 168.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.09 95.59 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 121.041 -1.037 . . . . 0.0 112.271 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -14.7 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' B' ' 17' ' ' ILE . 11.0 mm -64.21 -52.54 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.974 -1.704 . . . . 0.0 111.465 167.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.44 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 1.8 mp -57.58 -38.9 75.64 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.772 -1.205 . . . . 0.0 111.406 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -72.44 -30.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.998 1.319 . . . . 0.0 111.766 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -60.87 -39.24 88.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.253 1.421 . . . . 0.0 112.458 170.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 3.82 51.1 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.961 2.104 . . . . 0.0 116.137 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 t 59.0 34.02 23.35 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.167 -2.208 . . . . 0.0 116.528 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -101.47 40.76 1.26 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 128.696 2.798 . . . . 0.0 111.572 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.42 0.0 OUTLIER -62.42 -23.3 66.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 176.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -33.87 -54.36 0.47 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 119.373 3.101 . . . . 0.0 119.373 159.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.1 -38.12 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.069 -1.644 . . . . 0.0 111.279 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -69.68 -36.58 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.046 1.338 . . . . 0.0 110.919 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 29.4 tt0 -61.71 -3.24 1.02 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.989 2.916 . . . . 0.0 118.003 -169.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -147.5 133.69 19.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.193 -2.192 . . . . 0.0 110.389 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -51.73 15.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.1 -14.73 60.6 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 118.78 -2.45 . . . . 0.0 116.68 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -80.01 -41.22 26.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -60.85 -53.03 62.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.452 1.101 . . . . 0.0 113.95 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 51' ' ' GLN . 45.0 mt -51.88 -46.04 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.313 2.245 . . . . 0.0 115.29 173.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.14 64.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.468 -2.02 . . . . 0.0 114.268 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 1.8 t80 -72.78 -43.52 62.7 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.257 1.423 . . . . 0.0 109.097 173.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.84 -50.98 67.29 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.137 1.375 . . . . 0.0 113.724 172.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.96 -38.29 90.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.131 -1.605 . . . . 0.0 115.32 173.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -50.24 -58.66 5.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 pt -75.69 -19.55 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.48 46.98 4.46 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.13 127.44 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 119.145 1.473 . . . . 0.0 109.031 166.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.0 p -108.43 153.66 22.98 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -78.75 -102.01 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.813 -1.179 . . . . 0.0 113.107 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.03 57.98 1.53 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.296 -1.502 . . . . 0.0 108.334 -169.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.21 2.22 39.28 Favored Glycine 0 N--CA 1.429 -1.789 0 N-CA-C 117.349 1.7 . . . . 0.0 117.349 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -124.72 159.07 31.72 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 119.481 1.64 . . . . 0.0 108.139 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -71.07 152.9 43.03 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 123.688 0.795 . . . . 0.0 110.863 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.55 129.59 45.72 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.103 -0.998 . . . . 0.0 109.522 -158.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -100.85 176.31 5.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 125.497 1.519 . . . . 0.0 112.467 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG2' HG21 ' A' ' 34' ' ' ILE . 17.3 mt-30 -79.14 -42.26 26.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.887 -1.758 . . . . 0.0 112.797 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -64.25 -49.97 69.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.905 -1.122 . . . . 0.0 111.813 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 48.3 m -61.84 -23.23 66.13 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.06 -47.96 59.78 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.722 1.249 . . . . 0.0 109.378 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -32.05 73.13 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.57 -1.331 . . . . 0.0 112.174 -174.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.262 0.1 OUTLIER -63.39 -40.34 96.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 168.746 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.345 11.8 pt -58.72 -49.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.63 -25.18 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 m -80.39 -61.84 1.86 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 172.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.267 13.3 pt-20 -82.73 10.82 6.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.871 2.578 . . . . 0.0 114.96 -156.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.5 mt -44.58 146.05 0.79 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.61 1.964 . . . . 0.0 113.901 170.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 p -82.61 175.22 10.34 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.2 -40.61 71.05 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.789 -1.819 . . . . 0.0 108.764 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.64 -30.01 69.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.05 1.34 . . . . 0.0 114.482 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -70.57 -37.8 74.0 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 122.818 1.294 . . . . 0.0 110.701 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.83 -37.8 23.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.805 -1.809 . . . . 0.0 107.386 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -34.07 76.6 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.051 1.34 . . . . 0.0 109.574 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.52 -37.34 82.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 119.222 0.919 . . . . 0.0 112.219 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.13 -25.23 42.96 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.794 -1.191 . . . . 0.0 111.43 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.01 -43.42 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.083 -1.636 . . . . 0.0 111.028 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -65.51 -36.74 84.72 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.601 -1.312 . . . . 0.0 113.567 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -80.26 -30.12 38.42 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.837 -1.164 . . . . 0.0 113.141 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.46 78.85 1.75 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 121.7 2.046 . . . . 0.0 106.079 -165.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -57.19 -69.52 0.16 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.111 -0.993 . . . . 0.0 112.914 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.99 -46.44 84.56 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.946 -1.096 . . . . 0.0 112.891 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.56 -63.56 5.17 Favored Glycine 0 N--CA 1.431 -1.687 0 C-N-CA 125.491 1.52 . . . . 0.0 114.663 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -77.24 -30.11 54.38 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.284 -166.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.16 -52.97 48.58 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 120.568 1.531 . . . . 0.0 114.224 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.95 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 123.374 0.511 . . . . 0.0 113.72 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.96 -24.39 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.721 -2.046 . . . . 0.0 114.74 -169.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -74.19 -28.79 61.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.348 -1.47 . . . . 0.0 114.722 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -58.2 -40.9 82.78 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.652 2.478 . . . . 0.0 116.031 164.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.02 -58.66 4.14 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.46 -38.52 74.6 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.633 -1.292 . . . . 0.0 114.309 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.91 -58.74 4.4 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 119.257 0.935 . . . . 0.0 113.455 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.93 -28.7 70.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.2 m-30 -76.5 -1.23 26.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.245 -1.534 . . . . 0.0 112.307 -172.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.251 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.437 0 C-N-CA 125.074 1.349 . . . . 0.0 110.129 171.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -69.64 -36.57 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.714 2.406 . . . . 0.0 111.577 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -40.86 73.35 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.229 -1.35 . . . . 0.0 113.775 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -75.47 -41.5 55.41 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 123.175 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.3 t -53.51 -41.61 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 120.203 -1.561 . . . . 0.0 114.286 170.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.81 -50.11 74.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.445 2.298 . . . . 0.0 112.746 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -70.32 -36.69 74.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -73.3 -25.16 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 118.963 -2.336 . . . . 0.0 114.309 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.2 mt -53.88 -59.84 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.92 -2.363 . . . . 0.0 112.759 168.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -60.75 -38.18 84.31 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.62 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -58.47 -43.59 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.996 1.718 . . . . 0.0 113.807 169.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.37 -34.88 65.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.835 -2.416 . . . . 0.0 112.822 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.309 52.2 p -62.17 -24.08 66.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 167.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' A' ' 17' ' ' ILE . 4.2 mm -58.94 -49.61 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.286 1.435 . . . . 0.0 112.874 167.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.79 -41.84 87.62 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -37.34 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.55 -2.594 . . . . 0.0 114.466 169.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -50.23 -41.65 50.4 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.121 -2.237 . . . . 0.0 115.395 168.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -91.83 11.11 25.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.11 -1.619 . . . . 0.0 113.582 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.274 2.3 t 52.64 49.43 20.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 127.058 2.143 . . . . 0.0 115.039 -174.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -125.2 40.58 3.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.544 1.938 . . . . 0.0 108.937 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -15.84 62.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.549 -1.345 . . . . 0.0 113.303 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.15 -36.44 1.18 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 131.587 3.955 . . . . 0.0 116.947 162.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mt -68.01 -39.96 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-O 122.797 1.284 . . . . 0.0 111.432 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.51 -34.63 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.255 1.822 . . . . 0.0 113.495 -165.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 12.3 pt-20 -54.75 -20.26 8.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.554 3.539 . . . . 0.0 120.554 -172.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -117.51 133.46 55.94 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.442 -1.411 . . . . 0.0 107.911 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' HB ' ' B' ' 88' ' ' THR . 38.0 mtm-85 -49.61 -52.42 30.5 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 123.491 1.615 . . . . 0.0 113.396 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.03 90.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -169.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -56.33 -37.73 70.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.78 -51.4 65.0 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.607 1.163 . . . . 0.0 112.932 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.83 -36.1 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 129.085 2.954 . . . . 0.0 111.542 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.29 69.52 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.093 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.68 -41.52 66.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 165.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.04 -32.28 69.6 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.138 -2.226 . . . . 0.0 114.97 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.85 -38.67 61.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.061 -2.274 . . . . 0.0 111.788 171.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -64.21 -42.4 96.62 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.726 2.411 . . . . 0.0 113.779 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 pt -90.71 -23.27 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 111.955 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.58 53.86 4.19 Favored Glycine 0 N--CA 1.43 -1.705 0 CA-C-O 116.834 -2.092 . . . . 0.0 116.829 -173.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.82 125.71 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 1 CA-C-N 124.379 4.09 . . . . 0.0 105.763 164.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -107.14 158.12 17.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.581 -1.324 . . . . 0.0 110.586 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -73.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.469 -1.394 . . . . 0.0 110.984 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -94.89 48.68 1.2 Allowed 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.67 -1.894 . . . . 0.0 110.012 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.92 12.53 75.11 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 117.009 1.563 . . . . 0.0 117.009 -167.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -127.35 152.14 47.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.452 -1.616 . . . . 0.0 110.331 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -66.26 144.26 56.71 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 111.614 -168.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 128.98 34.91 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.18 1.467 . . . . 0.0 114.629 -168.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -98.21 158.71 15.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.687 1.595 . . . . 0.0 109.491 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -72.59 -36.02 68.05 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.778 -1.201 . . . . 0.0 113.712 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -72.28 -41.35 66.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.278 1.431 . . . . 0.0 113.569 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -78.68 -20.49 50.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.363 -1.461 . . . . 0.0 112.176 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.87 -47.78 81.88 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 124.236 1.969 . . . . 0.0 110.862 164.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.57 -28.41 64.87 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.714 -1.241 . . . . 0.0 112.617 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.31 14.7 ptpt -58.74 -51.72 68.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 159.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.266 14.0 pt -60.42 -42.0 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.993 -1.692 . . . . 0.0 114.128 -171.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 -31.45 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -74.38 -55.74 5.65 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.92 0.79 12.32 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -158.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.81 132.55 52.65 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.366 1.466 . . . . 0.0 113.679 172.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.5 p -79.87 171.96 14.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.936 -1.103 . . . . 0.0 110.11 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -58.2 -39.41 78.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.849 -1.157 . . . . 0.0 112.636 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.45 -37.84 88.92 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -71.11 -35.19 71.68 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.416 -2.052 . . . . 0.0 112.527 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.69 -41.34 68.77 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.791 -1.818 . . . . 0.0 110.806 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' B' ' 67' ' ' LYS . 3.3 mmmp? -54.68 -34.38 62.21 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 165.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.5 m -63.08 -48.7 77.53 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.633 0.73 . . . . 0.0 111.676 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.86 -43.65 92.29 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.681 -1.887 . . . . 0.0 114.021 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.19 -33.71 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.301 1.84 . . . . 0.0 114.921 172.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.57 -33.75 73.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.269 -1.519 . . . . 0.0 113.718 172.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -100.85 -29.49 12.21 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.62 -1.3 . . . . 0.0 112.608 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.33 80.15 1.92 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.93 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.9 -70.01 0.28 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.973 0.909 . . . . 0.0 112.391 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.71 -55.02 38.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.252 -1.53 . . . . 0.0 112.159 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.57 -67.21 0.74 Allowed Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 121.63 3.412 . . . . 0.0 121.63 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -31.78 44.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.692 -1.476 . . . . 0.0 109.612 -169.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -58.7 -48.26 81.75 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 120.04 1.291 . . . . 0.0 112.093 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -70.85 0.92 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 171.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.266 0.0 OUTLIER -66.99 -19.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 119.101 -2.411 . . . . 0.0 116.961 -172.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.18 -23.49 61.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 120.721 1.6 . . . . 0.0 113.839 170.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -61.4 -50.31 73.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.432 -2.043 . . . . 0.0 112.208 165.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -62.33 -54.64 37.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.481 1.512 . . . . 0.0 110.31 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -48.59 -42.49 34.06 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.758 1.623 . . . . 0.0 114.444 173.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.53 -41.99 65.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.959 -1.088 . . . . 0.0 110.505 -172.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -81.27 -18.07 47.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.443 -1.41 . . . . 0.0 113.532 -173.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.438 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 23.1 m-85 -89.96 -6.79 55.3 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 109.553 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' B' ' 30' ' ' ARG 0.299 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.219 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 tt -37.34 -37.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 C-N-CA 129.978 3.311 . . . . 0.0 118.185 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -67.46 -43.94 79.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 100.0 m -70.46 -43.3 70.13 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.53 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.31 -39.91 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 121.448 1.931 . . . . 0.0 108.267 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.1 ttt180 -64.33 -37.58 88.0 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 120.746 3.609 . . . . 0.0 120.746 171.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.65 -31.94 70.33 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.746 1.612 . . . . 0.0 110.895 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.46 -24.02 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 120.392 -1.442 . . . . 0.0 114.813 171.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 9' ' ' ARG . 13.6 mt -64.49 -42.68 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-N 119.897 1.226 . . . . 0.0 112.535 175.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.8 p -64.29 -52.99 55.84 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.949 -1.094 . . . . 0.0 111.844 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG13 HD11 ' B' ' 17' ' ' ILE . 9.4 t -45.67 -50.37 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.729 2.412 . . . . 0.0 115.641 170.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.65 78.79 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.733 -2.479 . . . . 0.0 113.805 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 p -69.69 -18.94 63.59 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.615 HD11 HG13 ' B' ' 14' ' ' VAL . 36.7 mm -61.42 -53.37 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.999 1.319 . . . . 0.0 110.944 168.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.39 -43.71 83.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.074 0.95 . . . . 0.0 111.863 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.6 mt -68.28 -32.16 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 121.359 -0.838 . . . . 0.0 113.142 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.45 78.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.021 -1.674 . . . . 0.0 113.106 169.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.51 7.84 36.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.539 1.536 . . . . 0.0 113.402 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 62.04 28.25 17.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -97.92 44.15 1.05 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 128.196 2.598 . . . . 0.0 112.421 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -65.7 -18.22 65.17 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -52.73 -30.34 31.98 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 168.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 mt -72.85 -49.15 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 125.316 1.447 . . . . 0.0 110.717 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.22 -43.93 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 125.958 1.703 . . . . 0.0 113.507 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.9 tm-20 -51.11 -17.4 0.64 Allowed 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 129.585 3.154 . . . . 0.0 118.782 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.78 123.11 39.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.215 -2.178 . . . . 0.0 110.307 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -40.4 -46.91 2.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 170.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -27.12 22.14 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 118.901 -2.374 . . . . 0.0 111.751 -167.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.71 -35.27 70.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.165 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -67.17 -50.42 61.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.611 1.164 . . . . 0.0 110.893 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -54.82 -41.48 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.95 2.1 . . . . 0.0 113.542 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.5 84.03 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 113.89 -3.124 . . . . 0.0 115.045 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -54.99 -37.57 66.73 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 128.01 2.524 . . . . 0.0 114.563 166.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.6 mt -54.29 -43.98 71.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.449 -2.657 . . . . 0.0 114.47 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -75.22 -14.79 60.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.39 -50.6 17.91 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.767 1.227 . . . . 0.0 113.673 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -95.44 -12.04 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.264 -1.523 . . . . 0.0 112.76 -170.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.9 30.68 7.38 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 126.787 2.137 . . . . 0.0 115.586 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 HD11 ' A' ' 40' ' ' ILE . 77.0 t -70.82 113.15 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 118.448 1.124 . . . . 0.0 110.078 166.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -108.7 160.76 15.69 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.343 1.857 . . . . 0.0 108.3 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.267 9.3 t60 -83.47 -97.59 0.05 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.341 -1.474 . . . . 0.0 112.468 170.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.14 51.51 2.06 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.705 -1.872 . . . . 0.0 110.508 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.77 3.11 54.07 Favored Glycine 0 N--CA 1.431 -1.687 0 O-C-N 119.822 -1.799 . . . . 0.0 117.53 -172.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -114.62 150.98 34.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.825 1.65 . . . . 0.0 109.22 -176.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.43 129.72 41.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.751 1.621 . . . . 0.0 113.08 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.98 126.5 31.12 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.297 1.039 . . . . 0.0 113.048 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.11 161.8 13.37 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.875 1.27 . . . . 0.0 112.839 -167.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.47 -39.96 73.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.997 -1.689 . . . . 0.0 113.157 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -77.18 -36.59 54.92 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 121.203 -0.935 . . . . 0.0 112.707 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -88.08 -13.93 40.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 123.814 0.845 . . . . 0.0 111.602 -174.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.01 -51.55 66.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.256 -1.528 . . . . 0.0 107.954 161.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -63.33 -30.53 71.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.126 -1.609 . . . . 0.0 114.381 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.11 -44.25 89.37 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.696 -1.877 . . . . 0.0 113.826 170.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.424 46.3 pt -53.62 -49.96 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 m -83.13 -32.31 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.903 1.811 . . . . 0.0 114.102 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -88.42 -53.57 4.61 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 9.9 pt-20 -88.1 17.65 4.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.028 2.131 . . . . 0.0 113.612 -168.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.16 152.32 4.41 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 169.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -82.98 168.75 16.71 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 112.069 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.37 -39.53 90.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.364 -1.46 . . . . 0.0 111.74 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.21 -37.5 87.48 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.93 -36.98 85.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.012 -1.68 . . . . 0.0 112.971 173.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -72.93 -44.86 60.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.41 1.484 . . . . 0.0 109.997 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -35.19 71.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.801 0.84 . . . . 0.0 113.196 169.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -63.8 -51.44 64.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.727 -1.233 . . . . 0.0 113.403 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.3 -48.41 79.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.647 -1.283 . . . . 0.0 112.122 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.59 -42.71 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.682 2.393 . . . . 0.0 113.132 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -58.61 -25.09 62.29 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.979 -1.7 . . . . 0.0 114.055 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -111.71 -39.14 4.67 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 122.101 2.228 . . . . 0.0 110.865 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -113.33 56.37 0.69 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.324 1.45 . . . . 0.0 109.978 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -47.39 -58.58 4.0 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.64 -44.07 52.24 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.621 -1.925 . . . . 0.0 111.756 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.66 -51.86 18.37 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 124.313 0.959 . . . . 0.0 111.374 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.389 0.0 OUTLIER -73.33 -46.19 50.89 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 116.52 -1.705 . . . . 0.0 110.007 -175.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -45.51 -48.9 14.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 122.685 2.493 . . . . 0.0 116.741 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.94 2.66 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.515 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.2 m -65.68 -17.96 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 120.162 -1.787 . . . . 0.0 115.521 -171.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.22 -41.03 67.35 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.446 -1.409 . . . . 0.0 114.078 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -51.01 -41.54 59.84 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 165.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.9 -44.91 68.76 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.237 1.415 . . . . 0.0 108.799 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.71 -53.71 54.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.156 -1.59 . . . . 0.0 110.219 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -53.87 -42.99 69.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 ptp -82.69 -26.18 32.3 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.665 -173.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.1 m-30 -83.25 -17.16 43.64 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.733 -1.229 . . . . 0.0 110.756 -175.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.349 5.9 t . . . . . 0 N--CA 1.43 -1.447 0 C-N-CA 124.559 1.144 . . . . 0.0 111.475 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 p30 . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.39 -40.95 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.02 -39.31 66.03 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.005 2.122 . . . . 0.0 111.579 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.444 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -63.76 -59.31 4.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.629 2.371 . . . . 0.0 111.802 176.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.45 -35.13 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.736 2.415 . . . . 0.0 112.058 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -59.4 -60.35 3.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 130.708 3.603 . . . . 0.0 111.551 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.36 -27.02 64.97 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.477 -1.389 . . . . 0.0 113.732 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.8 -39.03 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 113.011 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -53.38 -47.69 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 130.681 3.592 . . . . 0.0 114.342 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -72.23 -41.91 66.32 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.743 -1.223 . . . . 0.0 112.522 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 17' ' ' ILE . 11.1 t -54.59 -42.0 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 O-C-N 119.715 -1.866 . . . . 0.0 113.75 167.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.43 63.25 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.08 -1.637 . . . . 0.0 115.069 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.4 p -82.72 -10.37 58.94 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.089 -2.882 . . . . 0.0 112.76 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.763 HD11 HG13 ' A' ' 14' ' ' VAL . 9.9 mm -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 CA-C-N 120.16 1.346 . . . . 0.0 109.384 163.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.26 -33.92 75.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.67 -1.269 . . . . 0.0 114.264 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 29.1 mt -77.69 -25.82 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.109 -1.619 . . . . 0.0 112.066 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -39.54 91.21 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.127 1.771 . . . . 0.0 110.2 170.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.6 8.74 23.84 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.38 -2.075 . . . . 0.0 114.037 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.331 8.1 t 62.47 32.26 16.74 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 175.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -111.99 42.11 1.82 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.284 2.233 . . . . 0.0 111.32 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -60.67 -20.82 61.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 175.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.64 -43.24 0.87 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 155.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.61 -42.24 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.105 -1.622 . . . . 0.0 111.679 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.3 -32.24 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.733 1.613 . . . . 0.0 113.0 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 41.3 tt0 -51.07 -20.49 1.45 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 128.641 2.777 . . . . 0.0 117.926 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -133.56 137.05 45.33 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.922 -2.361 . . . . 0.0 112.543 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -53.8 12.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.19 1.796 . . . . 0.0 113.074 173.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.57 61.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.078 -2.889 . . . . 0.0 116.393 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.62 -43.43 47.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.077 -1.639 . . . . 0.0 110.171 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.08 -61.59 2.06 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.696 1.999 . . . . 0.0 114.67 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 54' ' ' PHE . 50.2 mt -51.04 -39.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.574 3.149 . . . . 0.0 114.609 173.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.11 91.88 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.008 -1.057 . . . . 0.0 112.966 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -33.17 54.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.746 1.618 . . . . 0.0 109.713 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.18 -43.61 78.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.958 -1.089 . . . . 0.0 113.094 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -76.39 -17.58 59.29 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.764 -1.835 . . . . 0.0 115.653 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.13 -66.75 0.5 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.467 -1.396 . . . . 0.0 111.544 165.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.279 0.2 OUTLIER -81.36 -7.82 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -170.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 53.38 3.37 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.81 68.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 120.336 2.068 . . . . 0.0 108.515 169.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.27 44.2 p -96.53 149.32 21.89 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.769 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.281 10.3 t60 -87.29 -80.02 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 117.335 -1.746 . . . . 0.0 108.75 -152.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.33 44.49 1.16 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.868 1.318 . . . . 0.0 109.539 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.03 1.5 48.83 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-O 116.405 -2.331 . . . . 0.0 116.167 -165.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -126.54 147.33 49.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 121.477 2.638 . . . . 0.0 105.479 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -56.69 135.37 55.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.235 1.017 . . . . 0.0 112.643 -166.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -91.09 131.01 36.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -162.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.67 164.38 11.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.642 -1.286 . . . . 0.0 111.506 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.09 -29.96 69.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.257 -2.152 . . . . 0.0 116.292 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -80.67 -19.22 45.69 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 125.901 2.762 . . . . 0.0 114.566 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -88.58 -32.87 17.91 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.898 -1.955 . . . . 0.0 107.759 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' B' ' 34' ' ' ILE . 61.6 t80 -58.19 -51.34 70.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 167.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -69.69 -28.25 65.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.695 -1.878 . . . . 0.0 113.204 -172.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -62.01 -45.31 94.15 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 165.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.444 HD13 HG21 ' B' ' 7' ' ' THR 0.284 25.4 pt -60.75 -42.95 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 121.113 1.779 . . . . 0.0 115.588 -177.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.66 -44.7 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.467 1.127 . . . . 0.0 112.412 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -68.85 -60.12 2.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.367 -1.458 . . . . 0.0 113.869 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.78 8.79 13.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 115.643 -2.423 . . . . 0.0 115.328 -155.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.3 mt -38.04 141.66 0.2 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 129.461 3.104 . . . . 0.0 114.593 159.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.9 p -83.3 175.84 9.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.231 -1.543 . . . . 0.0 110.875 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.89 -41.66 96.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.358 -1.464 . . . . 0.0 111.565 166.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -57.99 -37.44 74.25 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.59 -29.1 66.55 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.263 1.506 . . . . 0.0 113.111 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -85.87 -35.3 20.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.224 1.41 . . . . 0.0 110.914 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -60.74 -41.21 94.94 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.608 -1.308 . . . . 0.0 111.785 167.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 96.5 m -55.35 -44.64 76.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.536 1.134 . . . . 0.0 113.109 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.91 -31.39 56.66 Favored 'General case' 0 N--CA 1.432 -1.369 0 O-C-N 120.72 -1.237 . . . . 0.0 111.806 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.05 -39.71 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.397 -2.065 . . . . 0.0 114.295 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -66.32 -43.82 85.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.608 -1.308 . . . . 0.0 113.227 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -87.96 -35.88 17.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.904 -1.123 . . . . 0.0 112.802 -168.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -123.64 60.69 1.08 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.124 1.44 . . . . 0.0 107.311 -163.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -54.77 -71.46 0.08 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.12 -2.238 . . . . 0.0 116.536 -157.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.92 -35.49 74.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.249 -1.532 . . . . 0.0 112.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.26 -54.95 17.73 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.783 1.659 . . . . 0.0 113.735 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.431 ' HA ' HG22 ' B' ' 80' ' ' VAL . 13.8 t80 -75.77 -38.45 58.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.962 -1.316 . . . . 0.0 110.23 -174.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -55.5 -46.44 76.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.131 -2.231 . . . . 0.0 115.085 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -65.64 3.25 Favored Glycine 0 N--CA 1.429 -1.777 0 O-C-N 120.7 -1.25 . . . . 0.0 114.608 166.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' B' ' 77' ' ' PHE . 15.5 m -66.1 -23.32 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.205 -1.762 . . . . 0.0 115.081 -170.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -81.66 -12.55 58.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.47 -1.394 . . . . 0.0 113.137 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.55 -44.81 81.34 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 118.925 -2.36 . . . . 0.0 110.61 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.06 -53.88 38.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.921 2.488 . . . . 0.0 108.818 -174.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.91 -34.22 74.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.294 1.838 . . . . 0.0 111.49 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -78.15 -35.51 48.79 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 119.394 0.997 . . . . 0.0 110.501 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 13.2 ptp -80.62 -21.77 41.21 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 123.331 1.538 . . . . 0.0 112.768 -172.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.6 m-85 -88.18 6.14 38.04 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.513 -1.367 . . . . 0.0 113.075 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.43 -1.444 0 O-C-N 120.858 -1.152 . . . . 0.0 108.498 168.669 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 . . . . . 0 N--CA 1.43 -1.464 0 CA-C-O 120.956 0.407 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.17 -38.78 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.52 -46.03 63.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.36 1.864 . . . . 0.0 113.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.2 m -80.0 -37.3 34.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.909 -1.119 . . . . 0.0 112.238 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.51 -46.62 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-O 117.826 -1.083 . . . . 0.0 111.186 167.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -51.45 -41.41 60.85 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 118.808 2.892 . . . . 0.0 118.808 167.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.91 -35.9 64.69 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 121.622 2.01 . . . . 0.0 115.406 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.13 -33.8 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 171.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.43 -53.48 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 118.05 -2.906 . . . . 0.0 115.12 167.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.406 HG21 HG22 ' B' ' 42' ' ' VAL . 15.0 p -63.42 -49.53 73.37 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.311 -0.868 . . . . 0.0 111.48 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HD11 ' B' ' 17' ' ' ILE . 3.1 t -58.03 -40.55 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.46 1.504 . . . . 0.0 111.574 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.84 69.48 Favored 'General case' 0 N--CA 1.43 -1.435 2 O-C-N 113.478 -5.764 . . . . 0.0 110.055 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.303 94.8 p -67.57 -11.08 57.26 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 175.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.628 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -70.25 -48.86 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 125.636 1.574 . . . . 0.0 109.292 160.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.85 -35.1 74.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.788 -1.82 . . . . 0.0 109.671 172.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.76 -32.56 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 122.016 2.189 . . . . 0.0 113.891 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -54.75 -43.37 72.66 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.132 1.787 . . . . 0.0 112.785 173.054 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.438 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.365 3.8 t 75.22 49.8 0.08 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 124.362 2.03 . . . . 0.0 112.277 -176.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -111.46 37.6 2.84 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 128.971 2.908 . . . . 0.0 106.236 164.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.21 -8.41 53.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.96 -44.56 1.72 Allowed 'General case' 0 N--CA 1.429 -1.507 1 C-N-CA 133.27 4.628 . . . . 0.0 117.011 156.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -66.66 -51.91 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.613 -1.929 . . . . 0.0 112.247 168.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -51.13 -39.11 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 23.6 tt0 -54.11 -25.21 20.84 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.39 3.076 . . . . 0.0 117.301 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -113.2 127.24 56.12 Favored 'General case' 0 N--CA 1.429 -1.523 0 O-C-N 119.456 -2.027 . . . . 0.0 112.76 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -44.14 -51.9 7.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.387 2.275 . . . . 0.0 114.618 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.48 27.19 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.663 -1.273 . . . . 0.0 113.308 -168.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.61 -26.6 64.52 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 120.091 -1.631 . . . . 0.0 110.738 173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.79 -53.15 23.36 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.045 1.748 . . . . 0.0 113.958 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.82 -38.89 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 128.334 2.654 . . . . 0.0 115.978 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.99 95.55 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.885 -1.76 . . . . 0.0 110.89 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.5 -31.2 69.31 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 120.491 -1.381 . . . . 0.0 113.816 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.78 -35.18 75.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 123.272 2.76 . . . . 0.0 114.514 171.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -75.84 -22.78 55.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.906 -1.746 . . . . 0.0 113.104 171.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.83 -50.7 16.22 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -83.95 -30.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.288 -2.133 . . . . 0.0 112.973 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.28 45.18 2.62 Favored Glycine 0 N--CA 1.431 -1.647 0 C-N-CA 125.546 1.545 . . . . 0.0 115.961 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.63 109.69 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.793 1.282 . . . . 0.0 108.741 164.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -100.78 152.72 20.16 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.914 -1.742 . . . . 0.0 107.441 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -82.62 -90.37 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.892 -1.755 . . . . 0.0 109.433 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.24 45.58 1.28 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.165 -1.584 . . . . 0.0 111.194 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.97 13.3 82.74 Favored Glycine 0 N--CA 1.43 -1.704 0 C-N-CA 117.378 -2.344 . . . . 0.0 114.823 -175.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -131.0 153.82 48.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 120.678 2.239 . . . . 0.0 111.058 172.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -62.89 148.07 48.36 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 123.853 3.024 . . . . 0.0 115.161 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 125.32 36.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.375 -164.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -101.12 172.21 7.15 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.312 -166.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.19 -46.41 50.74 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -61.13 -44.55 97.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.354 1.062 . . . . 0.0 110.952 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -79.61 -20.71 46.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 43.9 t80 -61.76 -54.69 39.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 124.596 1.159 . . . . 0.0 109.956 162.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -62.37 -27.15 68.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -173.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.329 14.7 ptpt -66.13 -48.9 69.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.217 -0.927 . . . . 0.0 113.182 171.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.35 25.3 pt -58.55 -47.01 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 54' ' ' PHE . 35.5 m -79.17 -34.99 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m -73.21 -57.81 3.76 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.291 3.0 pt-20 -81.25 9.16 7.41 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.544 -2.597 . . . . 0.0 117.326 -166.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -46.58 139.25 5.25 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.949 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.7 p -77.23 164.02 25.99 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.099 -1.626 . . . . 0.0 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -55.54 -38.64 69.55 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.413 -1.429 . . . . 0.0 113.069 174.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.29 -26.56 63.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.43 -37.2 71.48 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.987 -1.696 . . . . 0.0 108.507 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -72.65 -48.23 41.02 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 121.935 0.874 . . . . 0.0 110.485 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -60.71 -24.94 66.05 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -65.93 -45.86 80.32 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.061 -1.649 . . . . 0.0 110.682 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.21 -26.41 65.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.327 -1.483 . . . . 0.0 114.312 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.3 mm -71.96 -39.45 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 117.64 -1.624 . . . . 0.0 108.05 171.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.87 -31.59 56.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 114.018 -3.073 . . . . 0.0 119.078 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -75.13 -39.44 60.52 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.489 -2.007 . . . . 0.0 114.216 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -123.88 73.35 1.21 Allowed 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.817 -1.802 . . . . 0.0 110.35 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -55.64 -72.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -64.92 -53.25 49.41 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.174 -1.579 . . . . 0.0 110.968 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.18 -64.89 3.99 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-O 118.107 -1.385 . . . . 0.0 116.556 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -73.68 -16.31 61.21 Favored 'General case' 0 N--CA 1.43 -1.473 1 CA-C-N 124.534 4.167 . . . . 0.0 114.567 -171.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.21 -55.89 28.22 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 116.174 -2.211 . . . . 0.0 112.238 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.38 7.65 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 119.918 -1.739 . . . . 0.0 114.099 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.75 -16.8 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 O-C-N 116.432 -3.981 . . . . 0.0 112.667 -171.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -76.14 -28.34 57.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 121.23 1.832 . . . . 0.0 113.325 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -50.24 -45.92 54.4 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.662 1.574 . . . . 0.0 113.128 166.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.41 -61.31 1.97 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.56 1.944 . . . . 0.0 107.455 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -50.03 -49.08 52.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 124.691 3.405 . . . . 0.0 117.597 173.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.63 -47.77 78.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 120.505 1.502 . . . . 0.0 114.114 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 ptp -74.81 -20.24 59.86 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.486 -1.384 . . . . 0.0 114.658 -176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 15.1 m-85 -85.33 -8.9 58.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.148 -1.595 . . . . 0.0 109.906 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.428 0 CA-C-N 121.963 2.165 . . . . 0.0 108.167 166.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 tt -56.36 -39.71 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 124.604 1.162 . . . . 0.0 111.796 170.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -58.14 -33.82 69.59 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.837 1.255 . . . . 0.0 113.976 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -46.25 90.7 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.243 1.496 . . . . 0.0 113.013 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.484 HG21 HD11 ' B' ' 61' ' ' LEU . 5.0 t -62.58 -42.3 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.304 -1.498 . . . . 0.0 111.588 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -51.04 -53.52 32.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.726 3.21 . . . . 0.0 113.793 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.85 -49.88 67.49 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.436 3.017 . . . . 0.0 114.581 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.268 30.5 mt -75.87 -19.54 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 112.046 -2.343 . . . . 0.0 112.343 -169.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.599 HG23 HG21 ' B' ' 80' ' ' VAL . 12.9 mt -63.64 -58.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.155 2.582 . . . . 0.0 111.121 172.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -68.09 -35.67 78.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.4 -41.81 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-O 124.801 2.239 . . . . 0.0 116.581 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -65.44 -27.9 68.85 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.189 -2.819 . . . . 0.0 117.21 171.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.295 13.3 p -80.08 -16.33 55.25 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.457 -2.027 . . . . 0.0 108.405 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.726 HD11 HG13 ' A' ' 14' ' ' VAL . 13.1 mm -58.77 -49.73 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-O 124.148 1.928 . . . . 0.0 113.333 165.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.81 -29.63 68.84 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 128.216 3.865 . . . . 0.0 118.568 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.284 13.5 mt -68.42 -39.09 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 1 O-C-N 115.898 -4.251 . . . . 0.0 114.118 167.795 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.9 68.3 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.835 -1.791 . . . . 0.0 114.393 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -81.52 -2.22 49.02 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.914 -1.741 . . . . 0.0 115.314 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.0 t 81.0 31.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -122.04 55.34 1.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-O 123.618 1.675 . . . . 0.0 107.569 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.274 0.0 OUTLIER -65.7 -17.57 64.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.805 170.022 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.92 -33.35 36.85 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.75 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 117.122 -3.486 . . . . 0.0 113.678 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.26 -37.74 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.964 1.706 . . . . 0.0 113.388 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 28.3 tt0 -56.94 -14.32 3.45 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.182 3.03 . . . . 0.0 119.182 -174.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.07 154.94 42.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.536 -1.978 . . . . 0.0 109.576 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -65.53 -49.74 67.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.22 36.68 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.869 -1.769 . . . . 0.0 112.539 -158.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.91 -33.8 70.97 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.39 -58.71 7.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.967 2.107 . . . . 0.0 112.71 169.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt -50.99 -43.95 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 130.664 3.585 . . . . 0.0 113.781 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.87 77.72 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.827 -1.171 . . . . 0.0 113.809 171.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.97 -27.88 54.92 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 112.782 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.76 -39.26 73.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.476 -0.765 . . . . 0.0 110.881 166.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -72.22 -30.67 65.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.218 -1.551 . . . . 0.0 112.372 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.4 -63.22 1.19 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 120.253 1.388 . . . . 0.0 112.24 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.43 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -82.79 -18.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.602 -169.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.47 50.94 3.43 Favored Glycine 0 N--CA 1.43 -1.747 0 O-C-N 120.949 -1.094 . . . . 0.0 112.633 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.43 HG23 HD11 ' B' ' 40' ' ' ILE . 20.2 t -79.73 84.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-O 124.356 2.027 . . . . 0.0 109.91 160.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -97.99 119.79 37.23 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.064 -1.647 . . . . 0.0 106.949 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.12 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.485 -1.384 . . . . 0.0 112.549 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.31 39.85 0.54 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 117.761 -3.087 . . . . 0.0 114.001 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.71 7.64 88.09 Favored Glycine 0 N--CA 1.43 -1.726 0 O-C-N 119.789 -1.819 . . . . 0.0 114.479 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -129.32 144.11 51.11 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.381 -1.658 . . . . 0.0 110.364 -168.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.315 61.8 mttp -60.87 144.92 51.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.1 124.68 41.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -164.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -94.59 164.26 13.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.051 1.341 . . . . 0.0 109.585 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.54 -39.95 77.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.32 -1.487 . . . . 0.0 113.289 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.09 -43.33 74.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.669 1.188 . . . . 0.0 112.797 171.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -70.51 -27.72 64.4 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.333 -1.479 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.29 -52.25 62.77 Favored 'General case' 0 N--CA 1.43 -1.472 1 C-N-CA 111.097 -4.241 . . . . 0.0 117.856 168.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . 0.263 33.5 ttt-85 -54.3 -23.34 14.76 Favored 'General case' 0 N--CA 1.43 -1.467 2 C-N-CA 109.871 -4.731 . . . . 0.0 121.889 179.849 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -78.17 -39.58 40.4 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.342 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.42 -35.7 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.231 1.832 . . . . 0.0 109.121 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.93 -39.11 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 113.703 -3.199 . . . . 0.0 114.492 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -74.45 -35.63 63.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 113.97 -3.092 . . . . 0.0 113.749 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.7 -5.68 55.67 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -165.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 HG21 ' B' ' 8' ' ' VAL . 28.9 mt -50.79 129.05 22.37 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.103 1.361 . . . . 0.0 112.397 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -74.06 175.04 7.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.161 0.984 . . . . 0.0 110.836 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.2 -40.53 90.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.569 -1.957 . . . . 0.0 109.625 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.43 -42.59 96.4 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 175.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.16 -36.6 82.34 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.944 -1.098 . . . . 0.0 112.344 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.39 -37.97 31.23 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.934 -1.729 . . . . 0.0 110.012 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 120.233 1.379 . . . . 0.0 109.623 170.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.2 m -60.97 -45.48 94.58 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 124.202 1.954 . . . . 0.0 113.113 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.24 -33.91 74.29 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 112.989 -1.914 . . . . 0.0 115.558 169.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.79 -40.61 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 121.235 1.834 . . . . 0.0 110.498 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.2 -42.69 95.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.264 -2.148 . . . . 0.0 114.439 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.96 -50.28 8.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.817 0.818 . . . . 0.0 109.205 -177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -107.94 79.71 1.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.954 1.835 . . . . 0.0 110.86 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.69 -64.07 1.08 Allowed 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.307 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -73.78 -45.65 50.31 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.685 -1.259 . . . . 0.0 110.768 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.48 -61.34 6.01 Favored Glycine 0 N--CA 1.429 -1.783 0 C-N-CA 128.408 2.908 . . . . 0.0 109.956 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.22 -39.26 25.66 Favored 'General case' 0 N--CA 1.428 -1.529 1 C-N-CA 110.166 -4.614 . . . . 0.0 117.33 -172.746 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.95 -41.01 77.5 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.441 1.473 . . . . 0.0 114.001 -171.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.26 -60.37 7.23 Favored Glycine 0 N--CA 1.431 -1.636 0 O-C-N 120.124 -1.61 . . . . 0.0 114.277 170.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.599 HG21 HG23 ' B' ' 12' ' ' ILE . 9.4 m -63.38 -26.92 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.233 -1.745 . . . . 0.0 114.029 -172.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -74.73 -24.61 58.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.169 2.188 . . . . 0.0 114.083 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -60.33 -46.71 88.93 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 116.09 -2.244 . . . . 0.0 112.157 160.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -66.47 -55.42 15.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.058 0.943 . . . . 0.0 111.691 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -46.31 -52.88 11.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.956 1.702 . . . . 0.0 113.913 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.4 -48.98 77.33 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.501 1.521 . . . . 0.0 113.113 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -72.52 -26.37 61.73 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.3 m-85 -82.81 -3.92 57.33 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.717 -1.239 . . . . 0.0 113.539 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.497 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 160.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 120.998 0.428 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 tt -41.32 -49.5 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 129.315 3.046 . . . . 0.0 117.541 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.45 -37.87 8.34 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 128.309 2.644 . . . . 0.0 115.242 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.6 m -89.22 -38.27 14.37 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.446 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.91 -49.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-O 123.055 1.407 . . . . 0.0 110.869 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -46.39 -58.09 4.05 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 128.592 2.757 . . . . 0.0 114.222 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.4 -20.52 60.72 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -76.53 -35.06 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.197 -2.189 . . . . 0.0 110.541 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -57.54 -52.64 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.717 2.007 . . . . 0.0 112.843 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.292 5.9 p -55.04 -50.35 69.3 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.425 -1.422 . . . . 0.0 114.394 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.622 HG13 HD11 ' B' ' 17' ' ' ILE . 2.9 t -45.56 -53.34 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.253 2.221 . . . . 0.0 115.914 162.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.63 74.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 111.011 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.27 52.5 p -71.33 -17.44 62.44 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 168.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 17' ' ' ILE . 3.2 mm -65.88 -46.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 119.053 -2.28 . . . . 0.0 110.632 170.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -30.92 71.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.594 -1.316 . . . . 0.0 112.048 176.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.254 91.7 mt -76.47 -28.32 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 120.14 -1.6 . . . . 0.0 112.735 173.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -60.93 -45.75 93.45 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 125.592 1.557 . . . . 0.0 111.105 167.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -90.08 4.76 49.36 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 66.97 51.74 0.94 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 123.164 1.459 . . . . 0.0 114.054 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.5 44.95 2.86 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.005 2.522 . . . . 0.0 112.604 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.458 0.0 OUTLIER -62.39 -24.39 67.35 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 169.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -49.66 -7.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 120.168 3.396 . . . . 0.0 120.168 158.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.72 -44.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 O-C-N 120.373 -1.454 . . . . 0.0 109.957 164.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.92 -31.22 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 125.865 1.666 . . . . 0.0 111.025 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 22.8 pt-20 -64.49 -14.97 59.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -121.95 128.41 51.48 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.516 1.126 . . . . 0.0 111.197 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -59.83 3.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.7 1.6 . . . . 0.0 114.479 172.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.15 40.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.57 -1.956 . . . . 0.0 116.14 -170.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -45.98 -40.05 9.84 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.085 1.754 . . . . 0.0 115.154 167.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -68.16 -48.88 64.11 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.64 1.576 . . . . 0.0 113.567 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.47 -40.13 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 128.307 2.643 . . . . 0.0 114.022 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.97 94.4 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.324 -2.11 . . . . 0.0 113.087 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.265 7.8 t80 -58.75 -41.78 87.31 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.76 2.424 . . . . 0.0 111.826 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.91 -51.1 70.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.486 -1.383 . . . . 0.0 113.238 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -20.17 59.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.91 -1.744 . . . . 0.0 115.475 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.19 -56.77 17.54 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.119 -1.613 . . . . 0.0 113.393 163.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.0 pt -87.64 -11.99 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.72 36.07 7.0 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.31 128.14 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 CA-C-N 120.56 2.18 . . . . 0.0 109.46 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -123.76 151.18 43.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.769 1.227 . . . . 0.0 110.192 -169.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.304 17.5 t60 -79.68 -88.09 0.07 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.7 -1.25 . . . . 0.0 114.251 169.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -99.15 57.22 1.06 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.425 -2.047 . . . . 0.0 108.476 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.75 0.55 41.72 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -110.85 162.82 14.42 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.251 -2.323 . . . . 0.0 108.473 -171.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.92 140.96 55.13 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 108.555 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.81 138.62 31.41 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.903 -1.748 . . . . 0.0 107.909 -158.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.11 166.95 10.14 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -166.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -76.04 -47.92 22.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 121.09 1.768 . . . . 0.0 114.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -65.58 -42.93 91.18 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -85.98 -12.21 51.0 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.916 -1.74 . . . . 0.0 114.978 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -55.49 -54.62 41.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.508 -1.995 . . . . 0.0 112.754 156.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -58.63 -35.51 72.62 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 120.795 -1.191 . . . . 0.0 113.347 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -61.59 -45.68 93.09 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.326 -1.484 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.325 39.7 pt -59.3 -44.57 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 120.067 -1.646 . . . . 0.0 113.312 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.94 -36.76 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -90.7 -43.35 10.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.256 7.0 pt-20 -81.22 9.63 6.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 122.153 2.251 . . . . 0.0 115.355 -167.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.36 151.33 10.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.763 2.025 . . . . 0.0 112.054 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 p -93.36 169.51 10.32 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 109.136 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -55.8 -35.7 66.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 172.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.97 -44.61 60.9 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 175.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -53.85 -35.31 61.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 120.255 1.389 . . . . 0.0 114.169 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -77.06 -55.96 5.0 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.817 1.647 . . . . 0.0 109.798 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.62 -43.83 0.92 Allowed 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 161.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 m -59.57 -40.51 87.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.658 -1.276 . . . . 0.0 113.432 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.5 -32.1 42.38 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.946 -1.721 . . . . 0.0 112.652 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.37 -41.64 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.3 -2.125 . . . . 0.0 113.04 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -62.5 -44.99 95.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.138 1.532 . . . . 0.0 115.138 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.35 -24.44 20.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.55 -1.344 . . . . 0.0 112.491 -172.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -129.97 71.32 1.45 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.325 -2.11 . . . . 0.0 107.226 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -61.38 -71.18 0.15 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -167.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.64 -34.29 77.52 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.828 1.251 . . . . 0.0 111.451 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.48 -66.14 2.58 Favored Glycine 0 N--CA 1.429 -1.787 0 C-N-CA 125.805 1.669 . . . . 0.0 112.267 -170.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.276 0.8 OUTLIER -71.44 -41.2 69.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 117.01 -1.471 . . . . 0.0 110.584 -173.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -48.1 -51.62 23.82 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 121.766 2.075 . . . . 0.0 116.021 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -64.37 4.02 Favored Glycine 0 N--CA 1.43 -1.757 0 O-C-N 119.976 -1.703 . . . . 0.0 114.425 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -16.98 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.492 -2.181 . . . . 0.0 114.633 -176.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -81.68 -15.1 55.56 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.228 -2.17 . . . . 0.0 112.918 176.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -69.77 -43.71 71.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 115.987 -2.285 . . . . 0.0 111.499 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -64.33 -61.45 2.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.902 2.081 . . . . 0.0 108.136 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.77 -35.24 61.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -64.87 0.76 Allowed 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 120.491 1.496 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 ptp -55.36 -22.67 20.49 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.4 m-30 -81.07 -8.15 59.71 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.721 -1.237 . . . . 0.0 112.355 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.431 -1.412 0 CA-C-O 123.278 1.513 . . . . 0.0 109.327 173.689 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 122.33 1.062 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.3 -43.27 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.071 2.548 . . . . 0.0 114.04 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -50.15 -45.38 53.17 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.004 2.122 . . . . 0.0 114.872 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -78.14 -42.66 31.07 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.549 0.739 . . . . 0.0 110.181 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.7 -42.06 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 119.31 -2.119 . . . . 0.0 115.079 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' B' ' 12' ' ' ILE 0.361 15.5 ptt180 -72.54 -39.64 67.36 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.051 1.74 . . . . 0.0 115.523 -176.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.259 9.5 pt-20 -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.723 0.773 . . . . 0.0 111.962 167.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 mt -73.05 -31.53 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 O-C-N 118.543 -2.598 . . . . 0.0 113.38 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.5 mt -50.67 -51.77 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.2 -2.812 . . . . 0.0 113.486 166.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -80.96 -23.77 38.57 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.926 -2.359 . . . . 0.0 110.428 -173.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.479 HG13 HD11 ' A' ' 17' ' ' ILE . 2.2 t -66.26 -37.17 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 126.748 2.019 . . . . 0.0 111.245 170.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -7.84 55.57 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.041 -2.912 . . . . 0.0 111.713 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.276 80.5 p -87.27 -25.92 23.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.062 169.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 17' ' ' ILE . 13.3 mm -49.42 -52.53 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 122.545 1.164 . . . . 0.0 112.405 157.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.71 -46.93 88.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.71 -1.244 . . . . 0.0 114.174 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.66 -25.75 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 118.48 -2.638 . . . . 0.0 116.208 169.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -44.08 94.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.018 -2.301 . . . . 0.0 111.381 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.99 -1.5 39.94 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.713 2.005 . . . . 0.0 114.056 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 55.98 46.74 21.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.644 2.378 . . . . 0.0 115.375 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.62 56.83 0.67 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.914 1.685 . . . . 0.0 109.744 169.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.342 0.0 OUTLIER -72.38 -11.46 60.7 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -49.87 -35.03 21.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.375 2.27 . . . . 0.0 115.696 166.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -76.74 -39.07 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 O-C-N 120.582 -1.324 . . . . 0.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.2 -43.29 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.68 1.592 . . . . 0.0 111.701 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 21.5 tt0 -55.19 -24.62 27.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.803 3.241 . . . . 0.0 116.445 175.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.8 113.92 20.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.281 -1.512 . . . . 0.0 111.923 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -42.52 -53.73 4.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 128.921 2.888 . . . . 0.0 113.11 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.22 -16.45 60.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -85.12 -23.3 28.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.416 -2.053 . . . . 0.0 109.469 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -74.4 -49.39 22.8 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.989 1.716 . . . . 0.0 110.855 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.94 -41.01 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 130.111 3.364 . . . . 0.0 112.265 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.15 61.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.204 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.21 -33.83 67.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -41.39 91.88 Favored 'General case' 0 CA--C 1.488 -1.411 0 O-C-N 120.059 -1.65 . . . . 0.0 112.246 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.05 -31.28 69.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.874 -1.766 . . . . 0.0 113.603 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.66 -51.09 53.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.011 1.324 . . . . 0.0 112.76 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 22.2 pt -78.36 -23.68 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.79 31.39 11.27 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 116.609 -2.217 . . . . 0.0 115.772 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.21 124.87 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.963 3.381 . . . . 0.0 107.409 159.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.1 p -113.43 165.78 12.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.34 9.5 t60 -79.54 -98.86 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.868 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.3 60.56 0.83 Allowed 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.594 -1.941 . . . . 0.0 109.499 -176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.69 -5.99 59.67 Favored Glycine 0 N--CA 1.431 -1.66 0 O-C-N 120.452 -1.405 . . . . 0.0 114.348 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -103.99 144.57 31.37 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.461 1.905 . . . . 0.0 110.323 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.8 132.89 50.74 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 112.367 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.832 1.301 . . . . 0.0 111.873 -162.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -97.46 164.98 12.22 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.924 1.29 . . . . 0.0 111.909 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.33 -41.76 98.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.964 -1.71 . . . . 0.0 115.01 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -71.07 -41.77 70.27 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.032 -1.667 . . . . 0.0 113.372 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 41.3 m -77.19 -23.63 51.48 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.851 1.26 . . . . 0.0 113.557 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.25 -49.5 73.88 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.436 1.495 . . . . 0.0 110.715 165.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -66.22 -31.05 71.65 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -173.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -60.84 -53.1 61.51 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.815 -1.178 . . . . 0.0 113.363 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.333 31.3 pt -52.07 -47.38 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.899 -1.126 . . . . 0.0 113.967 -178.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.78 -48.97 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 65.4 m -74.06 -48.29 30.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.081 -1.637 . . . . 0.0 114.288 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.54 6.48 12.36 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -164.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.75 147.12 9.28 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.243 1.417 . . . . 0.0 112.934 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 70.8 p -83.3 171.88 13.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.788 -1.195 . . . . 0.0 110.258 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.61 -44.2 96.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.653 -1.279 . . . . 0.0 110.852 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.45 -26.23 65.4 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.64 -37.64 70.84 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.784 -1.822 . . . . 0.0 112.041 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -76.42 -41.95 45.91 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.438 -1.414 . . . . 0.0 110.304 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.26 62.17 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.442 1.497 . . . . 0.0 113.162 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.6 m -58.96 -40.88 86.06 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 121.758 0.789 . . . . 0.0 112.603 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.84 -44.16 67.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.424 -1.423 . . . . 0.0 111.858 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.39 -44.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.18 -1.575 . . . . 0.0 113.917 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.88 -42.95 94.87 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.929 2.091 . . . . 0.0 115.354 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -100.57 -42.4 6.57 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.741 -1.225 . . . . 0.0 113.151 -171.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -103.22 47.11 0.89 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.32 -2.112 . . . . 0.0 108.798 -169.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -44.41 -68.39 0.2 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 127.361 2.265 . . . . 0.0 114.816 -165.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.65 -58.94 6.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.174 2.19 . . . . 0.0 115.454 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.7 -40.97 51.89 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.861 -1.15 . . . . 0.0 114.493 -168.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.316 0.3 OUTLIER -73.06 -40.5 65.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.167 -1.396 . . . . 0.0 110.6 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.56 -54.72 3.81 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 122.748 2.522 . . . . 0.0 115.632 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.99 -64.73 3.82 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.893 -1.129 . . . . 0.0 115.214 171.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -68.61 -22.88 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.734 -2.627 . . . . 0.0 114.765 -171.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -75.28 -19.42 59.7 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.296 -2.128 . . . . 0.0 113.27 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -61.23 -44.33 97.44 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.794 -1.816 . . . . 0.0 111.357 162.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.53 -46.59 66.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.77 1.628 . . . . 0.0 109.804 -175.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.75 -25.97 61.38 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.886 -1.759 . . . . 0.0 113.011 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -82.99 -37.66 23.7 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.479 1.036 . . . . 0.0 110.237 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -75.82 -29.48 58.68 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.526 -1.359 . . . . 0.0 113.377 -170.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.457 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 22.8 m-85 -87.03 -1.63 58.02 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.905 -1.747 . . . . 0.0 111.14 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.287 6.5 t . . . . . 0 N--CA 1.431 -1.408 0 O-C-N 120.718 -1.239 . . . . 0.0 110.557 172.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 . . . . . 0 N--CA 1.43 -1.45 0 CA-C-O 122.881 1.324 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.65 -45.8 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.353 2.661 . . . . 0.0 115.195 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -46.8 69.92 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.877 2.471 . . . . 0.0 112.493 174.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -72.08 -25.62 61.84 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.961 -1.712 . . . . 0.0 113.122 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.53 -32.47 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.269 -2.145 . . . . 0.0 111.725 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -73.01 -47.81 41.79 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.802 2.441 . . . . 0.0 113.167 -172.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.41 -45.72 92.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.082 -1.636 . . . . 0.0 114.298 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' CG1' HG11 ' A' ' 42' ' ' VAL . 20.9 mt -66.94 -27.32 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.709 -1.869 . . . . 0.0 113.813 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.549 HG23 HG21 ' A' ' 80' ' ' VAL . 17.2 mt -56.72 -52.41 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 119.817 -1.802 . . . . 0.0 111.601 167.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -59.69 -43.94 93.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.166 -1.584 . . . . 0.0 114.397 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 17' ' ' ILE . 3.2 t -55.16 -44.35 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.875 2.47 . . . . 0.0 114.089 173.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.26 74.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.129 -2.232 . . . . 0.0 112.566 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 p -62.56 -29.88 70.9 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 HG21 ' B' ' 17' ' ' ILE . 43.5 mm -54.53 -52.98 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.382 1.473 . . . . 0.0 112.222 168.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.32 -42.87 92.42 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.334 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.39 -33.86 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.035 -1.666 . . . . 0.0 114.037 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -53.96 -37.32 63.81 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.767 -1.833 . . . . 0.0 114.016 167.021 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -95.69 9.15 41.33 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.509 1.924 . . . . 0.0 114.052 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 59.62 36.44 22.61 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -108.66 54.05 0.67 Allowed 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.098 -2.251 . . . . 0.0 112.111 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.279 0.0 OUTLIER -71.18 -13.41 61.92 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.139 1.904 . . . . 0.0 116.139 178.369 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -44.44 -42.48 7.05 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.189 2.596 . . . . 0.0 116.598 164.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 mt -72.94 -42.54 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.681 -1.262 . . . . 0.0 110.594 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.26 -44.4 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 126.418 1.887 . . . . 0.0 112.849 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 5.5 pt-20 -58.29 -11.93 3.21 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 120.889 3.663 . . . . 0.0 120.889 -170.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -129.09 120.26 25.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.496 -1.377 . . . . 0.0 110.41 175.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.78 -52.17 14.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.886 2.074 . . . . 0.0 114.792 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.39 -46.59 89.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.91 -1.744 . . . . 0.0 114.983 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.97 -32.91 73.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -65.31 -48.85 71.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.169 2.187 . . . . 0.0 112.59 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.3 mt -51.19 -42.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 128.425 2.69 . . . . 0.0 114.319 169.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.06 71.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.916 1.286 . . . . 0.0 109.344 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.04 -40.39 70.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.369 2.268 . . . . 0.0 115.809 168.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.95 -36.65 72.85 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.391 -2.068 . . . . 0.0 113.475 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.49 -1.381 . . . . 0.0 113.856 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.37 -54.56 9.08 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.293 1.037 . . . . 0.0 113.489 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -11.76 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 121.25 -0.906 . . . . 0.0 112.568 -171.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.26 25.28 12.73 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 170.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.3 t -71.55 112.15 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 119.903 1.852 . . . . 0.0 111.455 171.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -102.25 156.54 17.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.824 -1.172 . . . . 0.0 108.295 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.264 23.0 t60 -80.03 -96.07 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.57 51.92 1.19 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.39 1.567 . . . . 0.0 110.43 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.18 -6.23 80.25 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 126.594 2.045 . . . . 0.0 114.186 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -114.77 157.28 23.44 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.524 1.53 . . . . 0.0 113.492 -169.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -65.58 135.56 55.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.855 1.262 . . . . 0.0 111.687 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.24 129.76 34.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.406 1.574 . . . . 0.0 113.737 -165.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -96.66 155.3 16.83 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.855 2.062 . . . . 0.0 111.598 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.11 -39.11 86.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.457 -1.402 . . . . 0.0 114.328 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -69.18 -45.86 68.93 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.406 -1.434 . . . . 0.0 113.657 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m -76.38 -18.78 58.69 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.246 1.418 . . . . 0.0 113.386 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.03 -49.11 73.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.464 1.506 . . . . 0.0 111.446 165.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.73 -22.49 60.87 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.925 -1.734 . . . . 0.0 112.137 -170.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -66.47 -52.91 41.13 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 120.346 1.43 . . . . 0.0 114.225 163.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 41.3 pt -50.79 -47.26 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 126.22 1.808 . . . . 0.0 114.106 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.31 -49.21 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.444 -1.41 . . . . 0.0 114.505 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -84.03 -33.37 24.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -85.77 5.42 32.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 121.912 2.142 . . . . 0.0 116.108 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -58.86 148.26 30.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.928 -1.732 . . . . 0.0 113.249 -166.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.9 p -75.3 168.16 20.52 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.664 -1.898 . . . . 0.0 109.378 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.25 -43.75 95.84 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.218 -1.551 . . . . 0.0 111.45 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -61.84 -37.28 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.99 -41.8 95.08 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.904 1.282 . . . . 0.0 112.149 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -74.27 -41.09 61.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.493 -2.004 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -61.87 -31.18 71.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.07 1.348 . . . . 0.0 112.232 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.8 m -62.06 -44.53 96.49 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-O 121.97 0.891 . . . . 0.0 112.796 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.39 -45.35 84.37 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 111.357 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.57 -39.34 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.439 -1.413 . . . . 0.0 114.363 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -61.07 -37.94 84.44 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.763 -1.836 . . . . 0.0 115.516 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -103.47 -28.07 12.01 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -118.5 49.42 1.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.084 -1.635 . . . . 0.0 109.82 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -39.43 -69.4 0.13 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -174.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.86 -30.81 59.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.621 1.568 . . . . 0.0 112.336 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -68.84 -57.65 7.67 Favored Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 126.294 1.902 . . . . 0.0 111.084 -171.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.356 0.3 OUTLIER -70.52 -48.53 55.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 116.157 -1.878 . . . . 0.0 109.507 -178.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -42.42 -50.93 5.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 123.813 3.006 . . . . 0.0 118.002 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.8 -53.59 11.36 Favored Glycine 0 N--CA 1.43 -1.727 0 O-C-N 120.391 -1.443 . . . . 0.0 114.555 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 76' ' ' GLY . 19.5 m -72.7 -19.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 119.16 -2.376 . . . . 0.0 112.497 -172.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -74.74 -26.57 59.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.473 -1.392 . . . . 0.0 112.587 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -64.82 -33.9 77.1 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.812 -1.805 . . . . 0.0 111.522 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.65 -64.23 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.72 -22.2 4.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.1 -48.72 17.0 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.77 -1.206 . . . . 0.0 111.104 174.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.5 ptp -77.77 -18.23 56.67 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.051 -1.655 . . . . 0.0 113.669 -171.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -88.11 -5.53 58.4 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.393 1.477 . . . . 0.0 111.815 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.431 -1.423 0 O-C-N 121.067 -1.021 . . . . 0.0 111.077 174.82 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 123.019 1.39 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.431 HG23 ' N ' ' B' ' 6' ' ' ASP . 11.8 tt -46.53 -47.47 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.431 ' N ' HG23 ' B' ' 5' ' ' ILE . 1.6 m-20 -60.49 -42.63 96.73 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 125.589 1.556 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -63.95 -42.16 97.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.44 -1.413 . . . . 0.0 114.218 170.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.12 -44.39 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.114 -2.242 . . . . 0.0 112.152 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -52.78 -55.26 24.18 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 130.975 3.71 . . . . 0.0 112.535 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.93 -34.32 77.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.593 -1.942 . . . . 0.0 114.817 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -70.29 -38.62 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 119.957 -1.714 . . . . 0.0 111.405 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -51.09 -45.8 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 127.513 2.325 . . . . 0.0 115.066 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -72.66 -38.17 67.72 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 17' ' ' ILE . 41.5 t -55.96 -41.65 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 125.301 1.44 . . . . 0.0 114.659 161.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.92 85.16 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.669 -1.895 . . . . 0.0 112.392 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.6 p -70.56 -13.53 62.14 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.798 -1.814 . . . . 0.0 115.522 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 14' ' ' VAL . 6.4 mm -62.97 -50.39 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.485 -1.384 . . . . 0.0 111.281 163.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mp -64.0 -36.19 83.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.127 -1.608 . . . . 0.0 112.74 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.47 -28.43 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.458 -1.401 . . . . 0.0 112.931 175.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -38.92 90.08 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.925 1.29 . . . . 0.0 112.157 167.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -92.18 8.29 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.209 -1.557 . . . . 0.0 115.112 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 66.98 34.12 5.38 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.546 1.538 . . . . 0.0 113.803 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -114.12 41.56 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.253 1.821 . . . . 0.0 112.344 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.435 0.0 OUTLIER -59.32 -24.46 63.34 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 170.635 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -35.53 -42.59 0.23 Allowed 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 157.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -74.57 -45.73 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.417 -1.427 . . . . 0.0 111.184 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.1 -33.59 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 127.242 2.217 . . . . 0.0 112.92 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 8.6 pt-20 -70.62 -14.33 62.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -119.56 117.83 29.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.344 1.057 . . . . 0.0 109.932 173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -50.62 -43.13 56.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.281 1.433 . . . . 0.0 112.316 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.6 63.46 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -79.27 -38.94 34.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.696 -1.877 . . . . 0.0 109.07 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -55.99 -53.52 55.86 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.407 1.483 . . . . 0.0 112.636 171.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -52.58 -44.97 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 127.736 2.414 . . . . 0.0 114.159 173.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.13 -30.33 70.31 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -79.47 -37.44 36.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.964 1.306 . . . . 0.0 108.978 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.49 -50.18 73.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.978 1.311 . . . . 0.0 111.867 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -59.29 -43.52 92.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.96 -60.17 3.18 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.33 1.052 . . . . 0.0 113.029 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.52 45.76 5.42 Favored Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.565 -1.959 . . . . 0.0 116.666 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.33 131.39 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 118.921 1.361 . . . . 0.0 110.001 163.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.5 p -131.32 145.67 51.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.796 -1.19 . . . . 0.0 113.29 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.304 33.2 t60 -70.47 -84.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.526 -1.984 . . . . 0.0 114.208 167.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -96.21 42.54 1.09 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.284 -1.51 . . . . 0.0 111.057 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 23.76 72.82 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 119.793 -1.817 . . . . 0.0 115.263 -169.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -133.64 167.36 20.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.46 143.04 53.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.187 -1.571 . . . . 0.0 112.818 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.96 125.34 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.084 0.945 . . . . 0.0 109.565 -168.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -101.66 167.72 9.93 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.192 1.397 . . . . 0.0 113.491 -167.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.93 -48.12 82.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.917 2.087 . . . . 0.0 113.778 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -70.2 -58.43 3.79 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.639 1.576 . . . . 0.0 112.774 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -59.89 -28.25 67.4 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.9 -2.375 . . . . 0.0 117.035 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -52.94 -58.29 7.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-O 124.268 1.985 . . . . 0.0 113.305 162.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -63.72 -14.73 54.95 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.007 -1.683 . . . . 0.0 114.442 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER -81.93 -50.96 8.57 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 116.635 -2.026 . . . . 0.0 109.031 170.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.288 28.9 pt -53.79 -50.54 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 120.227 -1.546 . . . . 0.0 114.633 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.24 -34.19 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -77.09 -50.73 12.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.27 6.2 pt-20 -87.12 10.67 15.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -161.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.33 142.82 7.03 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.3 -1.5 . . . . 0.0 113.393 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -84.65 175.36 9.27 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -175.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.6 -44.46 93.95 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.616 -1.303 . . . . 0.0 110.201 172.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.19 -46.72 79.29 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -61.97 -30.55 71.0 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.06 -37.1 34.61 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.573 -1.329 . . . . 0.0 109.021 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -64.39 -39.27 93.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.126 -1.608 . . . . 0.0 111.005 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -53.2 -47.72 68.68 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.295 1.438 . . . . 0.0 113.139 171.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.06 -35.98 72.12 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.335 -2.103 . . . . 0.0 113.037 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -41.81 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.882 -1.761 . . . . 0.0 114.12 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.68 -38.33 76.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.87 -20.9 20.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -138.51 64.63 1.49 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.523 -1.986 . . . . 0.0 107.148 -168.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.29 -65.81 0.59 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.558 -1.964 . . . . 0.0 114.663 -161.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -56.14 -57.08 13.72 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.05 1.74 . . . . 0.0 114.414 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.91 -56.73 22.46 Favored Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 125.849 1.69 . . . . 0.0 114.091 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.3 8.2 t80 -76.94 -27.07 54.7 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 118.175 0.988 . . . . 0.0 111.761 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -52.71 -60.22 3.52 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 122.598 2.454 . . . . 0.0 114.245 169.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -59.76 9.0 Favored Glycine 0 N--CA 1.431 -1.688 0 O-C-N 121.213 -0.929 . . . . 0.0 114.537 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.7 m -68.25 -21.41 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.357 -2.26 . . . . 0.0 114.901 -173.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.51 -14.13 57.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.402 -2.061 . . . . 0.0 113.444 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -68.15 -37.47 81.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.591 -2.568 . . . . 0.0 111.912 161.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.08 -64.4 0.88 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.128 2.171 . . . . 0.0 108.337 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.3 mt -49.61 -47.28 49.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.955 -1.716 . . . . 0.0 112.708 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.04 -37.97 84.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.291 17.3 ptp -74.96 -29.74 61.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 124.149 1.928 . . . . 0.0 111.062 -172.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.7 m-85 -83.36 -0.15 48.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.715 -1.241 . . . . 0.0 112.93 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.397 4.8 t . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 122.573 1.178 . . . . 0.0 110.981 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.504 HD22 ' HA ' ' A' ' 57' ' ' ILE . 2.9 m120 . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 123.158 1.456 . . . . 0.0 113.14 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.34 -45.39 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 130.588 3.555 . . . . 0.0 115.606 -170.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -64.92 -35.7 81.99 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -66.99 -39.6 87.2 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.565 1.146 . . . . 0.0 110.197 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.99 -46.09 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.497 -1.377 . . . . 0.0 112.775 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -49.96 -47.04 52.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.94 2.096 . . . . 0.0 114.784 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.05 -37.51 87.82 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 123.503 1.621 . . . . 0.0 113.751 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.37 -21.83 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 118.963 -2.335 . . . . 0.0 112.499 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.67 -46.91 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 128.178 2.591 . . . . 0.0 112.11 168.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.469 HG21 HG22 ' B' ' 42' ' ' VAL . 17.1 p -66.62 -55.17 16.53 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.608 -1.308 . . . . 0.0 111.128 -178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 HD11 ' B' ' 17' ' ' ILE . 54.4 t -42.2 -48.08 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 165.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.56 56.95 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 116.623 -3.798 . . . . 0.0 111.42 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -82.04 -11.23 58.92 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.038 -1.664 . . . . 0.0 112.302 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.575 HG21 HG21 ' B' ' 17' ' ' ILE . 4.9 mm -68.24 -49.35 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 123.805 1.764 . . . . 0.0 107.868 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 5.8 mt -57.76 -42.3 83.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.541 -1.663 . . . . 0.0 112.534 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mt -71.66 -26.37 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.077 -2.264 . . . . 0.0 112.552 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -41.49 86.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.888 1.222 . . . . 0.0 110.616 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.41 -10.44 43.86 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t 70.9 46.39 0.49 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 126.584 1.953 . . . . 0.0 111.074 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -108.49 51.16 0.75 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.107 2.163 . . . . 0.0 106.753 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -73.98 -16.45 61.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.085 -1.635 . . . . 0.0 114.818 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -35.83 -49.64 0.62 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.289 3.036 . . . . 0.0 117.937 160.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.95 -45.19 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 124.183 0.993 . . . . 0.0 109.87 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.22 -39.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.716 1.606 . . . . 0.0 113.296 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 34.0 tt0 -63.6 -17.75 63.19 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.8 3.24 . . . . 0.0 118.247 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -126.23 127.73 46.1 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.544 -1.972 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -46.52 -60.9 2.07 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.633 2.373 . . . . 0.0 114.942 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.3 -25.08 59.36 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.678 -1.264 . . . . 0.0 112.68 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.5 -26.85 55.71 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.981 -1.074 . . . . 0.0 110.291 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.25 -50.15 23.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.148 1.779 . . . . 0.0 112.316 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -55.9 -35.91 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.273 1.829 . . . . 0.0 114.976 172.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.21 90.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.806 1.289 . . . . 0.0 111.996 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.4 t80 -61.53 -32.73 72.79 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.136 2.174 . . . . 0.0 113.041 171.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.3 -34.95 75.48 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.792 -1.817 . . . . 0.0 112.332 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -73.73 -22.7 59.81 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.175 -1.578 . . . . 0.0 111.73 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -74.55 -63.69 1.19 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.393 1.877 . . . . 0.0 114.816 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -18.03 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.486 -1.384 . . . . 0.0 109.942 -175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.97 26.41 11.53 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 157.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG22 HG21 ' B' ' 13' ' ' THR . 21.5 t -71.68 120.93 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-O 122.254 1.026 . . . . 0.0 109.461 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.8 p -108.0 155.16 20.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.921 1.288 . . . . 0.0 110.213 -168.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.269 21.6 t60 -84.43 -89.82 0.1 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.06 -1.025 . . . . 0.0 111.774 165.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 40.9 mt-10 -91.66 42.31 1.1 Allowed 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 118.973 -2.329 . . . . 0.0 111.354 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.4 -3.55 86.08 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.585 -1.322 . . . . 0.0 112.55 -174.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -117.93 163.64 16.25 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.41 146.19 52.24 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.6 1.19 . . . . 0.0 112.785 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 128.64 34.66 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 123.254 1.502 . . . . 0.0 113.044 -171.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -91.89 155.62 18.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.631 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.69 -33.09 70.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -76.48 -46.79 25.3 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 117.337 -3.352 . . . . 0.0 108.936 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -68.7 -19.28 64.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.647 2.476 . . . . 0.0 116.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -68.9 -44.45 73.14 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.994 1.378 . . . . 0.0 112.105 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -66.03 -24.25 66.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.519 -1.363 . . . . 0.0 111.536 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.315 28.0 pttt -71.54 -44.8 63.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 169.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' HA ' HD22 ' A' ' 4' ' ' ASN 0.368 9.6 pt -58.18 -45.49 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 178.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 HG21 ' A' ' 88' ' ' THR . 27.9 m -79.85 -38.46 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -92.31 -40.68 10.8 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.1 2.01 14.08 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.889 2.132 . . . . 0.0 115.919 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.32 137.59 6.22 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.107 2.163 . . . . 0.0 115.619 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.1 p -76.99 171.63 14.49 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 122.257 1.027 . . . . 0.0 111.541 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -74.87 -27.95 60.46 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.059 -1.651 . . . . 0.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.14 -41.27 81.9 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.846 167.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.12 -30.13 68.33 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 123.582 2.901 . . . . 0.0 113.318 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.35 -48.51 67.28 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.746 -1.221 . . . . 0.0 110.73 168.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.16 -27.52 65.74 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 120.986 1.721 . . . . 0.0 111.092 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -72.37 -41.93 65.81 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.281 -1.512 . . . . 0.0 112.669 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.03 -32.67 70.93 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 121.609 2.004 . . . . 0.0 111.109 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.29 -44.56 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.836 1.654 . . . . 0.0 113.016 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.25 -48.72 78.13 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.139 -1.6 . . . . 0.0 115.091 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -73.59 -35.41 65.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -174.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.01 77.28 1.75 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.776 -1.828 . . . . 0.0 114.309 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -53.83 -70.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -71.29 -41.9 69.38 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.918 -1.114 . . . . 0.0 112.922 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.51 -62.08 6.67 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 117.727 1.851 . . . . 0.0 117.727 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.22 -27.86 62.8 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.333 2.566 . . . . 0.0 110.791 -172.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.07 -58.51 7.04 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.156 -2.215 . . . . 0.0 114.085 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.08 -66.82 2.31 Favored Glycine 0 N--CA 1.431 -1.695 0 N-CA-C 115.196 0.838 . . . . 0.0 115.196 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 0.0 OUTLIER -64.96 -28.15 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.689 -2.654 . . . . 0.0 116.9 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.65 -15.86 60.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.374 2.352 . . . . 0.0 112.973 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -67.88 -43.14 80.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.478 -2.639 . . . . 0.0 113.956 167.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.17 -58.85 6.62 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 109.684 -3.417 . . . . 0.0 112.134 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.67 -43.63 80.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.083 -2.26 . . . . 0.0 115.192 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.62 -43.81 88.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 113.025 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.2 ptp -79.87 -30.39 40.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.062 1.301 . . . . 0.0 114.133 -169.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -75.74 5.72 5.86 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 58' ' ' VAL 0.35 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.45 0 O-C-N 120.097 -1.627 . . . . 0.0 108.12 171.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 120.445 0.165 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tt -56.51 -37.18 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -59.49 -47.64 84.72 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.444 1.897 . . . . 0.0 112.428 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -67.27 -42.16 84.31 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.521 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.75 -50.17 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 124.515 1.126 . . . . 0.0 113.056 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.25 8.0 ttt180 -53.4 -43.33 67.81 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.881 2.472 . . . . 0.0 116.724 174.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.49 -43.09 95.23 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.945 -1.722 . . . . 0.0 112.959 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 mt -70.72 -30.25 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.581 -1.324 . . . . 0.0 112.306 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -57.96 -52.92 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 126.696 1.998 . . . . 0.0 112.251 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . 0.488 HG21 HG22 ' A' ' 42' ' ' VAL . 13.6 p -69.61 -41.0 76.28 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.05 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.412 HG13 HD11 ' A' ' 17' ' ' ILE 0.258 3.6 t -49.78 -41.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.504 1.921 . . . . 0.0 115.287 167.763 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -23.11 33.85 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.297 -2.127 . . . . 0.0 111.444 -172.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.7 p -72.24 -23.11 61.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.808 1.243 . . . . 0.0 114.025 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.59 HD11 HG13 ' A' ' 14' ' ' VAL . 3.0 mm -59.52 -47.63 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 124.733 1.213 . . . . 0.0 109.857 166.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.42 -32.66 73.55 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.279 27.0 mt -70.01 -35.65 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 120.644 -1.285 . . . . 0.0 113.769 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -42.63 77.09 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.866 -1.771 . . . . 0.0 114.945 168.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -88.26 7.75 30.63 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t 64.69 42.48 4.68 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.557 -1.339 . . . . 0.0 114.089 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -126.5 45.05 2.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.398 1.571 . . . . 0.0 110.317 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.385 0.0 OUTLIER -65.36 -17.5 64.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.041 175.256 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.83 -15.65 43.65 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.69 -58.48 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.527 1.131 . . . . 0.0 108.824 164.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -55.15 -38.44 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 128.057 2.543 . . . . 0.0 113.604 -173.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.74 -11.91 14.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.646 3.179 . . . . 0.0 117.226 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -127.49 117.21 21.66 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.229 -1.545 . . . . 0.0 110.787 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -39.66 -49.21 2.22 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.082 2.553 . . . . 0.0 114.751 171.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.18 -32.8 24.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.968 -1.708 . . . . 0.0 111.745 -166.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -74.18 -29.13 61.62 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.716 0.77 . . . . 0.0 112.124 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -60.83 -54.05 49.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.473 1.509 . . . . 0.0 112.94 170.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' B' ' 54' ' ' PHE . 47.7 mt -51.15 -39.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.724 2.81 . . . . 0.0 114.749 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.58 94.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.748 -1.845 . . . . 0.0 112.217 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.257 8.4 t80 -66.67 -34.41 77.8 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.914 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.24 -34.87 75.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.543 -1.973 . . . . 0.0 112.734 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.21 -40.72 74.39 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.358 -1.464 . . . . 0.0 109.72 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.42 -52.58 37.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.848 2.059 . . . . 0.0 114.912 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.443 HD11 HG23 ' B' ' 42' ' ' VAL 0.253 0.1 OUTLIER -86.3 -24.4 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.406 -1.434 . . . . 0.0 112.641 179.445 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 51.04 2.72 Favored Glycine 0 N--CA 1.431 -1.694 0 O-C-N 121.346 -0.846 . . . . 0.0 113.755 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 13' ' ' THR . 21.1 t -85.98 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 162.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.4 p -123.27 148.21 46.15 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.156 -1.383 . . . . 0.0 110.168 -169.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -75.08 -104.35 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.187 -0.946 . . . . 0.0 111.188 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.72 45.43 0.59 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.067 -2.27 . . . . 0.0 112.366 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.53 8.43 87.75 Favored Glycine 0 N--CA 1.43 -1.734 0 O-C-N 119.974 -1.704 . . . . 0.0 113.751 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -105.71 167.81 9.52 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.797 1.239 . . . . 0.0 113.038 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -76.93 120.91 22.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.778 -1.827 . . . . 0.0 110.373 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 121.94 21.97 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -173.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.29 165.51 12.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.794 -1.191 . . . . 0.0 110.313 -172.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.52 -40.95 73.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.209 -1.557 . . . . 0.0 114.013 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -64.82 -48.67 73.53 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.245 -0.909 . . . . 0.0 110.517 172.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 m -74.72 -22.09 59.02 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' B' ' 34' ' ' ILE . 62.0 t80 -58.85 -49.1 78.99 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.759 -2.463 . . . . 0.0 114.553 162.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -64.96 -31.95 73.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.216 -1.553 . . . . 0.0 113.114 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.363 32.4 pttt -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 168.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.281 18.3 pt -59.25 -50.74 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.983 -1.698 . . . . 0.0 113.614 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.63 -41.01 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -173.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -68.0 -58.44 4.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.302 7.5 pt-20 -79.54 11.84 2.85 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -162.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.89 135.65 41.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.845 -1.784 . . . . 0.0 111.916 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -76.13 173.89 10.75 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.476 -1.39 . . . . 0.0 111.063 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.932 -1.73 . . . . 0.0 110.929 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -84.21 -27.09 28.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.46 -33.78 54.58 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.204 -1.56 . . . . 0.0 112.705 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -67.94 -54.1 21.26 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.368 1.467 . . . . 0.0 109.933 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.81 -42.44 0.59 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.793 2.037 . . . . 0.0 114.88 163.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 45.3 m -69.82 -37.07 76.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 123.544 1.64 . . . . 0.0 113.012 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.38 -34.1 74.03 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.901 -1.124 . . . . 0.0 113.923 172.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.96 -43.17 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.866 -1.146 . . . . 0.0 111.91 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -55.81 -58.52 7.52 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.159 1.384 . . . . 0.0 113.123 172.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -16.59 34.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.82 52.64 1.98 Allowed 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 118.811 -2.43 . . . . 0.0 114.079 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -39.77 -69.23 0.13 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.078 3.362 . . . . 0.0 120.078 -176.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -56.2 -51.98 66.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.663 1.585 . . . . 0.0 113.027 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.47 -53.23 10.44 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.262 1.41 . . . . 0.0 111.644 -169.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.258 1.0 OUTLIER -74.59 -38.4 62.64 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 115.801 -2.047 . . . . 0.0 109.166 -171.038 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -57.45 -46.69 83.32 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 124.523 3.329 . . . . 0.0 114.907 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -58.36 11.89 Favored Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 121.685 2.039 . . . . 0.0 115.071 172.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.74 -23.58 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.987 -1.89 . . . . 0.0 114.095 -173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -76.98 -20.56 55.94 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.541 -1.974 . . . . 0.0 113.84 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -57.83 -50.92 71.66 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 122.595 2.452 . . . . 0.0 112.437 154.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.32 -61.91 1.94 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.4 ' O ' HG22 ' B' ' 88' ' ' THR . 94.0 mt -43.03 -54.82 4.1 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 170.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.82 -49.6 72.82 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.7 ptp -65.39 -33.81 76.84 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.95 0.06 33.02 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.4 HG22 ' O ' ' B' ' 84' ' ' LEU . 1.7 t . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 122.589 1.185 . . . . 0.0 110.179 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -52.16 -51.23 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.687 2.395 . . . . 0.0 115.968 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -65.97 -31.16 71.91 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 m -66.1 -36.55 83.47 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.869 -1.144 . . . . 0.0 111.443 172.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.5 -38.29 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 121.032 -1.042 . . . . 0.0 109.41 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -68.5 -49.81 56.85 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.349 2.26 . . . . 0.0 111.419 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.61 -51.48 55.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.709 -2.041 . . . . 0.0 113.304 171.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -74.55 -26.59 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.028 -1.67 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.41 -52.22 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 118.651 -2.53 . . . . 0.0 114.391 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.252 16.0 p -55.71 -47.25 77.17 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 175.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -56.34 -43.46 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 126.196 1.798 . . . . 0.0 115.152 170.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.79 -38.38 64.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 118.391 -2.693 . . . . 0.0 112.751 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.5 p -63.46 -24.48 67.85 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 171.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' B' ' 17' ' ' ILE . 2.0 mm -54.22 -50.69 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.379 0 CA-C-O 124.05 1.881 . . . . 0.0 113.505 164.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.43 -44.34 95.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 113.185 -1.825 . . . . 0.0 109.618 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.69 -38.1 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 118.219 -2.8 . . . . 0.0 113.299 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -36.98 5.76 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.342 2.792 . . . . 0.0 116.784 167.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -94.18 4.95 53.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.652 2.381 . . . . 0.0 115.978 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t 57.42 41.31 26.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.049 2.139 . . . . 0.0 114.904 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -104.82 51.67 0.76 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.412 1.885 . . . . 0.0 112.304 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -15.98 55.3 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.042 -1.661 . . . . 0.0 111.42 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.42 -20.08 6.82 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 158.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -83.55 -46.0 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.961 2.164 . . . . 0.0 106.493 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.97 -34.34 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 126.03 1.732 . . . . 0.0 111.968 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.6 pt-20 -58.95 -23.8 61.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.66 119.22 37.34 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.296 1.038 . . . . 0.0 112.658 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -44.83 -57.33 3.81 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.464 2.706 . . . . 0.0 114.713 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.61 67.24 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.824 -1.173 . . . . 0.0 114.112 -172.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -58.96 -32.94 70.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.86 -50.09 58.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.815 1.246 . . . . 0.0 113.35 170.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.51 -35.79 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 127.118 2.167 . . . . 0.0 114.029 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.39 65.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.765 1.745 . . . . 0.0 108.631 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -55.43 -42.71 74.57 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 113.064 -1.88 . . . . 0.0 115.356 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.86 -37.4 71.25 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.884 -1.135 . . . . 0.0 113.583 171.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -74.39 -32.66 62.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.629 -1.919 . . . . 0.0 114.217 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -63.95 -48.91 74.66 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.122 -1.611 . . . . 0.0 112.5 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 pt -87.5 -19.96 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.758 -1.214 . . . . 0.0 113.842 -176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.66 47.49 7.24 Favored Glycine 0 N--CA 1.431 -1.698 0 CA-C-O 117.653 -1.637 . . . . 0.0 116.876 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.25 128.21 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.619 3.71 . . . . 0.0 108.279 164.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -110.59 146.31 36.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.04 0.936 . . . . 0.0 111.924 -167.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -87.89 -81.04 0.25 Allowed 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.57 -1.331 . . . . 0.0 109.301 169.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -89.17 37.68 0.86 Allowed 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.475 -1.39 . . . . 0.0 114.448 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.59 -1.83 60.43 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 121.349 -0.844 . . . . 0.0 113.001 -166.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.253 48.4 mtt85 -119.96 164.97 15.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.395 -2.827 . . . . 0.0 111.624 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -78.29 147.65 34.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.321 -1.487 . . . . 0.0 110.289 -167.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.6 124.68 39.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.978 1.847 . . . . 0.0 113.076 -152.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -99.28 169.29 9.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.971 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -71.56 -43.82 65.65 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.089 -1.632 . . . . 0.0 114.694 -174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -65.45 -40.2 92.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 123.989 1.852 . . . . 0.0 115.82 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -77.59 -29.68 52.12 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.29 -50.82 72.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.291 1.043 . . . . 0.0 111.591 161.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -65.16 -28.84 69.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.159 -2.838 . . . . 0.0 116.15 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 28.7 pttt -69.96 -36.13 75.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 170.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 pt -64.44 -42.48 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.471 -1.393 . . . . 0.0 113.765 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -86.6 -40.27 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -79.71 -60.52 2.32 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.372 -1.455 . . . . 0.0 114.922 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -86.82 13.11 9.46 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 -164.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -45.98 158.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.2 p -83.87 170.91 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.67 -1.894 . . . . 0.0 107.937 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.36 -46.3 84.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.445 -1.409 . . . . 0.0 111.411 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -60.33 -35.55 75.91 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.68 -40.43 94.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.296 -1.503 . . . . 0.0 114.602 170.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -73.98 -43.87 56.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.372 1.469 . . . . 0.0 110.876 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -70.69 -9.69 57.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.686 1.594 . . . . 0.0 112.75 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 m -79.42 -61.66 1.93 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 174.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.21 -35.27 48.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.505 3.15 . . . . 0.0 119.505 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.83 -38.88 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 168.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.78 -38.71 80.2 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.053 -2.279 . . . . 0.0 116.253 170.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -87.58 -38.14 16.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.093 -1.63 . . . . 0.0 112.738 -172.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -113.0 65.34 0.64 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.226 1.41 . . . . 0.0 107.762 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.34 -71.21 0.07 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -75.35 -40.6 58.04 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 123.946 0.899 . . . . 0.0 112.655 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.44 94.27 Favored Glycine 0 N--CA 1.43 -1.719 0 O-C-N 120.2 -1.563 . . . . 0.0 116.918 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.408 0.1 OUTLIER -77.92 -30.71 50.67 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.591 -176.69 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.66 -58.5 3.39 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 122.801 2.546 . . . . 0.0 114.715 169.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.73 -57.56 7.09 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 122.653 1.141 . . . . 0.0 115.285 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -71.15 -22.64 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.741 -2.623 . . . . 0.0 114.455 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -69.47 -41.3 76.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.474 -2.016 . . . . 0.0 112.699 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.259 19.4 mmt180 -49.5 -41.97 42.27 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.495 1.952 . . . . 0.0 113.917 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -69.68 -55.51 9.77 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 128.171 2.588 . . . . 0.0 105.809 -172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 88' ' ' THR . 74.5 mt -60.32 -36.9 79.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.867 -1.771 . . . . 0.0 115.017 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -59.27 4.47 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.106 -1.622 . . . . 0.0 109.919 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.254 7.5 ptp -57.31 -32.85 67.08 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.5 m-85 -78.35 -12.46 60.0 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.658 -1.277 . . . . 0.0 112.832 -174.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.7 t . . . . . 0 N--CA 1.43 -1.439 0 CA-C-O 122.407 1.099 . . . . 0.0 110.844 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 . . . . . 0 N--CA 1.43 -1.47 0 CA-C-O 123.175 1.464 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 tt -44.28 -55.25 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.152 3.019 . . . . 0.0 119.152 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -67.52 -31.43 71.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.504 1.121 . . . . 0.0 112.426 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 83.2 m -63.73 -47.83 79.5 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.026 -1.671 . . . . 0.0 114.285 167.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.82 -39.08 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 126.7 2.0 . . . . 0.0 110.596 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -57.28 -57.24 13.5 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 130.821 3.648 . . . . 0.0 112.688 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -69.55 -26.14 64.36 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.752 -2.468 . . . . 0.0 115.102 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.459 ' CG1' HG11 ' B' ' 42' ' ' VAL . 33.1 mt -74.32 -26.03 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.944 -1.722 . . . . 0.0 111.342 174.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.04 -49.85 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.455 -2.028 . . . . 0.0 111.509 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . 0.31 2.1 p -69.7 -36.0 75.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 123.754 0.822 . . . . 0.0 112.829 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 HD11 ' A' ' 17' ' ' ILE . 2.5 t -59.15 -42.92 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.016 1.326 . . . . 0.0 114.531 165.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.5 63.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.004 -1.06 . . . . 0.0 108.896 -171.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -76.02 -14.17 60.22 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 17' ' ' ILE . 28.4 mm -59.23 -51.95 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 121.053 1.751 . . . . 0.0 112.238 160.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 0.9 OUTLIER -66.19 -28.88 69.1 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.994 -1.691 . . . . 0.0 112.892 -178.137 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -76.96 -36.18 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.351 -2.093 . . . . 0.0 108.603 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -57.89 -42.48 84.73 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.617 1.567 . . . . 0.0 113.121 170.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.31 3.84 48.2 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 119.924 -1.735 . . . . 0.0 115.182 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t 69.42 37.58 1.98 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.869 -1.769 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -114.96 43.65 1.94 Allowed 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.398 2.279 . . . . 0.0 112.668 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.407 0.0 OUTLIER -57.38 -21.49 36.35 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 170.335 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -40.92 -38.4 0.95 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.62 3.193 . . . . 0.0 119.62 159.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -73.55 -40.23 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.614 -1.929 . . . . 0.0 110.393 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.74 -36.71 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 126.655 1.982 . . . . 0.0 112.329 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.89 -21.45 66.47 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.269 2.628 . . . . 0.0 116.027 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -112.32 126.11 54.9 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.001 -1.687 . . . . 0.0 111.687 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -51.48 -57.59 8.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.791 2.036 . . . . 0.0 113.987 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.48 -35.02 58.65 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 119.239 -2.163 . . . . 0.0 114.716 -170.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -55.56 -41.92 73.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 168.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.62 -46.31 83.13 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.538 1.535 . . . . 0.0 112.383 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' B' ' 54' ' ' PHE . 64.8 mt -57.38 -41.53 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.108 1.763 . . . . 0.0 113.984 170.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.57 91.67 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.408 -2.057 . . . . 0.0 114.536 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 18' ' ' LEU 0.304 20.5 t80 -57.31 -42.75 82.42 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.459 2.303 . . . . 0.0 112.487 165.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.91 -35.1 78.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.587 -1.946 . . . . 0.0 112.006 174.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -73.59 -29.54 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.679 -1.888 . . . . 0.0 114.26 170.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.37 -61.79 2.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 167.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -82.01 -14.63 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.296 -1.503 . . . . 0.0 112.319 -168.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.99 45.03 6.46 Favored Glycine 0 N--CA 1.431 -1.661 0 O-C-N 120.885 -1.134 . . . . 0.0 115.807 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.459 HG11 ' CG1' ' B' ' 11' ' ' ILE . 93.1 t -78.41 108.35 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 161.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -110.43 119.05 37.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.698 -1.252 . . . . 0.0 109.89 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 45' ' ' GLU . 35.7 t60 -66.96 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 44' ' ' HIS . 92.3 mt-10 -91.48 51.01 1.81 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.017 -2.927 . . . . 0.0 109.396 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 11.16 74.37 Favored Glycine 0 N--CA 1.43 -1.742 0 CA-C-O 116.297 -2.39 . . . . 0.0 114.274 -174.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -133.49 161.96 33.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.238 2.519 . . . . 0.0 106.59 -174.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.57 157.84 22.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.26 -1.525 . . . . 0.0 111.32 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.01 132.98 33.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.578 1.656 . . . . 0.0 111.563 -166.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -93.29 163.75 13.49 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.342 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -62.86 -47.58 82.73 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.618 1.567 . . . . 0.0 113.171 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -72.06 -42.14 66.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.646 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -74.45 -30.61 61.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 125.621 3.828 . . . . 0.0 112.68 -176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.489 ' CD2' HD11 ' B' ' 34' ' ' ILE . 52.9 t80 -46.65 -52.82 12.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 159.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -65.25 -29.9 70.73 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.63 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 33.2 pttt -67.75 -24.36 65.34 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 165.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.402 HG13 HG13 ' B' ' 58' ' ' VAL 0.311 41.1 pt -68.53 -53.39 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 CA-C-N 123.679 2.945 . . . . 0.0 115.124 166.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.402 HG13 HG13 ' B' ' 57' ' ' ILE . 23.0 m -70.07 -35.87 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -75.07 -57.4 3.92 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 116.882 -3.637 . . . . 0.0 114.983 -171.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -78.67 13.41 1.66 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.665 -3.147 . . . . 0.0 118.184 -169.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.97 146.77 45.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.422 -2.049 . . . . 0.0 111.614 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -88.84 172.88 8.87 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 118.882 -2.386 . . . . 0.0 107.996 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -54.03 -46.33 71.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.325 -2.109 . . . . 0.0 114.145 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -67.76 -32.59 73.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -69.76 -35.03 74.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.175 -1.578 . . . . 0.0 112.278 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.81 -46.31 58.62 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.044 1.338 . . . . 0.0 109.485 175.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -56.18 -28.56 58.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 49.9 m -67.98 -34.85 77.33 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.706 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.39 -41.57 69.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.004 -1.685 . . . . 0.0 113.648 167.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.1 -46.01 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 118.753 -2.467 . . . . 0.0 115.945 171.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.58 -48.6 66.11 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -92.88 -18.7 22.49 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.934 1.243 . . . . 0.0 113.425 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.2 74.77 1.6 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.611 -1.306 . . . . 0.0 107.683 -170.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -69.82 0.25 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.576 1.15 . . . . 0.0 112.557 -172.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.42 -42.85 98.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.77 -1.832 . . . . 0.0 114.703 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.62 -56.9 12.63 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 117.005 -1.997 . . . . 0.0 113.333 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.289 0.8 OUTLIER -77.77 -37.32 49.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.115 2.458 . . . . 0.0 112.322 -171.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . 0.28 61.3 mt-10 -39.85 -59.95 1.09 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 163.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.84 -63.07 4.46 Favored Glycine 0 N--CA 1.43 -1.712 0 O-C-N 118.2 -2.813 . . . . 0.0 116.007 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.17 -24.77 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.02 -1.871 . . . . 0.0 114.292 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -81.01 -14.41 57.94 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.24 -2.163 . . . . 0.0 113.299 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -61.45 -55.54 30.17 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.007 -2.308 . . . . 0.0 111.439 158.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.56 -50.37 60.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.661 2.784 . . . . 0.0 116.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.42 -47.11 83.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.771 -3.081 . . . . 0.0 111.294 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -67.63 -37.84 83.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.001 -1.687 . . . . 0.0 113.49 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -78.15 -16.95 57.46 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.521 -1.987 . . . . 0.0 113.133 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -93.39 1.22 56.97 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.486 -2.009 . . . . 0.0 112.576 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.3 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 168.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.429 -1.477 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -47.07 -47.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.28 -18.95 65.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.321 1.849 . . . . 0.0 115.197 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 19.5 m -93.96 -34.78 12.93 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 110.029 175.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 8' ' ' VAL . 4.3 t -58.12 -42.76 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 118.456 -2.653 . . . . 0.0 110.694 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -44.45 -61.68 1.45 Allowed 'General case' 0 N--CA 1.43 -1.457 1 C-N-CA 132.648 4.379 . . . . 0.0 112.803 173.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.1 -24.0 67.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 173.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -81.97 -35.65 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 119.335 -2.103 . . . . 0.0 110.058 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.71 -39.92 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 128.59 2.756 . . . . 0.0 114.492 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.52 -41.52 38.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.602 HG13 HD11 ' B' ' 17' ' ' ILE . 2.5 t -50.34 -43.62 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.645 1.978 . . . . 0.0 115.632 164.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.75 87.22 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.579 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.0 p -69.19 -16.08 63.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 17' ' ' ILE . 12.6 mm -62.44 -49.27 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 120.996 1.725 . . . . 0.0 110.793 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 26' ' ' ILE . 5.0 mp -61.44 -36.94 81.79 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.624 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -75.65 -26.85 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.594 -1.942 . . . . 0.0 112.073 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.94 98.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.322 1.449 . . . . 0.0 113.088 169.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -90.25 2.2 55.69 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 67.47 47.09 1.28 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.982 1.713 . . . . 0.0 113.948 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -123.22 34.7 5.05 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.158 2.183 . . . . 0.0 111.84 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.328 0.0 OUTLIER -57.68 -24.9 59.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 176.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -47.8 -32.32 5.9 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' ' 18' ' ' LEU . 20.6 mt -69.32 -43.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 119.975 -1.703 . . . . 0.0 111.78 172.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -67.04 -36.63 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.332 2.253 . . . . 0.0 112.925 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 tm-20 -60.98 -20.98 63.07 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 129.088 2.955 . . . . 0.0 116.746 -168.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -130.73 128.12 40.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.202 1.001 . . . . 0.0 112.348 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -53.63 -45.51 70.19 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.38 63.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.448 -2.658 . . . . 0.0 116.991 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -78.54 -39.62 37.35 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.645 -1.285 . . . . 0.0 108.449 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.2 -54.7 43.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 126.361 1.865 . . . . 0.0 112.866 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 54' ' ' PHE . 20.7 mt -55.97 -41.8 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.393 2.277 . . . . 0.0 114.457 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.22 69.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -35.88 33.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 126.531 1.932 . . . . 0.0 109.596 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.99 -48.13 79.16 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.111 -1.618 . . . . 0.0 112.307 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -65.05 -16.42 63.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.405 -2.06 . . . . 0.0 116.52 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.47 -60.77 2.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.749 1.613 . . . . 0.0 113.351 167.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -86.51 -4.73 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -166.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.68 39.8 6.52 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 121.262 -0.899 . . . . 0.0 113.371 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.517 HG23 HD11 ' A' ' 40' ' ' ILE . 56.1 t -82.84 119.8 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 CA-C-N 119.996 1.898 . . . . 0.0 108.102 167.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -113.79 149.57 34.73 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.37 -1.456 . . . . 0.0 110.211 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -78.94 -87.07 0.06 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.51 -1.994 . . . . 0.0 113.978 166.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -91.6 50.96 1.79 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.035 -1.666 . . . . 0.0 110.369 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.98 19.04 28.8 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 -169.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -133.59 161.79 33.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -76.62 141.85 40.89 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.667 1.223 . . . . 0.0 111.461 -167.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -97.93 126.81 43.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.978 1.311 . . . . 0.0 108.94 -156.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -97.06 153.7 17.78 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.018 1.327 . . . . 0.0 111.036 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.27 -37.88 87.18 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -68.96 -54.15 16.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.008 1.323 . . . . 0.0 113.404 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -78.95 -10.56 59.86 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.178 -2.826 . . . . 0.0 115.083 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 34' ' ' ILE . 57.5 t80 -57.31 -55.14 38.63 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.265 1.507 . . . . 0.0 111.125 159.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -61.33 -31.95 71.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.234 -0.916 . . . . 0.0 112.994 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.312 8.4 pttp -63.0 -49.83 73.12 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 119.651 1.114 . . . . 0.0 113.546 168.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.332 24.4 pt -53.79 -51.07 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 121.75 2.068 . . . . 0.0 114.716 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.05 -31.48 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 t -82.73 -43.53 16.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -86.82 3.94 43.17 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -159.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.7 mt -51.68 145.68 8.91 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 125.774 1.63 . . . . 0.0 113.024 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -87.41 177.07 7.22 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.71 -46.01 76.9 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.304 -2.122 . . . . 0.0 110.363 173.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.08 -39.51 63.38 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 170.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -68.37 -33.97 75.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.859 -1.776 . . . . 0.0 114.588 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.16 -31.61 30.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.528 -1.982 . . . . 0.0 110.549 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.99 85.53 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.575 -1.328 . . . . 0.0 110.034 171.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.8 m -59.0 -38.62 79.61 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.492 1.917 . . . . 0.0 113.995 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.02 -43.63 57.27 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 119.922 -1.736 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.4 -42.52 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.337 1.455 . . . . 0.0 113.533 172.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.71 -48.17 82.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.936 1.695 . . . . 0.0 114.634 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -86.97 -28.01 22.94 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.902 -1.749 . . . . 0.0 115.357 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -121.84 66.92 0.91 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -58.04 -68.09 0.28 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.392 1.477 . . . . 0.0 112.832 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.0 -36.18 79.56 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.086 2.154 . . . . 0.0 112.701 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -59.31 9.32 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 124.617 1.103 . . . . 0.0 115.382 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -84.24 -24.86 29.82 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 119.375 1.588 . . . . 0.0 110.358 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.69 -54.62 44.04 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.803 -2.435 . . . . 0.0 111.909 168.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.32 -70.12 1.09 Allowed Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.442 -1.411 . . . . 0.0 116.305 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.99 -26.13 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.303 -2.292 . . . . 0.0 115.75 -169.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -80.87 -15.72 55.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 119.239 0.927 . . . . 0.0 113.087 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -63.27 -46.89 84.71 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 115.291 -2.564 . . . . 0.0 111.727 161.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -61.49 -57.25 12.92 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.951 1.701 . . . . 0.0 109.031 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -30.85 64.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.443 -2.036 . . . . 0.0 116.219 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.38 -45.88 36.39 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.795 -1.816 . . . . 0.0 110.885 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -81.56 -18.46 44.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.027 -2.295 . . . . 0.0 113.114 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 14.4 m-30 -87.58 -3.32 58.99 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.055 1.342 . . . . 0.0 110.996 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.378 7.0 t . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 122.796 1.284 . . . . 0.0 112.186 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 5' ' ' ILE . 6.7 tt -89.04 -34.63 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.552 2.341 . . . . 0.0 110.065 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.62 -34.44 65.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.621 1.568 . . . . 0.0 112.422 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.2 m -69.01 -47.66 64.92 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.568 -2.582 . . . . 0.0 112.439 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.56 -35.63 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.731 -1.856 . . . . 0.0 114.879 166.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -69.69 -51.5 33.96 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.555 2.342 . . . . 0.0 111.448 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.16 -49.98 50.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.245 1.418 . . . . 0.0 114.47 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.469 HG12 HG11 ' B' ' 42' ' ' VAL . 24.3 mt -70.5 -25.55 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 119.396 -2.065 . . . . 0.0 114.097 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.42 -55.13 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.975 -2.328 . . . . 0.0 112.052 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.0 -37.04 85.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.414 1.486 . . . . 0.0 113.833 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 17' ' ' ILE . 2.8 t -61.46 -42.99 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 125.32 1.448 . . . . 0.0 112.823 171.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.65 70.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.088 -2.257 . . . . 0.0 113.063 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 99.2 p -67.87 -22.93 65.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.101 -2.249 . . . . 0.0 114.835 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 14' ' ' VAL . 20.8 mm -51.82 -54.06 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.061 1.345 . . . . 0.0 112.327 159.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB ' ' B' ' 26' ' ' ILE . 3.0 mp -57.7 -42.99 84.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.48 -34.54 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.758 -1.839 . . . . 0.0 113.456 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -48.71 65.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.67 -1.894 . . . . 0.0 114.113 167.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -81.78 1.75 33.19 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.488 -1.383 . . . . 0.0 114.452 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t 57.7 41.79 24.76 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 126.742 2.017 . . . . 0.0 114.845 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.72 48.02 0.85 Allowed 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.158 2.583 . . . . 0.0 109.85 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.251 0.1 OUTLIER -71.57 -16.67 62.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.789 -1.819 . . . . 0.0 114.765 -178.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -54.56 -29.61 51.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.424 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.1 mt -71.79 -40.77 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.712 -1.867 . . . . 0.0 110.481 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.99 -42.61 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.279 1.832 . . . . 0.0 111.267 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 13.5 tm-20 -50.77 -19.77 1.06 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -130.44 122.82 28.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.339 -1.476 . . . . 0.0 109.079 173.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -56.36 -41.85 76.83 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.578 1.151 . . . . 0.0 113.388 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.86 -30.64 69.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.397 -2.064 . . . . 0.0 116.109 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -77.07 -33.43 57.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.08 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.13 -48.96 77.81 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.401 1.88 . . . . 0.0 112.799 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 54' ' ' PHE . 32.2 mt -60.42 -36.22 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.199 2.2 . . . . 0.0 112.83 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.45 69.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.99 1.316 . . . . 0.0 108.002 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 5.0 t80 -54.21 -42.98 70.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.038 2.135 . . . . 0.0 115.762 167.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.71 -38.21 80.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.894 -2.379 . . . . 0.0 113.929 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.24 -26.95 65.04 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.428 -2.045 . . . . 0.0 113.412 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.98 -57.75 5.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.026 1.33 . . . . 0.0 112.969 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.544 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -87.89 -19.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.802 -1.186 . . . . 0.0 112.838 -170.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.31 7.72 Favored Glycine 0 N--CA 1.429 -1.798 0 N-CA-C 115.87 1.108 . . . . 0.0 115.87 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.544 HG23 HD11 ' B' ' 40' ' ' ILE 0.324 21.9 t -70.22 116.79 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 120.575 -1.544 . . . . 0.0 110.531 160.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -121.21 154.16 36.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.392 1.077 . . . . 0.0 110.541 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.29 9.3 t60 -86.86 -95.32 0.09 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.108 -0.995 . . . . 0.0 113.259 172.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.3 53.19 2.25 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.785 -1.822 . . . . 0.0 111.954 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 7.78 66.2 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 118.42 -2.675 . . . . 0.0 115.049 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -122.44 155.44 36.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.735 1.614 . . . . 0.0 111.281 -170.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -65.7 132.67 49.35 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.706 1.603 . . . . 0.0 111.377 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.91 130.23 34.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 123.092 1.425 . . . . 0.0 112.016 -162.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -96.12 158.3 15.5 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.116 1.366 . . . . 0.0 112.227 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -65.98 -40.12 90.96 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.665 -1.272 . . . . 0.0 113.794 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -76.38 -46.49 27.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.271 1.428 . . . . 0.0 113.166 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.7 m -79.39 -9.55 59.62 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.502 -1.374 . . . . 0.0 113.752 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' B' ' 34' ' ' ILE . 90.3 t80 -64.34 -51.66 62.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.574 -1.329 . . . . 0.0 109.771 159.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -66.41 -25.22 66.66 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.982 -1.699 . . . . 0.0 112.346 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.32 3.1 pttp -64.13 -52.07 60.9 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 167.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.296 23.6 pt -46.33 -44.11 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 121.73 2.059 . . . . 0.0 115.264 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.91 -40.94 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -74.95 -46.47 35.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.64 9.1 2.44 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.347 1.859 . . . . 0.0 115.737 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 140.96 58.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.324 -1.485 . . . . 0.0 111.936 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 81.8 p -86.72 171.25 11.07 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.806 -1.184 . . . . 0.0 109.89 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.73 -38.62 91.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.415 -1.428 . . . . 0.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.43 -35.58 77.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 171.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -66.93 -37.93 85.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.968 -1.708 . . . . 0.0 111.862 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -77.56 -36.73 51.85 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.315 -1.491 . . . . 0.0 110.762 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -43.15 67.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.935 1.294 . . . . 0.0 111.799 162.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -64.34 -44.59 91.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -47.27 87.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.78 -1.2 . . . . 0.0 112.974 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.6 mt -55.8 -39.35 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.752 1.221 . . . . 0.0 112.941 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.0 -35.59 80.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.027 -1.671 . . . . 0.0 114.815 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -86.55 -40.99 14.69 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.105 -1.622 . . . . 0.0 111.758 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.22 70.26 0.88 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.898 1.679 . . . . 0.0 109.061 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -56.34 -69.69 0.14 Allowed 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.791 1.636 . . . . 0.0 112.287 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -58.08 -51.51 69.41 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.074 1.749 . . . . 0.0 112.862 177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.99 -53.03 24.87 Favored Glycine 0 N--CA 1.431 -1.691 0 O-C-N 120.87 -1.144 . . . . 0.0 115.645 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.28 5.5 t80 -73.02 -33.2 65.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 119.934 1.867 . . . . 0.0 110.456 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.66 -53.87 45.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 121.198 1.817 . . . . 0.0 114.061 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.81 10.49 Favored Glycine 0 N--CA 1.431 -1.658 0 O-C-N 119.596 -1.94 . . . . 0.0 116.067 171.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.08 -17.79 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 118.372 -2.84 . . . . 0.0 114.036 -170.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -87.28 -10.85 51.31 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.222 -1.549 . . . . 0.0 111.985 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -62.82 -46.15 89.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.892 -2.38 . . . . 0.0 110.043 157.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -69.17 -54.37 15.21 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.913 1.685 . . . . 0.0 110.484 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.0 mt -59.91 -42.63 94.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.153 -1.592 . . . . 0.0 111.398 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.24 -40.67 90.38 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.119 -1.613 . . . . 0.0 115.056 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.2 ptp -75.51 -14.78 60.43 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.38 -1.45 . . . . 0.0 114.436 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 21.8 m-85 -94.11 -4.46 49.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.089 1.356 . . . . 0.0 110.985 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.43 -1.456 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 166.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 . . . . . 0 N--CA 1.429 -1.485 0 CA-C-O 123.399 1.571 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -58.89 -39.57 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 C-N-CA 127.166 2.186 . . . . 0.0 113.419 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -46.33 84.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.838 1.655 . . . . 0.0 111.734 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -67.83 -42.27 81.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.3 83.1 t -46.7 -47.41 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 162.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -67.43 -40.17 85.45 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -74.77 -26.26 59.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 118.091 -2.881 . . . . 0.0 114.882 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.65 -33.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.965 -1.709 . . . . 0.0 111.54 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 80' ' ' VAL . 20.7 mt -57.36 -44.72 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 121.018 1.735 . . . . 0.0 113.957 170.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.281 7.0 p -65.6 -44.32 86.97 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.304 -0.873 . . . . 0.0 111.421 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.564 HG13 HD11 ' B' ' 17' ' ' ILE . 29.4 t -55.85 -42.1 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 125.984 1.713 . . . . 0.0 114.654 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.4 -29.57 37.74 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 117.477 -1.689 . . . . 0.0 107.148 -168.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.5 p -72.09 -13.91 61.71 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.594 -1.942 . . . . 0.0 114.486 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' B' ' 17' ' ' ILE . 29.7 mm -60.58 -51.55 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 CA-C-N 121.065 1.757 . . . . 0.0 111.87 160.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.89 -33.02 74.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.557 -1.339 . . . . 0.0 112.628 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.282 37.1 mt -72.0 -31.93 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.614 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -57.83 -43.48 85.84 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.613 -1.304 . . . . 0.0 113.592 168.62 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.92 2.09 56.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.505 1.522 . . . . 0.0 114.094 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.373 1.7 t 54.18 51.33 14.66 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 118.939 2.94 . . . . 0.0 118.939 -171.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -115.41 51.33 0.93 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 168.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -18.27 64.78 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.744 2.018 . . . . 0.0 115.131 174.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -48.15 -32.0 6.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 162.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.22 -48.31 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.53 -2.606 . . . . 0.0 111.006 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.56 -43.93 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 C-N-CA 125.874 1.67 . . . . 0.0 111.28 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 4.8 tm-20 -50.16 -24.75 2.98 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -111.92 126.39 55.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.86 -1.775 . . . . 0.0 110.496 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -41.98 -53.27 3.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.169 2.588 . . . . 0.0 114.297 172.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.47 32.5 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.026 -2.296 . . . . 0.0 114.418 -172.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -68.85 -35.09 76.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 119.5 1.046 . . . . 0.0 112.34 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -58.61 -55.81 30.25 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 54' ' ' PHE . 58.5 mt -54.96 -29.51 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 O-C-N 119.104 -2.247 . . . . 0.0 116.179 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.56 61.68 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.273 -2.142 . . . . 0.0 112.979 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.303 2.0 t80 -71.38 -38.74 71.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.308 1.443 . . . . 0.0 111.548 170.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.3 -44.41 84.07 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.891 1.276 . . . . 0.0 112.516 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.33 -23.37 66.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.14 1.376 . . . . 0.0 113.907 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.0 -64.33 1.21 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 119.71 1.141 . . . . 0.0 112.767 172.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 HD13 ' B' ' 17' ' ' ILE 0.281 0.1 OUTLIER -72.58 -17.02 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-N 121.43 1.923 . . . . 0.0 113.675 -173.645 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 38.1 5.54 Favored Glycine 0 N--CA 1.43 -1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 114.87 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG23 HD11 ' A' ' 40' ' ' ILE . 51.5 t -74.93 114.58 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.6 p -96.57 156.2 16.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.341 1.057 . . . . 0.0 109.85 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.286 25.6 t60 -77.82 -99.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 157.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -88.25 49.34 1.78 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.321 -2.112 . . . . 0.0 111.361 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.54 6.95 72.48 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -117.59 162.73 17.54 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.528 -0.983 . . . . 0.0 109.167 -170.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.91 140.13 53.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.955 -1.091 . . . . 0.0 111.441 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.28 127.24 40.03 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 -164.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -97.43 -173.07 2.55 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.071 -1.018 . . . . 0.0 111.674 -171.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -90.29 -43.72 10.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.307 -2.121 . . . . 0.0 111.193 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -60.67 -50.18 74.52 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-O 122.653 1.216 . . . . 0.0 114.136 175.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -83.38 -7.58 59.54 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.105 1.362 . . . . 0.0 113.893 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.0 t80 -71.84 -46.26 58.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.638 -1.914 . . . . 0.0 107.704 166.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -70.88 -16.84 62.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.577 -1.952 . . . . 0.0 110.982 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 12.3 ptpt -66.1 -48.12 71.95 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 162.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 36.5 pt -57.32 -44.73 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 124.639 1.175 . . . . 0.0 113.942 -174.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.78 -48.17 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 C-N-CA 124.445 1.098 . . . . 0.0 113.757 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -76.47 -54.07 7.23 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.895 -1.753 . . . . 0.0 113.576 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.322 5.9 pt-20 -82.75 12.93 4.2 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -165.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.1 mt -53.04 155.8 2.36 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.62 -1.3 . . . . 0.0 113.995 170.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.9 p -85.46 170.09 13.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.778 . . . . 0.0 110.945 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.66 -27.8 64.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.387 -2.071 . . . . 0.0 114.603 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.87 -34.42 76.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.076 -2.265 . . . . 0.0 114.561 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -65.09 -42.06 94.4 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.435 1.494 . . . . 0.0 112.345 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.05 -34.88 57.13 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.486 -1.384 . . . . 0.0 110.593 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -62.55 -31.82 72.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.305 -2.122 . . . . 0.0 112.401 166.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 m -67.63 -35.75 79.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 119.874 1.215 . . . . 0.0 114.133 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.63 -45.53 89.82 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.13 -1.606 . . . . 0.0 112.99 165.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.24 -38.33 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.153 1.381 . . . . 0.0 112.72 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.24 -44.48 71.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.114 -1.616 . . . . 0.0 114.382 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.84 -19.69 24.34 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 113.167 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.99 83.69 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.941 -1.724 . . . . 0.0 112.719 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.93 -59.2 2.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.758 -1.839 . . . . 0.0 114.514 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.53 -37.8 71.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.47 -1.394 . . . . 0.0 110.971 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -67.44 -55.36 15.57 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 125.286 1.422 . . . . 0.0 115.109 -174.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.332 0.0 OUTLIER -74.19 -44.37 53.6 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.381 -1.658 . . . . 0.0 109.181 -177.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.69 -42.06 92.12 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 120.782 1.628 . . . . 0.0 113.98 -170.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.02 -63.52 5.12 Favored Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 167.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 76' ' ' GLY . 18.4 m -65.55 -23.14 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 118.817 -2.578 . . . . 0.0 115.676 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -76.28 -27.11 56.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.675 -2.516 . . . . 0.0 113.087 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.91 -43.29 96.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.022 1.283 . . . . 0.0 109.622 168.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.86 -59.69 4.99 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.624 1.969 . . . . 0.0 109.298 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.77 -40.68 76.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.167 -1.583 . . . . 0.0 113.836 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.15 -46.05 89.05 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.089 -2.257 . . . . 0.0 116.445 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -71.66 -20.23 61.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.63 -1.919 . . . . 0.0 113.511 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 12.1 m-85 -80.51 -15.65 56.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.3 2.9 t . . . . . 0 N--CA 1.431 -1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 111.651 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . 0.417 ' O ' HG23 ' B' ' 8' ' ' VAL . 92.3 m-20 . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 tt -52.91 -53.06 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -27.5 67.73 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.139 1.775 . . . . 0.0 113.608 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 120.028 1.285 . . . . 0.0 112.654 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.434 HG21 HD11 ' B' ' 61' ' ' LEU . 3.6 t -61.88 -50.31 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 122.722 2.51 . . . . 0.0 109.927 173.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' B' ' 73' ' ' PHE . 18.7 ttt-85 -39.02 -58.22 1.15 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.487 3.115 . . . . 0.0 116.771 171.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.28 -20.91 59.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.125 -2.234 . . . . 0.0 116.883 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 mt -80.4 -23.73 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.558 -1.964 . . . . 0.0 111.346 174.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.75 -48.26 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 119.366 -2.084 . . . . 0.0 113.261 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.9 p -58.54 -50.55 73.38 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.37 -37.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 119.442 3.127 . . . . 0.0 119.442 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.33 -36.33 81.23 Favored 'General case' 0 N--CA 1.431 -1.399 1 O-C-N 112.287 -6.508 . . . . 0.0 112.362 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -66.1 -23.48 66.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 mm -59.65 -49.93 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.42 -2.05 . . . . 0.0 109.684 170.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.25 -38.98 88.63 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.932 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -66.4 -40.04 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 119.43 -2.044 . . . . 0.0 115.393 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -38.95 18.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 166.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -93.29 2.87 56.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.322 -2.111 . . . . 0.0 114.318 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t 71.75 44.35 0.5 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.21 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.14 50.86 1.5 Allowed 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.037 0.935 . . . . 0.0 109.86 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.341 0.1 OUTLIER -66.28 -10.93 47.21 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.31 -41.83 60.77 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.69 2.396 . . . . 0.0 117.206 165.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.64 -40.27 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.07 -2.268 . . . . 0.0 110.774 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.3 -40.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.651 1.98 . . . . 0.0 113.464 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.9 pt-20 -67.95 -13.59 62.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -164.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -124.58 127.93 48.13 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.623 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -47.84 -40.08 20.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 171.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.7 74.09 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.327 -2.108 . . . . 0.0 115.31 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -65.16 -32.27 73.88 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 122.265 1.031 . . . . 0.0 113.458 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.45 -53.5 34.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 113.902 173.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -52.25 -38.87 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 128.332 2.653 . . . . 0.0 115.315 166.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.55 93.63 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.131 -0.981 . . . . 0.0 110.617 173.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -41.14 96.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.149 1.38 . . . . 0.0 114.025 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.87 -42.78 68.97 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 112.922 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -72.56 -19.48 61.49 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.297 -1.502 . . . . 0.0 114.528 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -54.41 8.32 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.262 -2.149 . . . . 0.0 111.376 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 pt -80.07 -24.68 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-O 121.83 0.824 . . . . 0.0 112.02 -169.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.05 36.29 5.79 Favored Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.13 117.13 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-O 123.634 1.683 . . . . 0.0 110.067 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.0 p -99.56 152.67 19.77 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.844 2.058 . . . . 0.0 106.925 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.16 -99.88 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.833 -1.167 . . . . 0.0 112.769 159.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -85.0 46.1 1.24 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.971 -2.331 . . . . 0.0 111.935 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.74 -0.94 80.49 Favored Glycine 0 N--CA 1.43 -1.762 0 O-C-N 119.422 -2.048 . . . . 0.0 114.225 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -106.15 157.23 17.71 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.006 1.722 . . . . 0.0 110.08 -167.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.24 134.67 45.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.544 -0.722 . . . . 0.0 109.935 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 129.57 42.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -167.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -100.67 170.74 8.15 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.852 1.261 . . . . 0.0 109.205 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -73.33 -36.85 66.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.11 -0.994 . . . . 0.0 113.549 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -74.87 -42.48 57.81 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 123.587 1.66 . . . . 0.0 112.641 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -60.48 -36.17 77.66 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.542 -1.974 . . . . 0.0 114.885 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -56.28 -48.93 75.62 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-O 123.973 1.844 . . . . 0.0 113.356 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -75.44 -10.9 59.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.57 1.652 . . . . 0.0 112.906 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -82.74 -46.26 13.38 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 113.717 -3.193 . . . . 0.0 115.133 170.013 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.326 28.0 pt -53.12 -47.31 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.773 -2.454 . . . . 0.0 116.445 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 m -74.83 -34.32 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.75 -54.91 6.21 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -78.15 8.67 4.55 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -163.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.434 HD11 HG21 ' B' ' 8' ' ' VAL . 82.4 mt -57.02 149.44 19.04 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.844 -1.785 . . . . 0.0 115.707 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -80.9 173.92 12.13 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.604 1.192 . . . . 0.0 111.277 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -67.79 -44.36 77.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.089 -1.632 . . . . 0.0 110.873 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.39 -39.49 76.19 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.236 1.814 . . . . 0.0 112.259 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -61.81 -39.95 93.53 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 122.502 1.144 . . . . 0.0 113.582 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -77.74 -37.74 48.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.132 -0.98 . . . . 0.0 111.325 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -64.51 -34.15 77.55 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.204 -1.56 . . . . 0.0 109.094 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.9 m -63.42 -45.49 90.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 122.153 2.252 . . . . 0.0 110.66 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.89 -37.66 87.79 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 123.767 0.827 . . . . 0.0 113.204 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.65 -43.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 118.894 0.77 . . . . 0.0 112.184 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.1 -47.9 72.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -69.28 -42.58 75.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 122.923 1.344 . . . . 0.0 113.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' B' ' 9' ' ' ARG . 71.5 m-85 -115.74 60.58 0.71 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.08 -2.263 . . . . 0.0 110.687 -169.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -48.25 -71.77 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -63.28 -41.63 99.02 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 123.177 1.465 . . . . 0.0 113.487 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -55.19 20.42 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.266 1.412 . . . . 0.0 115.095 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.3 -19.36 50.65 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 119.79 1.795 . . . . 0.0 111.094 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.32 -58.02 10.35 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.704 1.593 . . . . 0.0 112.181 164.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.46 -67.21 2.33 Favored Glycine 0 N--CA 1.431 -1.695 0 CA-C-O 122.883 1.268 . . . . 0.0 115.005 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.22 -19.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 118.426 -2.808 . . . . 0.0 115.272 -165.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.44 -16.38 54.52 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.747 1.158 . . . . 0.0 111.698 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -60.38 -50.64 72.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 122.942 2.61 . . . . 0.0 113.434 157.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.04 -60.41 3.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.516 1.527 . . . . 0.0 109.48 -174.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.98 -49.53 20.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.303 1.441 . . . . 0.0 114.669 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.87 -50.45 70.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 124.151 0.907 . . . . 0.0 111.422 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 15.0 ptp -67.91 -24.81 65.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.757 -1.214 . . . . 0.0 114.21 -172.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.8 m-30 -78.93 -9.64 59.57 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.964 0.905 . . . . 0.0 113.226 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.433 0.2 OUTLIER . . . . . 0 N--CA 1.431 -1.406 0 CA-C-O 122.901 1.334 . . . . 0.0 111.594 177.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 6' ' ' ASP . 19.1 tt -65.27 -47.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 125.914 1.686 . . . . 0.0 112.502 -174.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 5' ' ' ILE . 72.3 m-20 -47.29 -45.89 24.46 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 170.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.9 m -79.63 -28.76 40.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.179 0.99 . . . . 0.0 111.748 177.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -64.92 -46.82 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.626 -1.921 . . . . 0.0 108.698 174.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -50.36 -45.74 55.34 Favored 'General case' 0 N--CA 1.43 -1.473 1 O-C-N 115.483 -4.511 . . . . 0.0 121.401 169.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -78.81 -20.61 49.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.657 -1.277 . . . . 0.0 110.811 -175.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.284 29.1 mt -79.24 -30.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.598 172.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.69 -45.87 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.42 2.288 . . . . 0.0 114.345 174.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 p -71.04 -35.76 72.1 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.0 111.263 -177.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -61.08 -38.62 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.185 1.394 . . . . 0.0 112.799 170.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.12 75.39 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.595 -1.941 . . . . 0.0 112.824 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -65.55 -21.25 66.59 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.214 -1.554 . . . . 0.0 114.932 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.519 HG21 HG21 ' B' ' 17' ' ' ILE . 1.1 mm -62.53 -50.08 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.71 1.604 . . . . 0.0 112.987 167.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -41.63 74.97 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.476 -1.39 . . . . 0.0 114.416 173.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 24' ' ' GLU . 32.5 mt -69.61 -31.74 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.024 0.93 . . . . 0.0 111.258 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.256 0.8 OUTLIER -55.46 -42.18 73.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.974 -2.329 . . . . 0.0 113.225 168.535 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -90.97 1.19 57.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.52 -2.612 . . . . 0.0 115.083 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.258 7.7 t 59.16 49.11 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -113.73 45.68 1.41 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.365 2.266 . . . . 0.0 110.321 170.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HB3' HG12 ' A' ' 19' ' ' ILE 0.278 1.0 OUTLIER -74.27 -14.1 60.86 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 124.374 2.035 . . . . 0.0 114.422 -173.674 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -54.16 -35.04 61.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 166.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.31 -40.4 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 124.386 2.041 . . . . 0.0 111.508 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.24 -33.04 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.114 2.566 . . . . 0.0 111.049 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 10.6 tm-20 -69.47 -14.18 62.74 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -124.05 121.0 34.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.001 -1.687 . . . . 0.0 110.886 176.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -30.4 -63.58 0.14 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.001 3.32 . . . . 0.0 116.894 169.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.51 -24.65 56.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.063 -1.648 . . . . 0.0 114.489 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -81.72 -27.69 33.77 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.649 -1.907 . . . . 0.0 108.25 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -64.52 -50.17 68.39 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.194 0.998 . . . . 0.0 112.842 171.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 mt -53.86 -39.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.922 2.489 . . . . 0.0 114.424 171.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.84 84.54 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.402 -1.436 . . . . 0.0 110.707 175.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.331 3.2 t80 -53.09 -47.14 68.77 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.312 1.845 . . . . 0.0 113.278 169.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.63 -41.17 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.606 1.562 . . . . 0.0 115.105 173.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -75.18 -22.38 58.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.335 -1.478 . . . . 0.0 114.252 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.49 -57.71 5.4 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 119.567 1.076 . . . . 0.0 108.507 173.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 pt -71.65 -17.97 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 123.846 0.859 . . . . 0.0 112.636 -173.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.5 46.41 5.22 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 125.5 1.524 . . . . 0.0 116.71 172.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.66 101.17 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.272 1.536 . . . . 0.0 109.619 173.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -97.63 120.61 38.32 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.028 0.918 . . . . 0.0 109.413 -177.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -65.3 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.32 -1.487 . . . . 0.0 114.716 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -87.56 42.61 1.05 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.018 -2.301 . . . . 0.0 110.605 -179.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.06 19.14 79.5 Favored Glycine 0 N--CA 1.43 -1.754 0 O-C-N 119.063 -2.273 . . . . 0.0 114.788 -166.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -118.77 148.31 42.95 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.523 -1.575 . . . . 0.0 107.349 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.54 128.8 36.68 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.438 -0.789 . . . . 0.0 111.197 170.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.87 128.5 34.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.802 1.287 . . . . 0.0 111.856 -150.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.95 153.23 18.99 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.406 -1.434 . . . . 0.0 110.886 -170.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.674 -1.891 . . . . 0.0 114.93 -176.106 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -71.39 -34.64 70.58 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.982 1.713 . . . . 0.0 113.52 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.1 m -84.22 -23.73 30.35 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.664 -1.272 . . . . 0.0 112.35 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.49 -52.49 61.08 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.957 1.703 . . . . 0.0 110.029 167.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -61.09 -30.37 70.31 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.918 -1.114 . . . . 0.0 112.589 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.339 12.3 ptpt -71.17 -41.37 70.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 169.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.342 13.8 pt -57.12 -45.04 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.889 -1.757 . . . . 0.0 114.498 173.356 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.08 -43.37 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -74.82 -50.1 18.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.041 -1.662 . . . . 0.0 115.102 -173.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.264 10.3 pt-20 -87.59 12.74 11.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 -168.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 mt -44.12 145.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.727 2.811 . . . . 0.0 115.087 178.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.8 p -84.57 164.52 18.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 109.433 -175.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.01 -39.53 74.9 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.205 -1.559 . . . . 0.0 111.95 173.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -68.38 -29.49 68.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.573 2.349 . . . . 0.0 114.138 176.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.87 -38.68 76.48 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.445 -2.035 . . . . 0.0 111.502 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.72 -54.15 7.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.699 2.0 . . . . 0.0 109.66 -177.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -44.59 -32.79 1.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.926 1.29 . . . . 0.0 114.327 164.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 m -77.41 -37.92 50.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.092 -2.255 . . . . 0.0 110.421 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.0 -30.31 50.04 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.681 -1.262 . . . . 0.0 110.041 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.81 -41.3 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.25 -0.907 . . . . 0.0 113.431 171.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -69.61 -39.22 77.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 175.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.2 -32.37 18.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.846 -1.784 . . . . 0.0 113.181 -172.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -122.2 63.09 0.94 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.663 1.585 . . . . 0.0 109.3 -172.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -57.01 -71.12 0.1 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -166.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.09 -42.3 89.52 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.117 1.767 . . . . 0.0 111.753 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -63.08 5.48 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 126.029 1.776 . . . . 0.0 115.137 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.292 3.0 t80 -72.68 -41.07 65.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 117.648 -1.168 . . . . 0.0 110.08 -171.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -46.72 -47.28 20.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.082 2.219 . . . . 0.0 115.999 171.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.55 -63.79 3.54 Favored Glycine 0 N--CA 1.429 -1.826 0 C-N-CA 124.045 0.831 . . . . 0.0 114.881 172.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.77 -22.61 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 118.709 -2.642 . . . . 0.0 113.688 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.43 -35.84 65.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.979 -1.701 . . . . 0.0 112.969 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -49.42 -44.21 45.16 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.723 2.056 . . . . 0.0 114.256 164.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -68.1 -52.01 39.9 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.205 1.002 . . . . 0.0 108.754 -176.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.74 -30.1 70.72 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.171 -2.83 . . . . 0.0 116.297 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.78 -64.37 0.87 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.617 -1.302 . . . . 0.0 108.614 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 ptp -57.29 -23.98 51.95 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.01 3.337 . . . . 0.0 120.01 -177.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.3 m-30 -89.07 3.53 51.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.203 1.365 . . . . 0.0 111.325 -174.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.429 -1.488 0 O-C-N 121.444 -0.785 . . . . 0.0 110.699 169.335 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.4 tt -41.13 -49.86 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.767 2.827 . . . . 0.0 115.358 170.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -56.65 -34.93 67.8 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.459 2.304 . . . . 0.0 113.567 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.53 -31.26 32.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 111.086 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.46 -42.73 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.489 -2.007 . . . . 0.0 111.698 170.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -52.85 -55.61 21.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 131.391 3.876 . . . . 0.0 114.099 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -67.47 -27.55 67.11 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.09 -27.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 120.365 -1.459 . . . . 0.0 113.112 173.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.07 -53.08 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 118.938 -2.351 . . . . 0.0 113.285 170.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -68.74 -39.74 80.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.037 0.935 . . . . 0.0 110.387 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.9 -36.4 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 167.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.32 -26.85 30.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.534 -1.979 . . . . 0.0 111.482 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.354 80.9 p -69.74 -22.73 63.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 168.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.611 HD11 HG13 ' A' ' 14' ' ' VAL . 21.1 mm -57.58 -53.59 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-N 120.866 1.667 . . . . 0.0 112.175 162.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 7.3 mt -64.66 -31.69 73.02 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.833 -175.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.76 -27.41 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.581 1.552 . . . . 0.0 110.451 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -51.01 71.64 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.02 1.328 . . . . 0.0 112.126 163.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.441 -1.412 . . . . 0.0 112.906 177.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.335 1.9 t 91.7 35.64 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.211 2.205 . . . . 0.0 111.286 169.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -118.99 57.02 0.89 Allowed 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 127.856 2.463 . . . . 0.0 110.681 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.56 -16.56 56.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 176.001 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -19.49 -53.32 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 129.39 3.076 . . . . 0.0 119.277 156.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -77.62 -36.26 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 124.671 1.189 . . . . 0.0 112.631 -177.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 t -67.92 -41.31 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 126.426 1.89 . . . . 0.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -54.98 -28.99 55.97 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 129.787 3.235 . . . . 0.0 116.052 -178.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -122.27 118.75 29.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.37 -1.457 . . . . 0.0 111.156 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -46.14 68.93 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.81 -27.86 66.23 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.401 -2.062 . . . . 0.0 115.433 -178.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.33 -31.04 30.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -62.15 -50.09 73.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.277 1.431 . . . . 0.0 112.722 170.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.415 ' HA ' ' HG ' ' B' ' 37' ' ' LEU . 37.7 mt -55.44 -39.04 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 128.036 2.534 . . . . 0.0 114.356 172.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.76 73.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.764 -1.21 . . . . 0.0 108.882 176.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 6.3 t80 -57.35 -40.62 78.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.967 2.507 . . . . 0.0 110.76 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' B' ' 34' ' ' ILE . 10.1 mt -55.67 -44.12 76.96 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 121.406 1.912 . . . . 0.0 114.119 172.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -68.66 -34.06 75.06 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.066 -1.646 . . . . 0.0 114.256 172.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.96 -49.46 70.24 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.463 -1.398 . . . . 0.0 114.74 173.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 pt -79.43 -25.44 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.032 -1.668 . . . . 0.0 110.685 -174.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.55 49.36 3.68 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -176.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.87 127.26 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 118.519 1.159 . . . . 0.0 109.848 157.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -118.31 149.48 41.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.48 1.912 . . . . 0.0 107.884 176.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.268 36.4 t60 -77.93 -103.07 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 111.528 174.163 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -87.66 51.51 2.24 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.248 -1.532 . . . . 0.0 109.94 -174.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.04 5.33 58.19 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.448 -1.407 . . . . 0.0 115.192 -169.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -123.95 171.41 9.74 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 119.673 1.737 . . . . 0.0 109.452 -173.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -72.98 136.82 45.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.39 124.28 34.82 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.491 -1.38 . . . . 0.0 111.755 -168.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.78 164.84 11.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.749 1.62 . . . . 0.0 111.726 -167.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.59 -43.29 69.68 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.03 -1.669 . . . . 0.0 112.374 -177.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -73.94 -38.49 64.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.94 -1.1 . . . . 0.0 113.256 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -76.3 -23.09 54.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.499 -1.375 . . . . 0.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -48.2 77.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.975 1.369 . . . . 0.0 110.803 168.29 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -66.4 -30.06 70.35 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.77 -1.206 . . . . 0.0 114.16 -177.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.335 0.1 OUTLIER -63.24 -52.15 63.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 164.741 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 57' ' ' ILE 0.322 28.8 pt -53.19 -47.75 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 120.756 1.616 . . . . 0.0 115.088 179.392 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.19 -28.91 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.678 -1.889 . . . . 0.0 115.809 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -90.39 -51.29 5.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.139 -1.6 . . . . 0.0 115.227 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.366 8.0 pt-20 -84.2 10.93 9.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -164.552 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.17 154.92 2.85 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.822 -1.173 . . . . 0.0 113.435 166.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -94.07 173.71 7.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.092 -1.63 . . . . 0.0 109.159 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.15 -44.72 94.77 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.289 -1.507 . . . . 0.0 111.966 172.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -56.23 -45.35 80.01 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 173.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.8 -35.19 79.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.607 1.563 . . . . 0.0 112.693 177.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -75.05 -46.51 34.38 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.467 -1.396 . . . . 0.0 108.736 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -34.69 58.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 167.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 73.0 m -61.77 -40.13 94.1 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -77.38 -39.53 46.96 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.531 -1.356 . . . . 0.0 112.595 175.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 73.8 mt -52.36 -42.07 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.042 1.337 . . . . 0.0 113.157 171.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -66.39 -42.21 88.24 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -87.64 -36.08 17.67 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.029 -1.669 . . . . 0.0 112.072 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.47 60.98 0.75 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.99 1.716 . . . . 0.0 110.072 -171.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -52.45 -64.98 0.64 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.024 1.393 . . . . 0.0 114.177 -173.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -39.05 89.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.143 -1.598 . . . . 0.0 114.358 -179.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.59 15.16 Favored Glycine 0 N--CA 1.43 -1.748 0 O-C-N 121.155 -0.966 . . . . 0.0 114.172 -175.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.47 -24.31 61.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.515 1.158 . . . . 0.0 108.979 -174.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.82 -58.1 9.61 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 118.941 -2.35 . . . . 0.0 112.982 169.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.36 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.672 0 O-C-N 120.64 -1.288 . . . . 0.0 113.517 174.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -66.22 -26.26 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.581 -2.129 . . . . 0.0 115.659 -172.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.54 -11.83 59.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.099 2.682 . . . . 0.0 112.968 177.225 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -64.28 -49.86 70.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.474 -2.641 . . . . 0.0 113.071 158.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.77 -61.57 2.21 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.624 2.37 . . . . 0.0 107.945 -171.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 88.2 mt -47.44 -38.57 13.77 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -74.93 -36.48 62.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.178 -1.577 . . . . 0.0 111.344 -175.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 16.0 ptp -78.18 -28.96 48.3 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.356 -175.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.47 -2.74 57.73 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.803 -1.186 . . . . 0.0 111.371 -175.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.344 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 170.009 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.425 HD22 HD23 ' A' ' 61' ' ' LEU . 0.8 OUTLIER . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 6' ' ' ASP . 20.0 tt -58.49 -52.58 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 127.415 2.286 . . . . 0.0 112.453 -173.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.413 ' N ' HG23 ' A' ' 5' ' ' ILE . 15.8 m-20 -48.82 -34.88 13.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.782 2.433 . . . . 0.0 114.146 176.646 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 m -84.27 -47.17 11.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.662 -2.524 . . . . 0.0 110.668 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG21 HD21 ' A' ' 61' ' ' LEU . 1.7 t -37.78 -52.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.61 -1.932 . . . . 0.0 115.773 161.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -51.45 -42.55 61.64 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 129.085 2.954 . . . . 0.0 116.603 176.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.72 -45.37 37.06 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.631 -1.918 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.465 ' H ' HG13 ' A' ' 11' ' ' ILE . 3.7 mt -59.95 -24.8 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 169.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.34 -48.0 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 117.305 -3.372 . . . . 0.0 112.628 172.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -63.92 -54.89 27.64 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.228 -1.545 . . . . 0.0 112.427 175.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.623 HG13 HD11 ' B' ' 17' ' ' ILE . 7.1 t -37.6 -35.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 118.749 2.87 . . . . 0.0 118.749 163.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.57 44.33 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 121.573 -0.704 . . . . 0.0 110.958 178.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.261 85.4 p -71.37 -6.29 38.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.2 -2.188 . . . . 0.0 115.276 172.311 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' B' ' 17' ' ' ILE . 2.7 mm -68.83 -55.98 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 118.93 -2.356 . . . . 0.0 107.641 167.233 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.58 -26.52 61.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 176.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -84.23 -25.92 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.472 -0.767 . . . . 0.0 111.838 174.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -43.27 76.36 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 118.938 -2.351 . . . . 0.0 113.596 163.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -83.66 -27.26 29.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 86.34 50.97 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.336 2.254 . . . . 0.0 110.115 -169.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -129.77 40.95 3.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.091 1.756 . . . . 0.0 107.15 177.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -76.51 -5.17 46.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.706 2.003 . . . . 0.0 113.307 177.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.49 -57.81 9.36 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 131.14 3.776 . . . . 0.0 111.591 164.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 26' ' ' ILE . 17.1 mt -47.09 -51.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 128.097 2.559 . . . . 0.0 114.913 166.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 t -57.45 -50.89 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 126.252 1.821 . . . . 0.0 111.948 -179.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.331 0.0 OUTLIER -38.06 -25.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 122.466 4.247 . . . . 0.0 122.466 175.454 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -119.42 133.63 55.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.15 -1.593 . . . . 0.0 111.278 172.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 ttp85 -51.54 -50.83 59.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.504 2.721 . . . . 0.0 112.239 173.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.71 73.48 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -175.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -62.23 -38.71 90.23 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.106 1.362 . . . . 0.0 111.672 171.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -59.83 -55.16 37.71 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.552 1.941 . . . . 0.0 111.035 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -53.31 -45.06 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.42 2.688 . . . . 0.0 115.258 172.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -43.41 98.9 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.864 -1.773 . . . . 0.0 114.086 173.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -58.7 -31.49 68.3 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.482 1.913 . . . . 0.0 112.884 169.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.59 -50.93 63.29 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.821 -1.174 . . . . 0.0 111.743 171.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.14 -42.25 76.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 173.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.57 -62.76 1.45 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.051 1.741 . . . . 0.0 113.737 167.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 17' ' ' ILE 0.292 16.3 pt -68.6 -32.68 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-O 122.754 1.264 . . . . 0.0 113.38 -172.308 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 20.56 12.7 Favored Glycine 0 N--CA 1.429 -1.782 0 C-N-CA 127.596 2.522 . . . . 0.0 114.512 170.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.76 97.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 123.904 1.812 . . . . 0.0 113.766 169.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -56.93 164.88 1.41 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 161.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.379 27.7 t60 -93.71 -120.34 0.09 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 111.772 -2.467 . . . . 0.0 112.333 144.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 130.699 3.599 . . . . 0.0 120.612 169.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.8 12.89 55.29 Favored Glycine 0 N--CA 1.43 -1.76 1 C-N-CA 131.377 4.322 . . . . 0.0 113.556 -166.498 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -97.14 143.57 27.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.767 -2.216 . . . . 0.0 115.103 170.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -66.25 125.5 25.78 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.754 0.822 . . . . 0.0 112.284 -172.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 119.3 19.93 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -160.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -86.78 158.79 19.31 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.834 2.054 . . . . 0.0 112.388 -172.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.45 -48.4 70.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.993 -1.692 . . . . 0.0 114.68 -178.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.62 -60.3 4.02 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.05 -1.656 . . . . 0.0 115.423 168.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -64.38 -16.15 61.77 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -55.26 -60.64 3.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 117.642 -3.161 . . . . 0.0 114.125 154.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -57.38 -21.9 39.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -69.07 -56.05 8.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 114.29 162.651 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.337 35.5 pt -47.48 -46.84 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 178.668 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.03 -42.34 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 m -74.92 -68.96 0.5 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -177.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.305 5.9 pt-20 -49.61 11.06 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 121.037 3.718 . . . . 0.0 121.037 -178.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 HD22 ' A' ' 4' ' ' ASN . 87.7 mt -60.32 131.37 50.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.423 1.489 . . . . 0.0 111.788 172.182 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 p -74.92 160.06 31.07 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 122.32 1.057 . . . . 0.0 111.317 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -45.82 -44.09 13.9 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.654 1.582 . . . . 0.0 113.615 167.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.78 -45.86 90.69 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.973 1.709 . . . . 0.0 115.194 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -58.49 -41.08 84.54 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 123.515 0.726 . . . . 0.0 111.618 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -78.74 -39.82 35.13 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.263 1.825 . . . . 0.0 110.96 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -43.28 63.67 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.618 1.167 . . . . 0.0 110.581 165.229 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -65.95 -33.07 74.99 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.21 -31.33 65.77 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.78 -53.41 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 126.297 1.839 . . . . 0.0 111.635 178.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -59.56 -44.07 93.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.383 -2.073 . . . . 0.0 112.909 176.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.73 -45.42 61.82 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.294 -1.321 . . . . 0.0 112.131 -176.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.52 43.26 2.67 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.003 -2.311 . . . . 0.0 116.901 -177.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -27.28 -61.81 0.09 Allowed 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 123.544 4.646 . . . . 0.0 123.544 -176.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.73 -32.05 41.13 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 118.632 -2.542 . . . . 0.0 110.213 -170.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -83.04 -44.29 7.16 Favored Glycine 0 N--CA 1.43 -1.74 0 N-CA-C 106.031 -2.828 . . . . 0.0 106.031 -162.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.27 39.0 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 -172.171 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -54.93 -46.75 74.98 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 169.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.4 -59.24 4.25 Favored Glycine 0 N--CA 1.43 -1.747 1 C-N-CA 113.877 -4.011 . . . . 0.0 115.08 178.273 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 76' ' ' GLY 0.313 3.5 m -57.35 -21.05 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 174.054 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -72.12 -28.05 63.02 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 122.437 2.381 . . . . 0.0 113.847 170.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -64.46 -39.76 94.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 115.905 -2.318 . . . . 0.0 110.992 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.92 -19.64 61.23 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -93.88 -6.32 45.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.456 -2.653 . . . . 0.0 109.256 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.16 -75.08 0.37 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.735 166.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.327 14.7 ptp -48.02 -41.39 25.49 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -165.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 6.6 m-85 -74.79 -5.44 43.46 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 173.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.306 8.9 t . . . . . 0 N--CA 1.431 -1.414 0 CA-C-N 121.173 1.806 . . . . 0.0 111.364 175.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 tt -59.26 -49.47 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.386 1.874 . . . . 0.0 114.846 -177.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.15 -45.96 92.5 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.2 m -59.79 -42.14 92.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.671 -1.893 . . . . 0.0 114.826 168.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 t -57.02 -40.26 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.996 -1.69 . . . . 0.0 111.375 173.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -62.77 -47.28 84.17 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 129.876 3.27 . . . . 0.0 115.42 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.18 -33.62 73.67 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 123.152 1.453 . . . . 0.0 111.541 177.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.255 61.0 mt -69.71 -41.42 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 113.578 175.24 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.7 mt -48.37 -53.12 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 127.134 2.173 . . . . 0.0 114.582 168.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -65.64 -33.95 77.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.575 1.55 . . . . 0.0 112.963 -177.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 17' ' ' ILE . 5.2 t -61.91 -51.3 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.4 1.88 . . . . 0.0 113.948 164.449 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.12 95.81 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 117.556 -3.215 . . . . 0.0 115.898 176.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.347 20.6 p -55.22 -22.44 17.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 168.169 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' A' ' 17' ' ' ILE . 8.8 mm -60.04 -53.54 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 CA-C-N 120.254 1.388 . . . . 0.0 112.239 163.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.28 -49.96 75.31 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.321 -1.487 . . . . 0.0 113.179 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -53.7 -38.14 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.958 -1.714 . . . . 0.0 115.231 168.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.311 0.0 OUTLIER -54.27 -45.81 72.52 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.598 1.559 . . . . 0.0 112.864 170.729 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -85.12 7.74 20.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.688 1.995 . . . . 0.0 115.67 174.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 62.93 37.22 12.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.925 -1.734 . . . . 0.0 114.545 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -112.63 56.69 0.67 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.208 1.403 . . . . 0.0 109.385 174.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.371 0.0 OUTLIER -73.0 -20.5 61.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.704 -1.247 . . . . 0.0 113.8 171.027 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -49.19 -38.07 24.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.627 2.371 . . . . 0.0 113.145 165.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mt -76.84 -30.32 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 111.889 -3.924 . . . . 0.0 112.364 177.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.36 -28.23 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.287 -167.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.2 pt-20 -69.65 1.94 3.71 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -171.317 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -134.55 135.63 42.44 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.173 -1.58 . . . . 0.0 106.954 177.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -71.38 -48.15 51.82 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.481 -2.012 . . . . 0.0 113.267 -177.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.45 33.0 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.447 -3.283 . . . . 0.0 119.69 175.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.82 -25.05 18.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 121.991 0.901 . . . . 0.0 110.938 169.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -70.28 -55.15 9.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.557 1.143 . . . . 0.0 108.799 173.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' B' ' 51' ' ' GLN . 13.4 mt -50.26 -50.32 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.477 2.711 . . . . 0.0 114.628 169.439 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.04 19.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 171.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.419 ' HA ' ' HB2' ' B' ' 39' ' ' GLU . 1.1 t80 -85.35 -24.82 27.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.984 0.914 . . . . 0.0 113.12 172.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.9 -38.17 67.0 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.956 -2.34 . . . . 0.0 110.015 176.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.27 -58.45 8.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.9 1.28 . . . . 0.0 112.041 168.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 36' ' ' PHE . 21.4 mm-40 -36.35 -47.07 0.58 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -96.77 -33.13 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.268 -1.52 . . . . 0.0 111.507 -175.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 57.35 1.22 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -172.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -97.55 118.36 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 160.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -125.39 158.94 33.05 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.039 2.135 . . . . 0.0 114.596 -171.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.402 ' CD2' ' CD ' ' B' ' 45' ' ' GLU . 7.3 t60 -82.2 -92.19 0.06 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.471 -177.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' CD2' ' B' ' 44' ' ' HIS . 7.6 mp0 -92.14 46.13 1.25 Allowed 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 117.32 -1.752 . . . . 0.0 108.382 -166.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.96 6.42 87.31 Favored Glycine 0 N--CA 1.43 -1.739 0 C-N-CA 127.509 2.481 . . . . 0.0 114.304 -167.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -125.28 154.75 41.24 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.259 2.03 . . . . 0.0 108.832 -165.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.12 134.35 53.57 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.548 -1.345 . . . . 0.0 110.792 -168.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 144.08 26.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -153.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -100.27 161.99 13.25 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -173.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' B' ' 34' ' ' ILE . 67.2 mt-30 -72.66 -49.67 30.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.103 1.32 . . . . 0.0 112.799 173.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.7 -66.76 0.33 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.049 -1.657 . . . . 0.0 114.494 169.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -18.11 0.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.809 2.522 . . . . 0.0 117.809 168.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.413 ' CZ ' HG11 ' B' ' 58' ' ' VAL . 68.1 t80 -82.85 -32.1 27.66 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.573 -3.204 . . . . 0.0 110.84 174.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -79.92 -18.02 51.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.427 1.639 . . . . 0.0 115.427 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -53.3 15.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.734 -1.229 . . . . 0.0 111.927 163.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.264 10.1 pt -54.66 -46.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.413 HG11 ' CZ ' ' B' ' 54' ' ' PHE . 26.8 m -75.44 -31.77 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -172.088 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -77.5 -71.02 0.44 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 175.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -47.32 -6.39 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 -173.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 mt -40.12 136.08 1.25 Allowed 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.23 -2.169 . . . . 0.0 114.872 165.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . 0.262 23.4 p -82.4 177.86 8.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 122.915 1.34 . . . . 0.0 109.298 -178.282 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.6 -20.89 65.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.475 -2.016 . . . . 0.0 110.35 167.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.43 -49.33 9.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.039 -2.288 . . . . 0.0 108.373 -173.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -44.22 -43.86 7.48 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.533 2.79 . . . . 0.0 118.533 166.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -83.95 -30.42 26.29 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 118.361 -2.712 . . . . 0.0 106.627 -174.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -31.32 68.08 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.455 -2.028 . . . . 0.0 109.251 176.237 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -60.43 -37.98 82.62 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 163.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 mt -85.36 -4.52 59.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.479 -1.388 . . . . 0.0 111.382 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.44 -23.22 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 121.187 -0.946 . . . . 0.0 108.455 173.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.33 -57.11 3.51 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.971 -2.331 . . . . 0.0 106.848 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.63 -22.2 57.04 Favored 'General case' 0 N--CA 1.429 -1.475 1 N-CA-C 125.112 5.227 . . . . 0.0 125.112 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.15 54.55 1.43 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 121.253 1.842 . . . . 0.0 107.703 -170.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -44.87 -68.59 0.19 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.484 2.313 . . . . 0.0 116.49 -166.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.58 -53.5 11.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.515 1.526 . . . . 0.0 109.702 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.82 -68.22 0.8 Allowed Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 127.174 2.321 . . . . 0.0 115.344 178.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.346 1.1 t80 -64.39 -53.8 42.79 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.21 -178.044 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -38.33 -44.33 0.89 Allowed 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.48 3.53 Favored Glycine 0 N--CA 1.429 -1.773 0 CA-C-O 122.367 0.982 . . . . 0.0 113.214 174.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.66 -19.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.181 -2.364 . . . . 0.0 113.912 -174.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -83.19 -19.6 36.23 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.242 2.217 . . . . 0.0 115.617 174.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.94 -33.44 73.73 Favored 'General case' 0 N--CA 1.429 -1.481 1 C-N-CA 108.617 -5.233 . . . . 0.0 116.614 154.217 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.43 -56.44 7.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 125.757 1.911 . . . . 0.0 107.589 -171.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . 0.324 82.7 mt -67.58 -23.35 65.38 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 117.064 -3.522 . . . . 0.0 115.239 177.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.98 -49.86 14.5 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 116.98 -1.888 . . . . 0.0 110.407 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.28 4.8 ptp -54.68 -19.64 6.59 Favored 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 124.236 4.902 . . . . 0.0 124.236 165.492 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 16.1 m-85 -95.79 0.07 51.89 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 120.276 -1.515 . . . . 0.0 110.021 -176.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.335 5.0 t . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 123.269 1.509 . . . . 0.0 112.164 174.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.43 -1.435 0 CA-C-O 120.892 0.377 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -48.75 -47.37 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 C-N-CA 126.307 1.843 . . . . 0.0 115.961 170.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.34 -54.56 44.08 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.716 1.606 . . . . 0.0 112.368 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 83.9 m -67.29 -29.92 69.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.665 -1.272 . . . . 0.0 114.16 175.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 t -61.81 -46.02 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.888 -2.382 . . . . 0.0 111.896 171.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -51.36 -54.59 24.93 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.373 2.669 . . . . 0.0 112.821 178.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -72.03 -19.16 61.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.736 -1.853 . . . . 0.0 115.148 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' CG1' HG11 ' A' ' 42' ' ' VAL . 50.6 mt -80.19 -37.23 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.693 -1.879 . . . . 0.0 110.13 173.085 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mt -52.14 -42.14 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 127.401 2.281 . . . . 0.0 114.96 171.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.421 HG21 HG22 ' B' ' 42' ' ' VAL . 2.5 p -68.08 -54.0 21.4 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.815 -1.178 . . . . 0.0 110.026 -179.414 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 t -49.79 -45.98 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.665 1.986 . . . . 0.0 115.886 169.387 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.63 91.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.77 -1.831 . . . . 0.0 111.503 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -20.74 66.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 172.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' B' ' 17' ' ' ILE . 2.9 mm -67.66 -46.74 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.187 1.795 . . . . 0.0 110.47 174.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 mp -60.64 -34.99 75.1 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.075 0.95 . . . . 0.0 112.032 176.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.3 mt -73.02 -27.0 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.683 -1.261 . . . . 0.0 112.96 176.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.184 1.393 . . . . 0.0 111.695 169.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -95.99 8.57 43.34 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.95 -1.719 . . . . 0.0 114.825 177.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 74.6 9.34 4.26 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -93.38 43.81 1.12 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.541 1.936 . . . . 0.0 113.104 -176.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -63.55 -21.25 66.23 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 177.063 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.18 -40.7 7.45 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 168.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.73 -42.19 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 126.147 1.779 . . . . 0.0 110.48 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.25 -37.87 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.318 1.047 . . . . 0.0 111.633 175.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -70.33 -20.52 62.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.939 2.496 . . . . 0.0 114.492 -175.172 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -110.43 105.58 14.61 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.13 1.372 . . . . 0.0 107.651 -179.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -42.2 -56.07 3.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.688 3.195 . . . . 0.0 114.079 177.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.4 -51.43 44.07 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -178.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.03 -34.31 20.95 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.675 1.59 . . . . 0.0 113.384 170.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.68 -51.6 66.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 170.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 128.834 2.853 . . . . 0.0 114.008 175.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.0 86.53 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 125.786 1.634 . . . . 0.0 113.665 169.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 3.7 t80 -69.35 -39.55 78.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.364 1.466 . . . . 0.0 110.72 176.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.44 -49.03 73.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.085 1.354 . . . . 0.0 113.146 171.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -71.28 -31.68 67.78 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.711 -1.868 . . . . 0.0 114.512 176.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.72 -56.61 15.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 167.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 HD12 ' B' ' 17' ' ' ILE 0.258 0.2 OUTLIER -84.21 -15.91 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 120.66 -1.275 . . . . 0.0 113.534 -175.117 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.11 42.73 4.89 Favored Glycine 0 N--CA 1.431 -1.67 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.9 t -83.87 108.42 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 164.046 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.0 p -119.13 126.95 52.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -169.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -67.59 -71.1 0.22 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.485 -2.01 . . . . 0.0 114.422 -171.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.96 41.74 1.3 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.337 -1.477 . . . . 0.0 109.682 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.96 23.35 63.54 Favored Glycine 0 N--CA 1.429 -1.79 0 N-CA-C 117.017 1.567 . . . . 0.0 117.017 -170.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -121.76 179.0 4.63 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 119.356 1.578 . . . . 0.0 107.152 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.52 138.35 48.83 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.375 -1.453 . . . . 0.0 111.889 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.67 121.15 40.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.832 1.301 . . . . 0.0 108.871 -167.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.67 168.5 10.63 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.514 1.125 . . . . 0.0 110.782 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -74.47 -40.06 62.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.496 -1.377 . . . . 0.0 111.901 179.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -67.93 -52.37 36.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.224 -0.922 . . . . 0.0 111.885 171.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.5 m -67.61 -15.09 63.47 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.92 -50.48 49.01 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.749 1.738 . . . . 0.0 110.06 170.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -64.54 -30.42 71.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.758 -1.839 . . . . 0.0 112.497 -176.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -65.95 -28.92 69.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 167.116 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.355 22.3 pt -67.21 -53.55 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 119.78 -1.825 . . . . 0.0 112.225 172.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.58 -40.48 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -173.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -75.41 -44.59 43.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -93.21 11.54 27.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 -164.29 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.65 140.95 10.38 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.832 -1.168 . . . . 0.0 113.923 171.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.0 p -86.88 178.51 6.95 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.593 1.557 . . . . 0.0 109.285 -176.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.24 -46.89 81.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.524 -1.985 . . . . 0.0 111.144 169.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 2.4 mp0 -46.26 -40.11 11.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.613 2.82 . . . . 0.0 118.613 170.292 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.34 -37.79 71.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.284 -1.51 . . . . 0.0 113.302 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.77 -28.15 30.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.88 -1.138 . . . . 0.0 111.616 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -44.75 95.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.007 2.123 . . . . 0.0 109.536 171.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.8 m -56.55 -39.49 73.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.796 1.238 . . . . 0.0 114.316 172.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.1 -37.87 64.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.018 -1.676 . . . . 0.0 113.784 174.409 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.44 -38.42 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.472 1.909 . . . . 0.0 113.518 174.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.2 -48.17 82.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.286 -1.509 . . . . 0.0 115.055 172.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -94.99 -20.12 19.63 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -166.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -134.05 64.42 1.6 Allowed 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.398 -2.064 . . . . 0.0 107.109 -170.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -55.27 -71.89 0.08 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.603 1.561 . . . . 0.0 114.868 -163.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.09 -42.63 75.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 112.993 176.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -66.48 -43.86 91.46 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 124.773 1.177 . . . . 0.0 114.341 -168.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.36 0.1 OUTLIER -76.32 -43.52 40.89 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.818 177.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -49.0 -47.91 43.92 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.223 2.283 . . . . 0.0 115.854 -178.013 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.56 -59.66 6.99 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 114.386 0.515 . . . . 0.0 114.386 174.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.6 m -66.77 -26.91 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.888 -1.948 . . . . 0.0 113.438 -172.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -68.11 -42.53 80.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.453 -1.404 . . . . 0.0 113.695 177.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -46.86 -45.24 20.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.194 1.816 . . . . 0.0 115.423 166.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.18 -54.63 30.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.514 1.526 . . . . 0.0 107.945 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.83 -30.86 64.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 174.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -71.37 -65.6 0.73 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.267 1.394 . . . . 0.0 111.634 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.9 ptp -54.58 -28.3 45.1 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -175.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 15.7 m-85 -80.9 -4.72 55.85 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.333 1.053 . . . . 0.0 113.068 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 CA-C-O 122.605 1.193 . . . . 0.0 109.234 173.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -61.29 -41.44 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 127.351 2.26 . . . . 0.0 112.09 -176.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.13 -31.07 69.5 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 123.968 0.907 . . . . 0.0 111.764 -177.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -38.89 92.0 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.379 -1.45 . . . . 0.0 112.827 169.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.2 -35.62 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 120.307 -1.496 . . . . 0.0 109.401 179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -45.75 62.75 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.995 2.918 . . . . 0.0 114.586 -171.738 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -64.09 -37.28 86.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.671 -1.268 . . . . 0.0 113.875 168.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mt -76.8 -24.54 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.269 -2.77 . . . . 0.0 114.119 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.89 -49.63 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.18 -2.2 . . . . 0.0 112.019 173.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.6 p -67.18 -33.26 75.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.182 1.793 . . . . 0.0 113.265 178.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 17' ' ' ILE . 7.2 t -63.34 -47.54 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 124.822 1.249 . . . . 0.0 113.934 167.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.35 -33.05 49.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.838 -2.414 . . . . 0.0 113.931 -176.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.55 ' HB3' HG11 ' B' ' 80' ' ' VAL . 89.9 p -66.76 -22.54 66.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.92 -1.737 . . . . 0.0 114.428 168.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.47 -50.54 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-N 120.058 1.299 . . . . 0.0 113.301 156.402 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.405 ' CD1' HG22 ' B' ' 17' ' ' ILE . 2.4 mp -59.42 -42.25 91.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.313 -1.492 . . . . 0.0 112.871 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.401 HD12 HG12 ' B' ' 80' ' ' VAL . 22.5 mt -66.03 -36.34 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.444 -1.41 . . . . 0.0 113.999 171.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -54.45 -44.52 72.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.949 -1.72 . . . . 0.0 112.825 169.606 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' B' ' 17' ' ' ILE . 22.8 m-85 -85.77 11.56 10.84 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.625 1.57 . . . . 0.0 114.272 176.355 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 54.16 41.22 32.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.161 2.584 . . . . 0.0 115.778 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -111.21 52.78 0.73 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.418 1.487 . . . . 0.0 110.481 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER -75.42 -13.16 60.37 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.24 -25.38 67.03 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.592 -1.317 . . . . 0.0 113.604 166.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.9 -50.34 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.861 -1.775 . . . . 0.0 110.08 169.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.51 -37.6 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.434 1.493 . . . . 0.0 114.166 -174.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.9 tt0 -53.43 -23.73 10.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 173.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.24 109.61 19.39 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.985 -1.697 . . . . 0.0 110.568 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -36.81 -61.45 0.54 Allowed 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 129.473 3.109 . . . . 0.0 113.939 169.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.83 91.44 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.776 -1.827 . . . . 0.0 115.632 -177.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -61.17 -31.6 71.34 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 119.923 1.238 . . . . 0.0 113.156 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.52 -52.01 55.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.666 1.586 . . . . 0.0 112.675 174.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.8 -38.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.767 3.227 . . . . 0.0 114.18 170.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.75 72.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.458 1.123 . . . . 0.0 108.566 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.333 1.7 t80 -60.85 -33.03 72.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 171.079 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.75 -33.8 76.47 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.164 -2.835 . . . . 0.0 114.327 172.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -72.5 -27.37 62.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.516 -1.365 . . . . 0.0 113.08 171.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.2 -58.09 4.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.823 1.249 . . . . 0.0 113.299 176.205 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.483 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -83.27 -19.13 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.889 -1.757 . . . . 0.0 111.927 -171.71 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 32.47 7.06 Favored Glycine 0 N--CA 1.429 -1.795 0 O-C-N 120.56 -1.337 . . . . 0.0 115.36 172.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 HD11 ' B' ' 40' ' ' ILE . 60.6 t -70.88 101.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.163 1.459 . . . . 0.0 110.072 166.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -115.39 120.61 40.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.356 1.862 . . . . 0.0 108.353 -173.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -66.32 -78.47 0.05 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -172.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -95.15 39.1 1.12 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.471 -2.018 . . . . 0.0 110.284 175.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 17.05 78.48 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.399 -1.438 . . . . 0.0 114.659 -168.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -119.68 156.61 30.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.644 -1.504 . . . . 0.0 109.697 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -62.38 131.65 49.97 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.68 1.592 . . . . 0.0 113.129 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 120.61 24.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.578 1.656 . . . . 0.0 112.815 -175.232 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -94.5 163.65 13.31 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.067 1.747 . . . . 0.0 112.137 -176.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.59 -34.37 69.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -77.28 -33.88 55.71 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.398 -1.439 . . . . 0.0 111.601 175.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.0 m -74.21 -30.96 62.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.979 1.312 . . . . 0.0 112.922 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -58.35 -48.87 79.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 123.793 1.759 . . . . 0.0 112.417 168.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 -66.37 -33.64 76.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.656 -1.277 . . . . 0.0 112.904 -177.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -65.7 -49.33 68.93 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.243 -1.535 . . . . 0.0 113.974 168.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 33.6 pt -53.34 -45.18 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 120.326 1.421 . . . . 0.0 114.444 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.6 -42.85 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -87.59 -43.91 11.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -174.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.04 7.83 4.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.476 1.943 . . . . 0.0 115.25 -169.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.54 144.61 30.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.056 1.342 . . . . 0.0 113.01 176.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.1 p -86.18 170.1 12.46 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.3 -39.11 85.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.203 -1.561 . . . . 0.0 112.591 172.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.07 -39.18 88.89 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 173.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.35 -44.4 96.58 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.262 -1.524 . . . . 0.0 112.541 174.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -76.01 -39.93 54.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.774 1.229 . . . . 0.0 111.02 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.13 67.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 113.174 163.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 74.8 m -64.91 -40.17 94.67 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.465 -0.772 . . . . 0.0 111.737 -178.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.3 -48.72 72.15 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.977 -1.077 . . . . 0.0 113.42 172.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.22 -48.15 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.151 1.78 . . . . 0.0 114.129 171.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.87 -34.25 76.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -100.61 -41.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -175.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -102.3 56.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 119.466 -2.021 . . . . 0.0 112.058 -171.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -41.03 -72.65 0.06 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -173.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.84 -62.61 1.39 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 113.874 -170.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -48.98 -55.74 11.18 Favored Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 174.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.612 2.206 . . . . 0.0 110.67 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -55.2 -57.73 10.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.088 1.767 . . . . 0.0 111.53 169.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.66 -68.75 1.53 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 121.68 -0.637 . . . . 0.0 114.08 175.198 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.55 HG11 ' HB3' ' B' ' 16' ' ' SER . 5.5 m -63.2 -25.08 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 O-C-N 120.082 -1.834 . . . . 0.0 115.883 -171.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.74 -20.92 59.63 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 173.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -60.5 -45.76 92.59 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.287 -2.133 . . . . 0.0 112.6 164.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.89 -61.8 1.76 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.101 2.16 . . . . 0.0 109.411 -173.409 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.8 mt -52.77 -33.35 48.11 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.224 2.21 . . . . 0.0 115.337 178.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.29 -44.6 44.82 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 121.69 -0.631 . . . . 0.0 111.507 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.4 ptp -69.69 -39.07 77.16 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -171.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 15.5 m-85 -74.65 -5.52 43.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.507 1.523 . . . . 0.0 113.604 -176.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.429 -1.487 0 O-C-N 120.312 -1.492 . . . . 0.0 111.064 175.428 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.531 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 3.0 ptmm? -124.29 -144.49 0.33 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 119.562 -1.961 . . . . 0.0 105.797 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -86.31 -40.06 15.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.665 -1.897 . . . . 0.0 111.94 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 11.9 tt -61.56 -47.41 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 124.719 1.208 . . . . 0.0 114.029 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 13.6 m-20 -40.98 -39.86 1.27 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.5 2.72 . . . . 0.0 116.223 174.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.7 m -86.14 -45.57 11.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.065 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 t -56.16 -39.9 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.369 -2.082 . . . . 0.0 113.926 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -49.53 -60.23 3.04 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 129.469 3.107 . . . . 0.0 112.796 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 10' ' ' GLU . 10.4 pt-20 -72.5 -12.6 61.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 118.186 2.662 . . . . 0.0 118.186 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.2 mt -90.63 -15.28 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.664 -1.897 . . . . 0.0 110.234 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.21 -52.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.033 -2.917 . . . . 0.0 109.215 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -57.14 -56.96 14.96 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.04 1.336 . . . . 0.0 111.375 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 9.2 t -46.1 -53.09 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 128.609 2.764 . . . . 0.0 113.053 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.95 -13.47 59.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 112.7 -3.6 . . . . 0.0 112.964 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 p -78.07 -17.33 57.13 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 119.024 -0.512 . . . . 0.0 112.178 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' B' ' 17' ' ' ILE . 6.6 mm -60.7 -50.97 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 125.897 1.679 . . . . 0.0 110.536 165.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 mp -64.39 -28.52 69.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.47 1.108 . . . . 0.0 112.504 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.397 54.7 mt -74.6 -44.07 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 121.186 -0.946 . . . . 0.0 112.671 170.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -40.07 59.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 126.772 2.029 . . . . 0.0 114.812 168.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -88.5 -2.49 58.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.31 -1.494 . . . . 0.0 114.314 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.262 0.9 OUTLIER 64.83 50.55 1.97 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.069 2.548 . . . . 0.0 115.038 176.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -124.81 44.85 2.67 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 130.882 3.673 . . . . 0.0 110.294 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.381 0.0 OUTLIER -53.07 -28.11 23.35 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -43.84 -39.22 3.73 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 119.518 3.155 . . . . 0.0 119.518 168.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.61 -37.97 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.258 -2.151 . . . . 0.0 113.078 173.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 t -70.07 -27.2 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 125.991 1.717 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -73.13 -4.17 31.04 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.936 2.494 . . . . 0.0 115.169 -169.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.26 130.07 24.53 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 117.134 -3.478 . . . . 0.0 110.323 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -59.41 -43.24 93.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -70.3 -51.57 29.33 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 118.29 -2.756 . . . . 0.0 115.528 -175.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -44.2 -36.16 2.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.31 -42.81 53.7 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.304 1.842 . . . . 0.0 113.034 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.8 mt -55.51 -43.34 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 128.062 2.545 . . . . 0.0 112.807 170.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.84 67.75 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.355 -1.466 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 26.5 t80 -46.2 -44.6 16.25 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.209 2.204 . . . . 0.0 113.704 166.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.57 -52.46 64.73 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.034 -1.666 . . . . 0.0 114.517 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.63 -37.53 87.69 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.17 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.61 -49.48 77.58 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.776 2.03 . . . . 0.0 115.889 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.282 0.1 OUTLIER -87.16 -11.75 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 120.623 1.556 . . . . 0.0 111.757 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 33.0 6.58 Favored Glycine 0 N--CA 1.43 -1.706 0 N-CA-C 117.964 1.946 . . . . 0.0 117.964 171.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 HG21 ' B' ' 13' ' ' THR . 23.5 t -80.04 120.47 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 120.54 2.17 . . . . 0.0 111.422 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.3 p -100.74 158.49 15.92 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.403 1.081 . . . . 0.0 111.065 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 5.9 t60 -82.81 -101.13 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.945 -1.722 . . . . 0.0 113.41 162.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 87.4 mt-10 -89.89 53.57 2.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.683 -1.886 . . . . 0.0 108.105 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.06 0.34 55.91 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 117.553 1.781 . . . . 0.0 117.553 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -111.99 168.44 9.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.544 1.164 . . . . 0.0 111.082 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -70.14 153.78 42.72 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.476 -1.39 . . . . 0.0 109.898 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.95 113.75 27.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.953 1.359 . . . . 0.0 113.956 -163.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -90.1 157.75 17.62 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.504 -168.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.25 -46.29 87.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -70.75 -43.06 69.6 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.026 -1.671 . . . . 0.0 114.449 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -73.2 -19.26 61.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.334 -1.479 . . . . 0.0 113.337 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.89 -53.13 60.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.653 1.581 . . . . 0.0 112.225 163.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -64.19 -37.1 86.26 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.457 -1.402 . . . . 0.0 113.34 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -62.63 -34.3 76.76 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.319 43.1 pt -65.3 -49.21 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.093 -1.629 . . . . 0.0 114.189 173.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.18 -40.94 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.0 m -83.25 -55.72 4.18 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.126 1.37 . . . . 0.0 113.948 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.606 4.4 pt-20 -74.79 13.21 0.68 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -170.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.58 157.13 4.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.835 1.654 . . . . 0.0 111.433 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -87.86 173.55 8.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.934 -1.729 . . . . 0.0 108.287 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -63.09 -41.5 99.41 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 118.963 -2.336 . . . . 0.0 112.513 170.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -46.09 -56.55 5.45 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.8 -33.81 37.27 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -81.8 -48.74 11.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.934 1.294 . . . . 0.0 108.815 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -48.97 -39.7 27.58 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.7 m -63.44 -34.94 78.85 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.77 -45.03 65.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.307 -2.12 . . . . 0.0 111.49 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.3 mt -56.47 -39.62 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 126.444 1.898 . . . . 0.0 114.061 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.27 -37.25 77.81 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -94.62 -26.33 16.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.914 -1.742 . . . . 0.0 112.912 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.29 60.01 1.32 Allowed 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 -170.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -54.0 -70.9 0.08 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -165.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -73.78 -31.28 63.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.71 1.204 . . . . 0.0 112.276 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.61 -50.4 25.64 Favored Glycine 0 N--CA 1.431 -1.684 0 O-C-N 120.765 -1.209 . . . . 0.0 112.28 -171.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 0.1 OUTLIER -70.6 -46.11 64.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 115.943 -1.98 . . . . 0.0 110.806 178.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -36.54 -61.22 0.54 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 122.558 2.436 . . . . 0.0 116.484 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.11 9.27 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 121.678 -0.639 . . . . 0.0 113.855 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 76' ' ' GLY . 11.2 m -71.78 -19.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 118.868 -2.548 . . . . 0.0 114.377 -169.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -81.22 -18.46 46.02 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 124.972 1.309 . . . . 0.0 112.321 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -66.45 -38.8 88.16 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 115.65 -2.42 . . . . 0.0 111.477 163.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.94 -58.97 3.23 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.409 1.884 . . . . 0.0 107.113 -173.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.79 -36.29 64.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.714 -1.866 . . . . 0.0 115.331 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.33 -65.03 0.75 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 119.519 1.054 . . . . 0.0 111.021 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.272 6.2 ptp -47.87 -33.79 7.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -82.01 -4.41 56.68 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.486 -1.384 . . . . 0.0 111.325 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.294 0.0 OUTLIER -129.14 40.96 3.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.452 1.596 . . . . 0.0 107.853 171.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.27 97.16 11.04 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.782 -1.823 . . . . 0.0 106.612 158.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.43 -1.429 0 C-N-CA 124.297 1.039 . . . . 0.0 110.801 -171.775 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 . . . . . 0 N--CA 1.43 -1.473 0 CA-C-O 120.862 0.363 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.462 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -136.09 -172.0 3.02 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 8' ' ' VAL . 74.0 m-80 -69.38 -38.76 78.17 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.775 -1.828 . . . . 0.0 112.858 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.88 -49.21 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 126.908 2.083 . . . . 0.0 114.672 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.04 -37.24 14.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.712 2.405 . . . . 0.0 114.161 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.402 ' OG1' ' CE1' ' B' ' 44' ' ' HIS . 0.2 OUTLIER -73.2 -54.66 7.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.91 1.284 . . . . 0.0 109.005 -176.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 4' ' ' ASN . 1.4 t -57.54 -33.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.594 1.558 . . . . 0.0 112.174 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -55.85 -66.85 0.35 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.989 2.916 . . . . 0.0 112.084 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 10' ' ' GLU . 8.4 pt-20 -66.95 -25.14 66.19 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 mt -72.07 -36.57 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 120.639 -1.288 . . . . 0.0 112.904 174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.6 mt -48.09 -53.69 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 128.112 2.565 . . . . 0.0 114.387 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 42' ' ' VAL . 7.3 p -67.53 -48.45 66.98 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.672 1.124 . . . . 0.0 111.521 -173.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 17' ' ' ILE . 51.8 t -47.29 -33.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.525 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.68 -11.7 47.58 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 117.842 -3.036 . . . . 0.0 111.979 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 94.3 p -84.08 -26.86 28.67 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.118 -0.989 . . . . 0.0 109.794 172.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.692 HG21 HG21 ' A' ' 17' ' ' ILE . 6.8 mm -51.67 -48.7 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-N 120.457 1.481 . . . . 0.0 113.461 159.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.29 -41.14 98.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.5 mt -78.78 -20.42 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.483 -2.636 . . . . 0.0 116.044 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.94 80.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.156 -2.215 . . . . 0.0 111.649 166.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -84.14 3.24 35.84 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 61.82 39.66 13.64 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.665 1.986 . . . . 0.0 115.051 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -111.84 52.84 0.74 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.927 1.346 . . . . 0.0 111.688 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.333 0.0 OUTLIER -67.18 -6.8 19.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.111 2.634 . . . . 0.0 118.111 176.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -57.88 -35.61 71.23 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.603 1.961 . . . . 0.0 114.0 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.4 -38.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 125.841 1.657 . . . . 0.0 110.764 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.47 -34.8 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 111.461 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -56.65 -12.83 2.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 130.13 3.372 . . . . 0.0 117.864 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -141.3 139.22 33.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.015 -2.303 . . . . 0.0 108.478 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -55.55 -40.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.82 1.648 . . . . 0.0 114.147 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.08 -56.43 11.57 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.955 -2.341 . . . . 0.0 115.104 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -45.92 -35.42 4.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -72.44 -45.63 58.71 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 126.067 1.747 . . . . 0.0 111.987 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.88 -40.04 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 128.954 2.902 . . . . 0.0 113.829 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -53.11 61.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.724 -1.235 . . . . 0.0 111.332 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -54.79 -33.78 61.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 168.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.973 -2.33 . . . . 0.0 112.331 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.29 -31.17 71.3 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.117 -1.614 . . . . 0.0 113.789 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.37 -67.58 0.31 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.507 -1.371 . . . . 0.0 113.603 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.452 HG21 HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -80.37 -12.48 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 121.639 0.733 . . . . 0.0 112.543 -167.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.98 40.52 6.17 Favored Glycine 0 N--CA 1.43 -1.725 0 CA-C-O 117.982 -1.455 . . . . 0.0 115.592 169.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.26 109.98 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 121.831 2.815 . . . . 0.0 109.218 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.26 127.78 53.49 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.462 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 4.6 t60 -74.24 -92.57 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -92.81 51.97 1.78 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 118.751 -2.468 . . . . 0.0 108.161 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.71 15.33 68.67 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 125.053 1.311 . . . . 0.0 114.378 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -127.97 161.34 29.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.67 1.188 . . . . 0.0 109.231 -172.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.72 140.97 58.93 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.534 1.159 . . . . 0.0 112.539 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 124.69 35.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-O 122.484 1.135 . . . . 0.0 111.147 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -101.45 170.57 8.12 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 125.655 1.582 . . . . 0.0 110.852 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -42.9 75.85 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.558 -1.339 . . . . 0.0 114.179 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -72.46 -39.0 68.1 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.25 -1.531 . . . . 0.0 114.107 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.6 m -70.55 -23.56 62.64 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.027 1.331 . . . . 0.0 113.137 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -65.35 -45.4 84.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.562 1.649 . . . . 0.0 111.967 168.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -70.27 -33.16 71.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.692 -1.88 . . . . 0.0 112.918 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.264 2.4 ptmm? -56.27 -47.8 77.87 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 165.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.277 26.5 pt -58.45 -44.38 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 124.677 1.191 . . . . 0.0 112.678 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -76.46 -44.13 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -74.26 -54.37 7.85 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -78.55 -0.23 28.83 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -162.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.6 mt -41.01 142.22 0.52 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.898 2.079 . . . . 0.0 114.717 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -86.02 171.72 11.19 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.026 -1.671 . . . . 0.0 108.129 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -67.85 -37.93 82.5 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.697 -1.877 . . . . 0.0 111.848 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -58.5 -40.93 84.16 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.625 2.37 . . . . 0.0 115.428 168.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -65.32 -36.54 84.36 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.564 -1.96 . . . . 0.0 112.762 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -75.3 -46.14 35.29 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.777 1.231 . . . . 0.0 110.224 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -52.58 -37.88 58.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 126.598 1.959 . . . . 0.0 113.988 166.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -58.26 -44.84 88.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.751 -1.218 . . . . 0.0 113.174 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.8 75.98 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.835 -1.79 . . . . 0.0 112.457 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.18 -46.98 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.394 1.478 . . . . 0.0 114.017 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -70.84 -37.22 73.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.57 -35.69 15.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.221 -1.549 . . . . 0.0 112.945 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.55 68.14 0.73 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.66 -1.9 . . . . 0.0 107.193 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -57.89 -71.56 0.1 Allowed 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.02 1.328 . . . . 0.0 114.504 -170.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -58.69 -51.15 71.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.22 -52.51 43.51 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 124.339 0.971 . . . . 0.0 115.43 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' B' ' 81' ' ' TYR . 4.2 t80 -72.7 -20.87 61.15 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 119.653 1.726 . . . . 0.0 110.522 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -56.08 -60.31 3.66 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.399 -2.063 . . . . 0.0 112.223 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.57 1.0 Allowed Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -32.16 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.686 -2.067 . . . . 0.0 114.567 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' B' ' 77' ' ' PHE . 59.4 t80 -77.7 -13.09 60.0 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.024 1.738 . . . . 0.0 114.385 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -62.77 -47.74 82.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.589 -2.569 . . . . 0.0 112.534 159.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -64.79 -60.52 2.99 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.037 1.735 . . . . 0.0 109.248 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.0 mt -49.08 -37.32 20.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.801 2.44 . . . . 0.0 115.484 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.33 -37.03 38.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 121.91 -0.494 . . . . 0.0 111.393 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.6 ptp -76.42 -29.75 57.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.244 -1.535 . . . . 0.0 112.402 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.45 -5.63 58.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.929 -1.107 . . . . 0.0 112.031 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.341 1.7 t -135.27 51.39 2.08 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.596 1.665 . . . . 0.0 108.778 172.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -96.05 101.05 12.67 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 154.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 N--CA 1.429 -1.485 0 C-N-CA 124.36 1.064 . . . . 0.0 111.371 -170.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 N--CA 1.429 -1.501 0 CA-C-O 122.317 1.056 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.587 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -121.58 -160.03 0.84 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.077 1.351 . . . . 0.0 107.478 175.157 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -68.21 -48.49 65.06 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.709 -1.869 . . . . 0.0 113.263 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.51 -27.16 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 128.183 2.593 . . . . 0.0 115.335 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.37 -40.34 96.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 124.111 1.91 . . . . 0.0 109.397 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 m -77.48 -42.23 36.53 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.285 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.78 -42.85 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 O-C-N 119.366 -2.084 . . . . 0.0 113.595 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.74 -51.84 67.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 129.147 2.979 . . . . 0.0 112.118 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 120.074 -1.641 . . . . 0.0 112.574 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mt -69.55 -35.44 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.111 -2.243 . . . . 0.0 112.205 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG23 HG21 ' A' ' 80' ' ' VAL . 26.8 mt -50.7 -44.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.202 2.601 . . . . 0.0 115.906 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.47 HG21 HG22 ' B' ' 42' ' ' VAL . 5.0 p -66.32 -47.24 74.18 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.605 -1.31 . . . . 0.0 110.633 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -52.37 -49.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.195 2.998 . . . . 0.0 114.2 171.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -30.61 69.59 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.287 -2.133 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -76.88 -11.55 59.84 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.121 -2.862 . . . . 0.0 115.001 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 HG21 ' B' ' 17' ' ' ILE . 10.2 mm -65.71 -49.11 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 124.923 1.289 . . . . 0.0 107.887 166.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 4.8 mt -61.01 -33.64 73.58 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.717 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.7 mt -80.75 -25.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 111.92 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -60.5 -43.78 96.67 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.711 -1.868 . . . . 0.0 112.169 169.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -89.21 -5.92 57.29 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.855 1.662 . . . . 0.0 112.124 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t 59.33 49.49 8.84 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 117.63 2.455 . . . . 0.0 117.63 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -108.4 46.48 0.96 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 128.804 2.842 . . . . 0.0 112.069 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.339 0.0 OUTLIER -64.56 -17.05 63.59 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 -176.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.82 -39.02 11.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 164.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.13 -42.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.931 -1.731 . . . . 0.0 112.798 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -67.55 -33.97 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.401 1.88 . . . . 0.0 113.808 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.272 6.6 pt-20 -59.36 -20.62 56.2 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -168.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -133.42 140.35 47.27 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.337 -2.102 . . . . 0.0 114.124 167.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.253 0.7 OUTLIER -38.26 -52.9 1.49 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 128.628 2.771 . . . . 0.0 114.597 175.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 -22.58 45.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.777 -2.452 . . . . 0.0 115.787 -171.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -73.87 -38.56 64.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.24 -1.537 . . . . 0.0 107.814 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.17 -62.74 1.55 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.814 2.446 . . . . 0.0 115.397 168.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.286 7.6 mt -40.72 -44.64 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 166.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.12 91.13 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 117.959 -2.963 . . . . 0.0 113.078 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.0 t80 -55.4 -47.22 76.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.994 2.917 . . . . 0.0 111.835 167.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.54 -44.71 62.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.913 1.688 . . . . 0.0 114.803 173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -66.96 -28.65 68.45 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.719 -1.238 . . . . 0.0 113.536 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -72.61 -54.75 8.25 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.487 -1.383 . . . . 0.0 112.304 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.78 -21.07 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.06 45.9 3.22 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 124.501 1.048 . . . . 0.0 115.197 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.67 118.42 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 120.353 -1.675 . . . . 0.0 109.795 170.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -112.51 149.71 32.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.572 1.149 . . . . 0.0 108.218 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 10.6 t60 -76.91 -95.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.947 -1.096 . . . . 0.0 111.625 174.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.38 14.87 1.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.785 -1.822 . . . . 0.0 114.892 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.42 4.23 62.58 Favored Glycine 0 N--CA 1.429 -1.772 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -164.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -96.43 138.74 33.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 100.222 -3.992 . . . . 0.0 100.222 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.36 143.56 36.76 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 128.44 36.32 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.881 1.324 . . . . 0.0 111.986 -151.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -98.66 154.57 17.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.733 1.213 . . . . 0.0 109.754 -172.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.94 -33.71 76.45 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.118 -1.614 . . . . 0.0 114.554 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -70.11 -57.15 5.28 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.12 1.368 . . . . 0.0 113.017 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.1 m -70.4 -10.62 59.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 118.784 -2.447 . . . . 0.0 116.558 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.3 -57.68 10.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.012 1.325 . . . . 0.0 111.561 161.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -65.76 -25.42 67.27 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 121.061 -1.024 . . . . 0.0 112.675 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.306 35.7 pttt -63.46 -48.69 76.65 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 164.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.28 26.3 pt -59.66 -44.34 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 119.609 -1.932 . . . . 0.0 114.009 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.9 -38.83 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -92.05 -26.68 18.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 118.07 2.618 . . . . 0.0 118.07 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -83.04 1.05 42.02 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 124.922 3.51 . . . . 0.0 114.88 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -48.51 141.46 6.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.729 1.612 . . . . 0.0 114.86 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.3 p -81.28 169.08 17.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.315 -0.866 . . . . 0.0 109.187 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.28 -33.94 73.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.182 -2.199 . . . . 0.0 110.647 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -34.86 76.61 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 125.337 1.455 . . . . 0.0 114.674 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -65.14 -39.33 92.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.367 1.556 . . . . 0.0 113.198 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -74.02 -46.55 42.77 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.858 1.263 . . . . 0.0 110.867 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -39.01 65.16 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.864 1.666 . . . . 0.0 113.618 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 m -62.09 -39.86 93.89 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.581 -1.949 . . . . 0.0 114.281 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.5 -40.26 89.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.18 -37.41 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.867 1.267 . . . . 0.0 112.379 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.18 -38.19 72.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -82.77 -40.37 20.57 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 120.182 1.355 . . . . 0.0 113.202 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.267 52.8 m-85 -125.42 66.77 1.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 127.93 2.492 . . . . 0.0 111.345 -167.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.92 -63.82 1.17 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.429 1.492 . . . . 0.0 114.578 -163.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -71.87 -38.86 69.96 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.848 1.659 . . . . 0.0 111.696 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.01 9.06 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 126.661 2.077 . . . . 0.0 113.459 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.312 1.1 t80 -72.76 -32.67 65.81 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.563 -0.963 . . . . 0.0 111.263 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -48.25 -57.34 6.09 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.697 -2.502 . . . . 0.0 114.602 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.03 -64.42 3.53 Favored Glycine 0 N--CA 1.43 -1.702 0 O-C-N 120.554 -1.341 . . . . 0.0 113.746 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG21 HG23 ' A' ' 12' ' ' ILE . 9.8 m -70.71 -20.13 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.562 -2.728 . . . . 0.0 113.92 -166.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -87.28 -11.05 50.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.331 -1.481 . . . . 0.0 112.469 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.45 -40.06 95.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.662 -2.524 . . . . 0.0 111.164 159.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -69.29 -53.38 20.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.046 2.138 . . . . 0.0 108.138 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.65 -51.92 67.89 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.43 -1.419 . . . . 0.0 111.827 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -56.01 -36.59 68.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.0 ptp -82.67 -21.98 34.76 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 121.169 -0.957 . . . . 0.0 112.529 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-30 -90.58 4.78 50.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.505 -1.372 . . . . 0.0 111.661 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 t -146.11 69.95 1.22 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.975 1.369 . . . . 0.0 108.77 171.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -112.01 130.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? . . . . . 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 109.759 -165.237 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.529 ' HG3' HG22 ' B' ' 5' ' ' ILE . 10.4 pttm -118.43 -175.29 2.84 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.613 -1.304 . . . . 0.0 108.51 175.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.66 -47.58 84.71 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 119.602 -1.936 . . . . 0.0 114.698 -172.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.529 HG22 ' HG3' ' B' ' 3' ' ' LYS . 8.4 tt -62.55 -38.49 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 113.034 -1.893 . . . . 0.0 114.491 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.84 -47.21 77.67 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 128.183 2.593 . . . . 0.0 113.776 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.43 HG22 HD11 ' B' ' 11' ' ' ILE . 10.0 m -75.14 -41.83 57.45 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.614 1.166 . . . . 0.0 109.959 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 36.9 t -53.38 -40.06 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 119.934 -1.729 . . . . 0.0 114.083 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -54.81 -56.87 14.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 128.851 2.86 . . . . 0.0 113.229 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -50.06 -47.68 53.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.285 1.834 . . . . 0.0 115.177 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.43 HD11 HG22 ' B' ' 7' ' ' THR . 4.8 mt -79.86 -27.85 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 120.017 -1.677 . . . . 0.0 113.678 -173.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -48.19 -56.93 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 127.112 2.165 . . . . 0.0 113.171 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -69.9 -38.39 76.3 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.669 -1.269 . . . . 0.0 113.178 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 17' ' ' ILE . 6.9 t -51.36 -46.17 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 165.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.23 63.33 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 117.519 -3.238 . . . . 0.0 113.788 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 p -72.03 -18.75 61.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.159 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.649 HD11 HG13 ' A' ' 14' ' ' VAL . 9.7 mm -58.73 -55.22 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 124.827 1.251 . . . . 0.0 111.201 162.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 2.7 mp -61.15 -39.29 89.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.871 -1.143 . . . . 0.0 111.053 -175.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.54 -33.67 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.023 1.729 . . . . 0.0 110.961 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.15 79.72 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 120.687 1.585 . . . . 0.0 112.284 168.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -86.67 10.19 16.43 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.38 28.66 16.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.65 49.18 1.11 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.031 2.132 . . . . 0.0 110.608 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.318 0.0 OUTLIER -61.41 -16.72 49.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 168.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -51.17 -31.44 20.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.24 -47.69 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.694 1.198 . . . . 0.0 111.224 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.72 -39.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.431 2.692 . . . . 0.0 112.032 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 28.1 tt0 -50.42 -14.14 0.16 Allowed 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 130.419 3.487 . . . . 0.0 119.83 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -144.22 131.28 20.52 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.818 -2.426 . . . . 0.0 110.57 167.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -31.04 -49.57 0.13 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.882 2.873 . . . . 0.0 114.939 164.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.73 42.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.252 -2.155 . . . . 0.0 111.739 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -66.17 -41.67 90.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.155 -2.216 . . . . 0.0 111.959 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.69 -50.5 72.97 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.057 1.743 . . . . 0.0 113.761 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -51.95 -48.39 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.29 2.236 . . . . 0.0 113.345 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.31 95.53 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 114.157 -3.017 . . . . 0.0 115.635 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.467 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 16.6 t80 -56.61 -38.96 72.77 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.075 1.75 . . . . 0.0 113.06 169.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.9 -41.83 75.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.597 -2.564 . . . . 0.0 113.055 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -72.15 -20.32 61.63 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.853 1.261 . . . . 0.0 111.095 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.353 18.0 mt-10 -71.6 -54.91 8.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 119.192 -1.003 . . . . 0.0 113.053 171.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.98 -17.03 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.024 -1.673 . . . . 0.0 110.306 -166.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 36.82 12.61 Favored Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 115.816 1.087 . . . . 0.0 115.816 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.47 HG22 HG21 ' A' ' 13' ' ' THR . 64.0 t -79.23 118.1 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 CA-C-N 118.773 1.287 . . . . 0.0 110.413 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -116.87 147.22 42.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.102 0.961 . . . . 0.0 109.2 -174.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.442 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.261 47.0 t60 -75.63 -90.05 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 173.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -93.94 50.89 1.46 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.264 -2.148 . . . . 0.0 111.765 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.7 1.15 44.56 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 125.363 1.459 . . . . 0.0 115.42 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -93.91 138.87 31.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.771 1.628 . . . . 0.0 110.404 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -62.21 121.1 12.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.494 1.118 . . . . 0.0 108.204 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.33 130.74 36.54 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 122.632 1.206 . . . . 0.0 110.602 -146.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -94.79 154.97 17.02 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.364 -0.835 . . . . 0.0 111.486 -170.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.22 -39.84 74.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -74.15 -37.98 63.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.118 -1.614 . . . . 0.0 113.774 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.5 m -81.34 -15.14 56.24 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.048 -1.657 . . . . 0.0 113.124 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.15 -50.65 67.34 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.677 1.591 . . . . 0.0 111.406 162.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -69.38 -23.34 63.72 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.961 -1.712 . . . . 0.0 112.322 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.257 8.8 ptmt -61.48 -55.6 29.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 161.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 26.5 pt -54.85 -41.95 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.88 -41.13 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 N-CA-C 114.428 1.269 . . . . 0.0 114.428 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -85.3 -47.92 9.57 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.401 4.7 pt-20 -78.2 15.49 0.93 Allowed 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 120.905 1.684 . . . . 0.0 114.989 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.67 133.34 56.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.077 0.941 . . . . 0.0 111.375 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -75.29 170.05 16.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.552 -1.343 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -69.35 -37.32 77.59 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 120.265 -1.522 . . . . 0.0 112.131 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.38 -28.51 67.99 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 170.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -65.0 -39.02 92.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.673 -1.892 . . . . 0.0 111.811 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -77.75 -41.03 39.0 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.664 -1.897 . . . . 0.0 110.042 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.68 63.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.504 1.522 . . . . 0.0 112.826 166.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -59.54 -42.51 92.5 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.233 -0.917 . . . . 0.0 113.439 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.04 -37.22 78.48 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.255 -1.528 . . . . 0.0 112.36 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.4 -41.41 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.295 -1.503 . . . . 0.0 112.593 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -68.03 -37.43 81.35 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.337 -1.477 . . . . 0.0 114.428 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -87.1 -28.06 22.75 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.732 -1.855 . . . . 0.0 115.129 -175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -136.7 66.19 1.49 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 120.354 -1.466 . . . . 0.0 110.776 -169.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -51.04 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.88 -30.88 58.99 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.702 -1.874 . . . . 0.0 111.382 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.12 -56.37 8.04 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 125.135 1.35 . . . . 0.0 112.227 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.375 0.2 OUTLIER -70.94 -37.27 72.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 117.77 -1.109 . . . . 0.0 109.477 -176.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -46.73 -57.33 4.96 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.54 -53.78 33.21 Favored Glycine 0 N--CA 1.431 -1.695 0 O-C-N 119.89 -1.756 . . . . 0.0 114.681 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.74 -19.86 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.056 -3.026 . . . . 0.0 111.693 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -75.05 -23.13 58.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.354 -1.466 . . . . 0.0 112.972 172.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -64.3 -38.21 90.23 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 125.246 2.451 . . . . 0.0 112.192 169.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.12 -53.4 25.6 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 111.639 -2.528 . . . . 0.0 108.936 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.67 -20.73 63.76 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 118.854 -2.404 . . . . 0.0 116.882 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.15 -44.95 18.99 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.126 -2.234 . . . . 0.0 110.327 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.48 -26.07 57.89 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.062 -2.274 . . . . 0.0 112.984 -164.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 24.0 m-85 -91.8 4.92 51.73 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.564 -174.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.385 15.4 t -142.52 49.76 1.5 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.437 2.065 . . . . 0.0 111.189 173.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -98.19 115.02 27.46 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 128.108 2.563 . . . . 0.0 113.018 167.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 N--CA 1.43 -1.453 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.01 -163.542 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 N--CA 1.429 -1.484 0 CA-C-O 121.773 0.797 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 13.4 mptt -113.6 157.9 21.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.191 0.997 . . . . 0.0 109.603 -178.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -69.84 -55.65 9.22 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 121.229 -0.919 . . . . 0.0 112.403 -172.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 tt -42.82 -57.96 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 127.709 2.404 . . . . 0.0 117.09 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -50.52 -40.78 52.49 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.001 1.72 . . . . 0.0 114.384 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -55.64 -48.96 74.11 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.473 1.509 . . . . 0.0 109.621 172.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.03 -63.24 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 125.491 1.517 . . . . 0.0 110.307 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -32.59 -58.9 0.33 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.862 3.665 . . . . 0.0 120.594 164.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.56 -29.37 65.8 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 113.576 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.403 ' CG1' HG11 ' A' ' 42' ' ' VAL . 87.1 mt -75.56 -34.64 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 120.578 -1.326 . . . . 0.0 111.266 173.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.32 -53.85 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.005 2.122 . . . . 0.0 112.976 168.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -53.96 -46.88 71.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 120.849 1.659 . . . . 0.0 115.405 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.04 -45.23 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 119.958 -1.714 . . . . 0.0 113.318 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.66 87.05 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.667 -1.27 . . . . 0.0 113.254 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -73.06 -13.82 61.28 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -72.18 -40.43 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 126.982 2.113 . . . . 0.0 110.339 167.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.16 -27.14 68.51 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.229 -2.794 . . . . 0.0 112.514 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.347 48.9 mt -79.56 -45.56 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.492 -1.38 . . . . 0.0 111.452 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -36.22 -52.82 0.81 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 161.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.4 -18.21 57.48 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.319 0.9 OUTLIER 72.97 49.07 0.16 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.484 2.313 . . . . 0.0 115.385 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.63 42.99 3.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.906 3.282 . . . . 0.0 113.039 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -60.25 -16.3 32.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -179.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -28.4 -49.19 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.537 2.735 . . . . 0.0 117.816 164.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.53 -43.52 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.709 1.604 . . . . 0.0 112.253 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.48 -35.27 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.777 1.631 . . . . 0.0 113.849 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 15.0 tt0 -61.9 -29.74 70.41 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -175.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -110.35 119.21 38.5 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.221 -1.549 . . . . 0.0 108.698 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -42.93 -54.63 4.12 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.971 2.508 . . . . 0.0 113.24 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.13 56.11 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -86.03 -31.55 21.93 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.523 1.154 . . . . 0.0 108.724 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.83 -55.39 35.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.342 1.457 . . . . 0.0 111.629 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 54' ' ' PHE . 63.5 mt -57.67 -40.11 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 128.018 2.527 . . . . 0.0 114.075 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.1 72.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.512 -1.368 . . . . 0.0 113.521 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -80.58 -33.36 36.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.392 -1.443 . . . . 0.0 109.578 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 14.2 mt -56.72 -49.33 75.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.578 -1.951 . . . . 0.0 112.851 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.06 -22.25 66.72 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.82 -47.44 12.83 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.059 1.3 . . . . 0.0 113.042 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 42' ' ' VAL 0.252 0.2 OUTLIER -83.59 -5.92 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.116 -1.615 . . . . 0.0 113.32 179.88 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 51.08 17.09 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.648 -1.282 . . . . 0.0 115.016 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 HD11 ' A' ' 40' ' ' ILE . 38.3 t -80.44 110.01 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -112.38 123.65 50.76 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.49 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.266 9.9 t60 -64.74 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 31.2 mt-10 -101.75 57.0 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.561 -1.962 . . . . 0.0 107.594 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.66 9.93 59.81 Favored Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 116.373 1.309 . . . . 0.0 116.373 -167.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -126.77 163.54 23.33 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.751 2.776 . . . . 0.0 107.597 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -82.39 175.59 10.12 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.796 0.839 . . . . 0.0 112.606 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.21 127.56 55.02 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 123.343 1.544 . . . . 0.0 113.839 -161.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -93.09 159.66 15.2 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 111.164 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -66.72 -32.63 74.05 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.0 -1.687 . . . . 0.0 114.863 173.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -72.22 -48.54 42.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 111.984 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 -36.19 80.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.2 t80 -49.43 -60.7 2.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.293 1.044 . . . . 0.0 112.46 170.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -61.85 -22.45 65.53 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.363 23.9 pttt -59.14 -52.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.953 1.252 . . . . 0.0 114.176 164.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.285 0.0 OUTLIER -61.57 -50.59 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 118.995 -2.315 . . . . 0.0 112.856 -174.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.25 -32.48 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -92.45 -39.11 11.6 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.9 9.49 14.23 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.288 -2.133 . . . . 0.0 114.578 -167.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.11 150.92 5.34 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.653 1.581 . . . . 0.0 113.803 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -88.25 169.43 11.87 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 171.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -67.11 -28.19 67.95 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.764 -2.46 . . . . 0.0 112.08 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.2 -38.68 90.06 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.304 1.442 . . . . 0.0 113.297 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.15 -36.9 83.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 120.576 -1.327 . . . . 0.0 113.583 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -82.34 -31.06 30.05 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.626 -1.296 . . . . 0.0 111.523 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -37.54 87.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.006 0.923 . . . . 0.0 111.377 166.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -59.71 -43.19 94.25 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 121.213 -0.929 . . . . 0.0 112.276 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.48 -50.9 56.91 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.373 1.069 . . . . 0.0 111.568 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -50.96 -40.95 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 126.211 1.804 . . . . 0.0 113.831 172.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -59.13 -41.79 89.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 126.229 1.812 . . . . 0.0 114.183 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -93.75 -32.44 14.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.784 -1.823 . . . . 0.0 114.755 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -124.56 69.26 1.09 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -168.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -57.39 -70.96 0.11 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.108 1.363 . . . . 0.0 112.373 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.08 -42.14 97.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.663 1.585 . . . . 0.0 112.76 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -60.25 8.34 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 125.885 1.707 . . . . 0.0 114.374 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.274 0.2 OUTLIER -71.32 -44.19 65.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 116.764 -1.589 . . . . 0.0 109.636 -174.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -43.61 -54.42 4.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 121.017 1.735 . . . . 0.0 114.798 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.23 -62.76 5.53 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 116.197 1.239 . . . . 0.0 116.197 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.46 -23.71 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 118.927 -2.513 . . . . 0.0 115.468 -172.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -78.3 -17.34 56.74 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.102 1.361 . . . . 0.0 112.734 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -66.11 -43.35 87.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.052 -1.655 . . . . 0.0 111.983 160.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.33 -54.64 25.94 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.588 1.555 . . . . 0.0 108.364 -171.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -49.54 -59.29 3.89 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.235 -1.54 . . . . 0.0 112.097 174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -42.53 50.21 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -174.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.0 ptp -78.95 -26.29 43.58 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 19.2 m-30 -85.58 -6.93 59.11 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 118.779 -2.45 . . . . 0.0 111.604 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.584 0.2 OUTLIER -110.03 11.97 23.77 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.594 1.958 . . . . 0.0 112.314 169.188 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -74.74 109.4 8.18 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.285 -2.759 . . . . 0.0 110.196 166.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? . . . . . 0 N--CA 1.431 -1.416 0 C-N-CA 126.086 1.755 . . . . 0.0 110.99 -169.789 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.49 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 14.3 mptt -112.88 165.11 12.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 122.913 1.34 . . . . 0.0 109.064 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.52 -44.36 24.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.914 -1.741 . . . . 0.0 112.212 -156.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 tt -61.22 -47.08 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 C-N-CA 126.229 1.812 . . . . 0.0 112.837 -168.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -63.19 -33.73 76.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.3 m -70.28 -48.88 54.74 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.026 -1.046 . . . . 0.0 111.078 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.95 -41.59 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 172.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -64.14 -58.44 6.61 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 130.324 3.449 . . . . 0.0 112.053 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.64 -28.69 70.09 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.84 -28.83 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.167 -2.833 . . . . 0.0 113.366 170.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -57.12 -55.75 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 118.725 -2.485 . . . . 0.0 113.317 173.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.1 p -60.84 -36.3 78.78 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.224 1.81 . . . . 0.0 113.4 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.19 -44.98 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.194 1.798 . . . . 0.0 113.04 172.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.83 65.09 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.953 -2.342 . . . . 0.0 111.903 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p -54.82 -40.56 69.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -49.88 -45.0 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 125.262 1.425 . . . . 0.0 113.244 167.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.78 -42.55 93.58 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.088 -1.633 . . . . 0.0 114.33 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.31 -38.49 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-O 117.305 -1.331 . . . . 0.0 113.034 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -46.35 -57.12 4.91 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 121.842 2.11 . . . . 0.0 113.278 166.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.623 ' CE2' HG23 ' B' ' 17' ' ' ILE . 19.8 m-85 -74.0 -26.51 60.49 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.292 15.5 t 95.79 47.44 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.686 2.794 . . . . 0.0 111.064 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -123.92 51.79 1.51 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 128.637 2.775 . . . . 0.0 106.819 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -15.42 57.76 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.178 -1.576 . . . . 0.0 112.78 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -58.46 -24.44 60.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.198 1.799 . . . . 0.0 115.657 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.12 -48.93 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.128 -1.607 . . . . 0.0 109.507 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 -38.36 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.491 2.316 . . . . 0.0 112.394 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.1 tm-20 -54.84 -18.54 4.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.245 3.018 . . . . 0.0 117.627 177.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.18 137.11 54.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.75 -1.218 . . . . 0.0 109.716 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -57.57 -56.47 21.43 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.883 -1.761 . . . . 0.0 112.084 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.4 97.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -168.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -73.23 -26.18 61.02 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.707 -1.871 . . . . 0.0 113.202 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -69.05 -48.04 63.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.857 1.663 . . . . 0.0 110.723 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.93 -36.34 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 C-N-CA 128.802 2.841 . . . . 0.0 112.969 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.32 76.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 125.101 1.361 . . . . 0.0 107.731 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -58.67 -36.28 73.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 166.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.32 -41.84 90.01 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.604 -1.935 . . . . 0.0 113.035 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.18 -25.52 64.38 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.952 -1.718 . . . . 0.0 114.582 169.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.99 -60.59 2.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.83 1.252 . . . . 0.0 112.536 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.93 -14.26 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.613 1.197 . . . . 0.0 111.485 -170.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.67 47.92 5.18 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 117.864 -1.52 . . . . 0.0 115.28 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.51 117.65 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-N 122.421 3.111 . . . . 0.0 104.804 160.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -125.26 132.97 52.85 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.203 1.001 . . . . 0.0 109.48 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.49 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 50.0 t60 -71.41 -84.02 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -170.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -90.13 38.23 0.92 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.286 -2.759 . . . . 0.0 109.947 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.73 2.82 71.27 Favored Glycine 0 N--CA 1.43 -1.739 0 O-C-N 119.615 -1.928 . . . . 0.0 114.818 -166.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -102.97 147.67 26.64 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.053 1.341 . . . . 0.0 111.006 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -77.61 143.2 38.44 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.982 -1.074 . . . . 0.0 113.793 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -85.69 124.82 32.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.723 -1.236 . . . . 0.0 113.897 -156.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -84.16 164.69 19.0 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.485 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.13 -2.232 . . . . 0.0 112.861 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.25 -38.14 60.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.788 -1.195 . . . . 0.0 112.622 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.1 m -75.97 -30.61 58.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.809 -1.182 . . . . 0.0 112.551 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -66.06 -45.58 80.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.83 0.824 . . . . 0.0 108.979 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -65.14 -36.32 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.699 -1.876 . . . . 0.0 115.767 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -63.49 -25.26 68.18 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.454 0.1 OUTLIER -68.31 -51.72 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 162.272 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -80.29 -37.75 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -66.37 -60.75 2.47 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.353 -2.092 . . . . 0.0 115.785 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.94 10.81 20.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.682 -1.886 . . . . 0.0 115.835 -159.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.1 mt -51.49 134.14 29.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.061 2.144 . . . . 0.0 115.824 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.5 p -61.78 150.06 38.15 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -56.27 -45.08 80.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 112.786 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -54.33 -43.86 71.59 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.94 -27.85 65.09 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.039 -1.663 . . . . 0.0 113.609 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -76.83 -44.55 31.99 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.65 -1.906 . . . . 0.0 110.239 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -60.4 -30.66 69.74 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.746 1.218 . . . . 0.0 113.179 169.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.1 m -59.56 -45.53 91.57 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.271 1.829 . . . . 0.0 110.998 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.75 -36.9 62.61 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.549 -1.97 . . . . 0.0 112.382 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.22 -43.06 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.26 -1.525 . . . . 0.0 113.556 167.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -63.38 -49.57 73.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -93.62 -25.46 17.51 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -166.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -121.28 67.25 0.88 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.863 2.065 . . . . 0.0 109.907 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -57.63 -71.75 0.1 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.234 -1.541 . . . . 0.0 115.132 -166.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.22 -43.34 82.29 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.05 -44.77 65.34 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.695 -1.253 . . . . 0.0 115.106 -172.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.351 0.2 OUTLIER -74.75 -36.22 62.62 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 118.675 1.238 . . . . 0.0 109.843 -176.232 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -44.83 -59.29 2.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.331 1.878 . . . . 0.0 114.367 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.58 -65.57 3.17 Favored Glycine 0 N--CA 1.429 -1.788 0 N-CA-C 115.768 1.067 . . . . 0.0 115.768 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -68.02 -20.47 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.134 -2.392 . . . . 0.0 114.657 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -80.63 -20.93 42.06 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.845 -1.784 . . . . 0.0 113.706 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -61.63 -41.88 98.12 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.594 -1.642 . . . . 0.0 112.941 163.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.19 -54.12 20.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 128.269 2.628 . . . . 0.0 107.954 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.0 -48.85 78.78 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -57.1 -43.08 81.88 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.8 ptp -75.82 -24.26 55.86 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.429 1.109 . . . . 0.0 112.95 -173.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-30 -89.16 -3.75 58.5 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.912 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.52 0.1 OUTLIER -134.02 51.09 2.15 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.456 1.598 . . . . 0.0 110.55 169.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.96 116.7 22.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.142 -2.223 . . . . 0.0 110.687 161.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 166.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 37.0 mttp -113.75 168.71 9.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.844 1.258 . . . . 0.0 108.512 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -75.49 -32.24 60.48 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.126 -1.609 . . . . 0.0 112.514 -174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -62.43 -43.24 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 127.739 2.415 . . . . 0.0 112.147 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.22 -39.64 71.59 Favored 'General case' 0 CA--C 1.488 -1.407 0 C-N-CA 124.68 1.192 . . . . 0.0 113.02 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -70.91 -39.53 72.68 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.7 -1.25 . . . . 0.0 111.164 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.69 -37.26 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.104 -2.248 . . . . 0.0 114.862 165.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -71.53 -48.79 46.52 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.131 1.772 . . . . 0.0 112.525 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.98 -30.72 71.73 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 113.252 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mt -80.36 -19.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.479 -2.013 . . . . 0.0 113.444 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.1 -53.95 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 117.815 -3.053 . . . . 0.0 110.443 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -58.73 -42.78 89.55 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.567 HG13 HD11 ' B' ' 17' ' ' ILE . 4.8 t -54.3 -45.83 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.655 1.982 . . . . 0.0 114.527 170.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.91 77.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.598 -1.939 . . . . 0.0 112.631 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.8 p -63.32 -29.09 70.46 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' B' ' 17' ' ' ILE . 19.5 mm -51.25 -54.47 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 164.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.12 -41.38 83.5 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.55 -34.25 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -50.95 -41.42 59.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.878 -2.389 . . . . 0.0 113.914 165.535 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -90.03 12.75 16.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t 50.91 38.95 21.51 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.763 2.025 . . . . 0.0 115.331 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -115.34 56.52 0.75 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.877 1.322 . . . . 0.0 110.238 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -6.12 23.62 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 169.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.94 -36.04 36.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.472 2.709 . . . . 0.0 114.869 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.4 mt -76.69 -43.78 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 125.413 1.485 . . . . 0.0 111.627 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.88 -44.72 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.395 1.878 . . . . 0.0 112.592 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.11 -14.02 0.98 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 130.381 3.472 . . . . 0.0 116.713 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -127.57 114.74 17.81 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.546 -1.972 . . . . 0.0 111.956 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -32.56 -64.34 0.18 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.702 3.201 . . . . 0.0 114.712 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -44.85 84.59 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.62 -36.05 73.44 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.5 t80 -64.02 -49.33 72.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.415 1.886 . . . . 0.0 112.727 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.6 -39.85 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 128.485 2.714 . . . . 0.0 113.465 169.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.16 74.68 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 123.877 0.871 . . . . 0.0 109.713 175.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -53.09 -43.35 66.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.649 1.98 . . . . 0.0 115.153 167.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' PHE . 15.8 mt -58.42 -44.08 88.94 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.433 -2.042 . . . . 0.0 113.734 175.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -72.77 -24.73 60.99 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.992 -1.692 . . . . 0.0 114.327 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.88 -46.04 59.2 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.65 1.58 . . . . 0.0 111.928 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.9 pt -89.63 -12.64 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.651 -1.281 . . . . 0.0 112.349 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.5 28.83 13.35 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.319 2.3 t -70.35 110.85 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 119.433 1.617 . . . . 0.0 108.956 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 p -102.92 142.91 33.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.87 1.268 . . . . 0.0 107.596 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.5 t60 -73.29 -95.09 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.515 -1.366 . . . . 0.0 112.302 168.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.82 47.44 1.1 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.12 -2.237 . . . . 0.0 110.193 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.56 -9.09 75.0 Favored Glycine 0 N--CA 1.43 -1.74 0 O-C-N 121.432 -0.792 . . . . 0.0 113.534 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -95.93 138.35 33.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.587 1.555 . . . . 0.0 109.544 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -63.46 147.19 51.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.145 -0.972 . . . . 0.0 111.043 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.88 123.34 31.9 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.492 -1.38 . . . . 0.0 114.409 -162.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -93.32 161.0 14.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.6 1.16 . . . . 0.0 110.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -73.33 -31.68 64.13 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.845 -1.785 . . . . 0.0 115.007 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -77.16 -40.39 45.64 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.567 -1.333 . . . . 0.0 113.427 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.1 m -74.21 -23.36 59.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.474 -1.391 . . . . 0.0 113.962 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -58.72 -53.28 60.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.007 1.323 . . . . 0.0 109.999 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -29.72 70.42 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.773 -1.205 . . . . 0.0 113.617 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 31.5 pttt -66.46 -42.89 86.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.958 1.708 . . . . 0.0 115.152 169.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 57' ' ' ILE 0.346 44.4 pt -56.53 -48.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 113.097 175.353 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -78.44 -41.7 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -80.93 -55.4 4.82 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.367 6.6 pt-20 -82.93 21.37 1.05 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -166.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.35 151.95 12.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.542 1.537 . . . . 0.0 112.855 165.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 p -78.91 170.0 17.35 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.419 -2.051 . . . . 0.0 111.739 173.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -60.33 -40.89 92.25 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.198 -1.564 . . . . 0.0 112.875 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.3 -31.92 70.71 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 124.864 1.266 . . . . 0.0 114.335 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.07 -41.01 97.71 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.108 1.432 . . . . 0.0 111.243 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -72.67 -46.46 53.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.74 1.616 . . . . 0.0 110.204 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -35.43 65.17 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.4 m -62.99 -39.72 95.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.112 -0.993 . . . . 0.0 112.772 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.15 -45.42 66.82 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.09 0.956 . . . . 0.0 112.004 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -49.17 -47.92 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 125.84 1.656 . . . . 0.0 113.604 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -66.48 -31.9 72.93 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -93.69 -37.08 12.01 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -114.37 65.54 0.67 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.386 1.475 . . . . 0.0 108.041 -170.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -59.76 -69.18 0.22 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -166.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.05 -32.94 74.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.773 -1.829 . . . . 0.0 114.341 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 -59.43 4.91 Favored Glycine 0 N--CA 1.43 -1.753 0 C-N-CA 125.045 1.307 . . . . 0.0 113.12 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.255 0.9 OUTLIER -77.06 -13.32 59.97 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.119 -1.224 . . . . 0.0 110.83 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.03 -61.46 2.62 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.15 -2.219 . . . . 0.0 110.452 165.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.72 -55.06 12.26 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 124.117 0.865 . . . . 0.0 114.859 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.39 -22.34 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 119.72 -2.047 . . . . 0.0 111.508 -167.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -76.13 -36.08 58.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.576 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.255 26.2 mmt180 -48.15 -46.73 34.81 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 120.753 1.615 . . . . 0.0 112.75 168.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.77 -53.1 59.55 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.599 1.56 . . . . 0.0 109.632 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.44 -37.72 86.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.956 -1.715 . . . . 0.0 114.883 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -70.28 -36.0 74.1 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 120.26 -1.525 . . . . 0.0 113.379 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.5 ptp -80.16 -26.87 39.14 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.224 -1.548 . . . . 0.0 115.088 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.87 -3.56 57.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.557 -1.339 . . . . 0.0 112.208 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.31 12.7 t -136.35 25.15 3.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.644 -1.285 . . . . 0.0 113.489 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -81.96 115.37 21.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 163.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt . . . . . 0 N--CA 1.43 -1.464 0 O-C-N 119.509 -1.994 . . . . 0.0 111.477 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 . . . . . 0 N--CA 1.429 -1.483 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.495 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 3.8 mppt? -119.36 -175.8 3.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -70.44 -47.77 59.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 tt -46.93 -58.3 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 C-N-CA 127.13 2.172 . . . . 0.0 115.171 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -32.12 -47.1 0.13 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.662 2.385 . . . . 0.0 116.853 172.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -51.48 65.56 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.646 1.578 . . . . 0.0 111.733 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.8 -39.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.769 2.028 . . . . 0.0 111.032 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -52.45 -59.11 4.82 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 129.504 3.122 . . . . 0.0 115.079 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.27 -28.21 66.1 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.131 -2.231 . . . . 0.0 114.736 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -73.09 -37.5 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.252 -2.155 . . . . 0.0 112.352 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.17 -42.32 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.126 2.57 . . . . 0.0 116.735 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -67.69 -47.83 68.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 17' ' ' ILE . 6.3 t -51.51 -42.89 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 168.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.82 81.38 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.726 -1.234 . . . . 0.0 111.237 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.487 ' HB3' HG11 ' B' ' 80' ' ' VAL . 15.5 p -62.45 -25.11 67.8 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.632 HG21 HG21 ' A' ' 17' ' ' ILE . 12.4 mm -62.06 -48.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 124.944 1.298 . . . . 0.0 111.619 172.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 3.2 mp -63.33 -37.94 89.24 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.344 -1.473 . . . . 0.0 113.041 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mt -64.76 -30.77 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 124.971 1.309 . . . . 0.0 113.06 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -32.04 72.93 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.394 1.478 . . . . 0.0 113.305 173.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -100.73 10.53 41.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.417 -1.427 . . . . 0.0 114.11 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t 74.05 20.02 2.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.749 1.62 . . . . 0.0 114.017 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -104.48 36.34 2.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.27 1.828 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.285 0.0 OUTLIER -56.8 -24.38 50.24 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.106 1.763 . . . . 0.0 115.591 169.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -38.46 -42.1 0.71 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 118.171 2.656 . . . . 0.0 118.171 160.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD23 ' B' ' 18' ' ' LEU . 35.2 mt -68.88 -42.58 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 O-C-N 120.428 -1.42 . . . . 0.0 111.06 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.45 -33.0 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 124.788 1.235 . . . . 0.0 112.052 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.8 tt0 -58.33 -18.77 29.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.909 2.884 . . . . 0.0 118.046 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -127.29 125.97 41.8 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.835 -1.79 . . . . 0.0 112.477 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -46.84 -60.88 2.14 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.147 2.579 . . . . 0.0 114.656 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.1 -15.64 60.06 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -79.17 -38.05 36.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.839 -1.163 . . . . 0.0 109.28 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.55 -53.07 62.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.232 1.013 . . . . 0.0 113.308 172.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 51' ' ' GLN . 29.5 mt -58.22 -37.8 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 127.017 2.127 . . . . 0.0 113.726 174.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.24 71.36 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 112.881 172.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -80.43 -35.55 34.91 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 176.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.78 -46.01 88.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 119.677 1.126 . . . . 0.0 112.388 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.27 -40.28 93.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -52.91 -61.81 2.06 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 119.971 1.26 . . . . 0.0 113.759 170.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.4 pt -79.94 -17.37 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -170.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.43 50.7 5.59 Favored Glycine 0 N--CA 1.43 -1.764 0 O-C-N 120.945 -1.097 . . . . 0.0 115.413 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.36 118.09 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 123.32 1.533 . . . . 0.0 107.242 159.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -101.94 158.12 16.37 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.501 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.495 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.296 7.4 t60 -79.86 -96.96 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 151.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.21 42.13 1.05 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.66 -2.525 . . . . 0.0 111.201 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.45 17.3 72.43 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 120.298 -1.501 . . . . 0.0 114.559 -162.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -114.76 158.28 22.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.728 -2.043 . . . . 0.0 107.236 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -70.54 144.9 51.16 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.818 0.818 . . . . 0.0 111.547 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.39 130.13 37.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 122.776 1.274 . . . . 0.0 110.988 -170.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.46 151.06 20.37 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.291 1.036 . . . . 0.0 109.685 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.459 ' HG2' HG21 ' B' ' 34' ' ' ILE . 65.4 mt-30 -67.96 -30.26 69.5 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.89 -50.79 26.23 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.603 -1.311 . . . . 0.0 113.318 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -68.21 -25.38 65.19 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.312 -2.118 . . . . 0.0 116.199 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.55 -54.55 21.65 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.759 -1.838 . . . . 0.0 113.547 163.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -68.11 -22.95 64.86 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.307 13.2 pttt -69.64 -48.78 58.72 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.64 -1.287 . . . . 0.0 114.297 166.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.272 30.4 pt -53.79 -49.41 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.84 2.109 . . . . 0.0 114.074 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -71.89 -35.54 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -87.8 -43.71 11.66 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.324 7.7 pt-20 -95.5 15.63 19.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.942 1.701 . . . . 0.0 115.309 -168.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -46.0 148.74 0.77 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.038 -1.664 . . . . 0.0 114.311 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 49.8 p -83.9 171.61 12.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 107.848 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.04 -36.4 69.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.756 -1.84 . . . . 0.0 110.796 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.74 -33.89 76.93 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.744 -1.848 . . . . 0.0 114.19 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.35 -34.91 76.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.123 -1.611 . . . . 0.0 114.263 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -76.14 -36.06 58.96 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.684 -1.885 . . . . 0.0 110.9 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.13 82.46 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.636 -1.29 . . . . 0.0 111.945 169.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.659 1.183 . . . . 0.0 111.797 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.25 -44.73 87.21 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.985 -1.697 . . . . 0.0 112.745 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.71 -52.06 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.596 1.558 . . . . 0.0 114.905 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -64.2 -36.01 82.68 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.998 1.319 . . . . 0.0 113.656 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.99 -16.52 24.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.587 -1.945 . . . . 0.0 114.191 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -138.29 77.1 1.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.157 -1.589 . . . . 0.0 108.269 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.37 -71.74 0.17 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.295 -2.128 . . . . 0.0 114.907 -165.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.57 -35.65 80.73 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.02 -1.05 . . . . 0.0 112.621 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.459 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.15 -57.11 20.77 Favored Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 126.056 1.789 . . . . 0.0 113.313 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.435 ' HA ' HG22 ' B' ' 80' ' ' VAL 0.263 2.2 t80 -74.88 -39.16 61.67 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.791 -1.099 . . . . 0.0 111.958 -177.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -41.16 -64.16 0.59 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.31 -54.96 26.3 Favored Glycine 0 N--CA 1.43 -1.757 0 CA-C-O 122.102 0.835 . . . . 0.0 114.152 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' B' ' 16' ' ' SER . 14.2 m -65.76 -28.76 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.945 -1.915 . . . . 0.0 114.021 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -82.99 -16.12 48.48 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.664 1.186 . . . . 0.0 112.227 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -61.38 -47.63 84.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.676 -1.89 . . . . 0.0 112.232 159.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.74 -51.46 59.08 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.892 1.277 . . . . 0.0 108.679 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.08 -31.94 71.6 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -77.34 -42.68 35.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.603 -1.31 . . . . 0.0 113.543 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 16.0 ptp -76.64 -30.78 57.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.909 -1.744 . . . . 0.0 115.165 -168.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.9 m-85 -82.11 5.61 19.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.634 -1.916 . . . . 0.0 113.618 -174.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER -119.74 15.18 12.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.92 1.288 . . . . 0.0 108.491 173.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -73.39 130.48 40.23 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.43 -2.669 . . . . 0.0 109.228 166.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt . . . . . 0 N--CA 1.429 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 111.726 -169.227 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 119.588 -0.244 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 64.6 mmtt -111.43 -159.23 0.67 Allowed 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 120.774 -1.204 . . . . 0.0 107.894 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -75.6 -60.66 2.21 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.102 -2.249 . . . . 0.0 111.034 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -39.62 -39.73 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 128.659 2.783 . . . . 0.0 117.161 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' HA ' HH11 ' A' ' 9' ' ' ARG . 38.9 m-20 -59.34 -50.24 74.73 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.854 2.062 . . . . 0.0 111.792 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.32 21.4 m -68.9 -30.82 69.39 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' VAL . 6.7 t -59.02 -51.31 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 118.46 -2.65 . . . . 0.0 112.215 168.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HA ' ' A' ' 6' ' ' ASP 0.371 0.1 OUTLIER -61.15 -43.52 98.75 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.694 2.398 . . . . 0.0 112.852 -173.058 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.99 -28.8 63.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.125 -2.234 . . . . 0.0 114.534 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.13 -38.21 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 118.714 -2.491 . . . . 0.0 111.405 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -46.8 -40.73 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 129.237 3.015 . . . . 0.0 115.182 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -72.73 -46.46 53.42 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.723 -0.611 . . . . 0.0 111.359 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 17' ' ' ILE . 4.1 t -52.63 -48.03 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.955 2.502 . . . . 0.0 114.778 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.26 96.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 112.755 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 p -66.21 -16.26 63.85 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 HG21 ' B' ' 17' ' ' ILE . 5.1 mm -65.7 -49.34 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-N 121.037 1.744 . . . . 0.0 109.705 170.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.85 -34.99 75.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.688 -1.257 . . . . 0.0 113.451 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.4 mt -80.04 -23.66 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 119.43 -2.044 . . . . 0.0 113.131 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.63 76.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.617 1.567 . . . . 0.0 109.689 169.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -100.45 3.03 42.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.531 -1.356 . . . . 0.0 114.606 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t 60.07 46.67 10.47 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -118.57 33.12 5.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.497 2.319 . . . . 0.0 111.972 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.374 0.0 OUTLIER -56.16 -16.27 4.98 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 120.468 3.507 . . . . 0.0 120.468 178.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -42.28 -39.07 1.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.12 -42.71 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 O-C-N 120.253 -1.529 . . . . 0.0 110.621 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.5 -41.75 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 126.82 2.048 . . . . 0.0 113.967 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.6 pt-20 -70.37 -17.19 63.04 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -112.56 118.75 35.97 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 109.33 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -35.34 -54.12 0.65 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.734 2.814 . . . . 0.0 115.67 169.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.29 17.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -51.16 -36.95 43.61 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.34 1.056 . . . . 0.0 113.823 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.15 -61.31 2.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.514 1.526 . . . . 0.0 115.106 165.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -50.91 -39.24 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 128.384 2.674 . . . . 0.0 115.386 174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.72 70.18 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.519 -1.988 . . . . 0.0 114.344 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -39.22 67.64 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.005 2.122 . . . . 0.0 110.021 173.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.95 -36.68 70.54 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -75.67 -28.22 58.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 118.943 -2.348 . . . . 0.0 114.81 168.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.5 -56.26 19.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 120.308 1.413 . . . . 0.0 110.889 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -79.93 -24.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.63 4.09 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.236 -1.54 . . . . 0.0 115.408 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.45 104.35 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 119.13 1.465 . . . . 0.0 108.701 164.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -93.07 130.4 38.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.799 -1.188 . . . . 0.0 109.216 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.1 t60 -64.82 -80.51 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.19 57.67 0.61 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.356 -1.465 . . . . 0.0 107.251 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.39 19.97 49.21 Favored Glycine 0 N--CA 1.429 -1.785 0 N-CA-C 119.882 2.713 . . . . 0.0 119.882 -172.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -128.62 171.92 11.7 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.22 151.51 39.94 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.733 -1.23 . . . . 0.0 111.256 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -95.19 120.92 36.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.314 1.53 . . . . 0.0 111.473 -167.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -96.16 164.3 12.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.769 -169.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -78.54 -41.87 30.95 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.972 -1.705 . . . . 0.0 112.074 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -60.99 -61.32 2.66 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 125.729 1.612 . . . . 0.0 112.583 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -69.5 -9.99 56.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.66 -45.18 76.0 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.444 -2.035 . . . . 0.0 110.091 164.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -19.4 63.66 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.746 -1.221 . . . . 0.0 112.424 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.359 30.8 pttt -65.13 -49.89 68.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.363 -2.086 . . . . 0.0 115.948 158.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.276 29.4 pt -59.1 -49.93 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-N 120.688 1.585 . . . . 0.0 114.543 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.1 m -76.22 -34.78 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.095 -1.628 . . . . 0.0 114.883 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -82.25 -52.26 7.12 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.39 8.47 38.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 119.465 -2.022 . . . . 0.0 115.375 -161.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.7 mt -43.53 147.21 0.43 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.0 p -76.3 174.04 10.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.319 -0.863 . . . . 0.0 109.472 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.4 -37.97 77.75 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.616 -1.927 . . . . 0.0 110.595 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -56.48 -48.0 78.05 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.608 1.963 . . . . 0.0 113.519 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -55.79 -37.56 68.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.49 -33.67 31.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.468 -1.395 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.27 93.96 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.513 -1.367 . . . . 0.0 112.146 171.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -61.11 -33.22 73.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 123.673 0.789 . . . . 0.0 113.074 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.7 -37.1 62.71 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.245 -1.534 . . . . 0.0 113.431 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.81 -41.56 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 124.815 1.246 . . . . 0.0 112.521 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -65.8 -43.68 87.95 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -87.34 -41.71 13.42 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 110.68 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -112.79 61.22 0.63 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.074 1.75 . . . . 0.0 112.649 -172.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -53.88 -72.31 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.827 -2.421 . . . . 0.0 117.309 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.65 -39.04 84.59 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.139 -1.6 . . . . 0.0 111.578 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.42 -50.82 35.48 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 124.524 1.059 . . . . 0.0 114.645 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.297 0.1 OUTLIER -69.53 -46.51 66.32 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.057 -178.051 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -51.96 -39.63 59.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.0 2.182 . . . . 0.0 116.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.65 -71.21 0.81 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 120.762 -1.211 . . . . 0.0 116.051 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -64.52 -23.67 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.69 -2.065 . . . . 0.0 114.606 -176.179 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -76.1 -17.52 59.57 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.522 -1.986 . . . . 0.0 114.935 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.215 -2.178 . . . . 0.0 110.415 163.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -69.4 -53.48 19.18 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.801 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.04 -56.51 19.89 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.7 -1.25 . . . . 0.0 111.483 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.36 -33.34 53.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.269 11.2 ptp -84.66 -32.57 23.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 112.816 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.6 m-85 -83.21 -2.86 56.6 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.624 -1.922 . . . . 0.0 111.818 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.312 1.6 t -134.32 42.3 2.88 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.025 1.393 . . . . 0.0 107.764 166.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -66.06 119.59 11.66 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.431 -1.418 . . . . 0.0 108.218 143.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.3 mttt . . . . . 0 N--CA 1.43 -1.432 0 O-C-N 121.054 -1.028 . . . . 0.0 111.285 -166.161 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.1 m120 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.426 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -133.87 171.51 14.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 126.31 1.844 . . . . 0.0 108.151 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.96 -59.97 3.04 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.575 -1.328 . . . . 0.0 112.378 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 tt -39.95 -49.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.742 2.417 . . . . 0.0 114.858 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.12 -40.27 68.26 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.577 1.151 . . . . 0.0 113.015 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . 0.263 31.0 m -68.19 -42.08 80.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.027 -2.296 . . . . 0.0 113.704 171.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 t -49.78 -33.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.691 -2.506 . . . . 0.0 114.298 163.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -71.91 -47.14 54.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.009 1.323 . . . . 0.0 113.109 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.89 -33.99 71.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 121.062 -1.024 . . . . 0.0 113.066 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.85 -25.71 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 118.526 -2.609 . . . . 0.0 113.88 168.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.45 -47.81 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.433 -2.042 . . . . 0.0 112.63 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -65.91 -45.49 81.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.783 -1.198 . . . . 0.0 112.234 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 17' ' ' ILE . 2.9 t -53.02 -46.76 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.602 1.961 . . . . 0.0 114.301 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.5 70.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.295 -2.128 . . . . 0.0 114.096 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.1 p -62.88 -29.48 70.79 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 171.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 14' ' ' VAL . 8.9 mm -55.49 -53.18 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.296 1.438 . . . . 0.0 110.936 167.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.07 -41.39 83.29 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.81 -34.54 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.414 1.485 . . . . 0.0 114.492 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.51 75.06 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.802 -1.811 . . . . 0.0 113.323 167.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -85.74 -3.76 58.98 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.487 -1.383 . . . . 0.0 113.742 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t 55.44 48.67 18.44 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.244 2.683 . . . . 0.0 118.244 -171.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -114.48 54.57 0.76 Allowed 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.678 1.991 . . . . 0.0 111.215 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -73.72 -4.85 37.0 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.228 -2.17 . . . . 0.0 116.569 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.44 -32.81 28.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.945 2.098 . . . . 0.0 115.185 167.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.68 -39.95 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 125.075 1.35 . . . . 0.0 110.218 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -68.79 -45.98 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.388 0 C-N-CA 127.434 2.294 . . . . 0.0 112.263 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -58.85 -25.59 63.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -175.246 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -112.89 107.1 15.56 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -43.21 -31.61 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 173.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.75 -38.17 18.52 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.619 2.463 . . . . 0.0 111.921 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -63.14 -33.46 75.51 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.055 -1.653 . . . . 0.0 111.796 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.69 -54.61 32.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.101 2.16 . . . . 0.0 112.665 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' B' ' 54' ' ' PHE . 33.6 mt -52.83 -41.98 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.608 2.363 . . . . 0.0 111.869 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.46 81.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 112.982 -3.487 . . . . 0.0 114.172 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.05 -41.62 62.47 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 128.022 2.529 . . . . 0.0 113.936 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.29 -45.95 69.13 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 118.714 -2.491 . . . . 0.0 114.325 169.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -73.4 -12.5 60.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.897 1.679 . . . . 0.0 115.059 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.62 -58.1 3.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.638 1.175 . . . . 0.0 112.022 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -88.07 -12.12 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.855 -1.153 . . . . 0.0 110.631 -166.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.93 36.23 4.81 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.688 -1.257 . . . . 0.0 116.171 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.254 1.9 t -74.86 90.67 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-O 122.817 1.294 . . . . 0.0 110.319 166.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.4 p -109.62 116.69 32.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.988 1.715 . . . . 0.0 108.645 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 23.9 t60 -64.97 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -165.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.17 57.38 0.66 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.485 -1.384 . . . . 0.0 107.268 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.16 -8.04 68.96 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 124.265 0.936 . . . . 0.0 114.805 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -114.73 156.1 25.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.954 -1.321 . . . . 0.0 110.719 -166.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -59.31 128.63 38.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.996 1.318 . . . . 0.0 111.563 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.04 130.13 34.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.759 1.266 . . . . 0.0 110.146 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -95.59 155.36 16.77 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.416 1.087 . . . . 0.0 109.676 -165.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -63.4 -40.6 97.64 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.967 -1.708 . . . . 0.0 112.917 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -67.9 -46.53 71.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.669 -1.269 . . . . 0.0 113.172 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -75.68 -14.49 60.35 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.403 -1.436 . . . . 0.0 113.327 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CD2' HD11 ' B' ' 34' ' ' ILE . 72.5 t80 -71.58 -49.02 44.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.365 1.555 . . . . 0.0 109.166 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -25.26 60.48 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.759 -172.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 3.7 pttp -65.25 -61.87 1.88 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 116.556 -1.688 . . . . 0.0 113.804 160.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.307 34.7 pt -45.03 -45.07 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.41 -41.26 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -42.62 19.96 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.98 12.77 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.19 146.09 53.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.655 -1.903 . . . . 0.0 111.492 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 60.5 p -86.5 171.0 11.42 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.871 -1.143 . . . . 0.0 110.835 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.23 -50.53 72.58 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.128 0.971 . . . . 0.0 111.67 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.16 -38.17 79.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -63.29 -41.21 98.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.26 1.029 . . . . 0.0 113.148 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -77.89 -42.61 32.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 124.722 1.209 . . . . 0.0 109.835 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.84 -31.81 70.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.167 0.987 . . . . 0.0 112.787 170.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.9 m -61.96 -41.17 97.7 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 112.513 172.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.2 mt -73.41 -37.0 66.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.475 -1.391 . . . . 0.0 112.814 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.0 mt -49.3 -45.13 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.962 1.705 . . . . 0.0 113.688 167.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.93 -37.49 81.72 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.75 -40.45 9.36 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.117 -1.615 . . . . 0.0 113.535 -168.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.35 60.24 0.61 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 121.034 -1.041 . . . . 0.0 110.453 -167.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -41.96 -71.89 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -42.59 93.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 122.413 1.101 . . . . 0.0 113.723 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.46 -54.77 4.53 Favored Glycine 0 N--CA 1.431 -1.675 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.288 -161.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.278 0.2 OUTLIER -73.06 -36.84 66.96 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.191 -173.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -43.62 -57.38 3.19 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.546 1.976 . . . . 0.0 115.482 166.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -62.25 5.77 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 120.438 -1.414 . . . . 0.0 115.582 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.5 -20.93 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 118.1 -3.0 . . . . 0.0 112.941 -165.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -83.01 -16.42 47.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.568 -1.957 . . . . 0.0 112.795 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -62.93 -44.29 96.49 Favored 'General case' 0 N--CA 1.431 -1.388 0 O-C-N 118.864 -2.398 . . . . 0.0 112.174 158.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -69.78 -51.32 34.9 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.483 1.513 . . . . 0.0 108.594 -168.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.6 -28.18 69.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.843 -1.786 . . . . 0.0 112.9 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.05 -37.19 34.49 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.352 -2.093 . . . . 0.0 110.455 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 10.8 ptp -80.39 -11.92 59.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.422 -1.424 . . . . 0.0 113.32 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 22.0 m-85 -97.98 1.36 47.81 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.715 -1.241 . . . . 0.0 110.399 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.39 0.0 OUTLIER -144.13 61.61 1.35 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.619 -1.301 . . . . 0.0 111.614 173.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.63 103.91 15.64 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.501 -1.374 . . . . 0.0 110.365 155.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.422 0 C-N-CA 125.769 1.628 . . . . 0.0 111.014 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 25.8 mmtp -113.8 164.04 14.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.802 1.241 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -77.4 -57.98 3.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.049 -1.657 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 6' ' ' ASP . 10.8 tt -38.03 -51.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.199 2.6 . . . . 0.0 117.469 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 5' ' ' ILE . 56.2 m-20 -57.2 -27.76 62.26 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.89 2.476 . . . . 0.0 113.742 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.5 m -94.63 -27.37 15.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.986 -1.696 . . . . 0.0 109.237 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -64.2 -43.12 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 118.583 -2.573 . . . . 0.0 111.012 171.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -53.8 -53.06 57.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.835 3.654 . . . . 0.0 114.856 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' B' ' 9' ' ' ARG . 7.1 pt-20 -68.21 -35.22 77.63 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.7 -29.93 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 124.69 1.196 . . . . 0.0 109.952 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.27 -58.48 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 127.57 2.348 . . . . 0.0 111.853 167.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 1.1 p -52.93 -49.17 66.52 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG13 HD11 ' B' ' 17' ' ' ILE . 14.8 t -51.48 -48.68 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 168.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.947 1.356 . . . . 0.0 109.333 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.252 10.2 p -67.72 -22.26 65.25 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 171.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.504 HG21 HG21 ' B' ' 17' ' ' ILE . 25.9 mm -61.31 -45.11 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 122.477 2.399 . . . . 0.0 111.142 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -32.02 73.29 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.972 -1.705 . . . . 0.0 113.075 176.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.262 86.0 mt -80.36 -36.3 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.056 -1.652 . . . . 0.0 110.967 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG3' HG22 ' B' ' 40' ' ' ILE . 6.6 tmtm? -50.69 -51.81 46.04 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.546 3.138 . . . . 0.0 113.738 168.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.56 -33.58 69.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.43 1.3 t 93.85 32.29 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.808 2.043 . . . . 0.0 114.805 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.89 42.14 1.41 Allowed 'General case' 0 N--CA 1.431 -1.403 1 C-N-CA 131.877 4.071 . . . . 0.0 112.507 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.331 0.0 OUTLIER -60.28 -23.98 64.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 173.345 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -46.61 -25.0 0.62 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.65 -41.26 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 CA-C-N 121.651 2.023 . . . . 0.0 113.434 167.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -68.54 -22.64 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.865 2.466 . . . . 0.0 112.686 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.58 -10.61 59.59 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -129.55 125.27 35.87 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.2 -1.563 . . . . 0.0 111.283 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -48.33 -57.57 5.82 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 128.222 2.609 . . . . 0.0 113.694 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.46 -15.26 62.32 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.91 -36.57 23.24 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.997 -1.689 . . . . 0.0 107.034 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.43 -48.73 76.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.015 1.726 . . . . 0.0 112.585 173.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 51' ' ' GLN . 31.9 mt -57.07 -42.83 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.493 -2.629 . . . . 0.0 114.836 172.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 39' ' ' GLU . . . -60.73 -31.31 70.62 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.345 -1.472 . . . . 0.0 114.712 170.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.255 5.7 t80 -72.71 -40.51 66.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.431 1.493 . . . . 0.0 111.241 173.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.26 -48.08 82.97 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.533 -1.98 . . . . 0.0 114.431 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -57.84 -48.92 78.37 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.559 -1.963 . . . . 0.0 114.246 170.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 2.2 tp10 -52.93 -55.29 24.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 175.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -79.06 -16.81 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 119.688 -1.883 . . . . 0.0 113.843 -178.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.85 45.96 4.37 Favored Glycine 0 N--CA 1.43 -1.713 0 N-CA-C 116.026 1.17 . . . . 0.0 116.026 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -90.45 107.14 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 165.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -106.4 127.57 53.38 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.52 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.2 t60 -64.7 -79.91 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -171.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.52 46.67 1.02 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.313 -1.492 . . . . 0.0 108.359 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.13 19.82 17.92 Favored Glycine 0 N--CA 1.431 -1.692 0 N-CA-C 117.954 1.942 . . . . 0.0 117.954 -163.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -127.76 168.65 14.82 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.58 153.47 31.91 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.386 -1.446 . . . . 0.0 113.742 -172.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.3 115.69 28.54 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-O 123.593 1.663 . . . . 0.0 109.166 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -100.3 177.07 5.16 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.837 1.255 . . . . 0.0 111.881 -168.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 34' ' ' ILE . 3.1 mt-30 -77.15 -38.74 51.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.798 -1.814 . . . . 0.0 112.611 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -71.28 -47.52 56.41 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.056 0.942 . . . . 0.0 113.105 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.78 -23.41 63.34 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.799 -1.813 . . . . 0.0 115.149 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.42 -52.24 66.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 125.366 2.508 . . . . 0.0 112.73 165.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -64.66 -28.55 69.68 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.893 -1.755 . . . . 0.0 114.22 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.289 12.8 ptpt -62.19 -47.48 84.27 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.141 -2.224 . . . . 0.0 115.284 162.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.304 30.7 pt -60.2 -48.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.536 -1.977 . . . . 0.0 113.46 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.92 -41.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.9 m -86.66 -39.75 15.77 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.265 3.6 pt-20 -83.97 9.5 12.17 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 121.861 2.119 . . . . 0.0 114.435 -171.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.77 145.2 12.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.408 -1.432 . . . . 0.0 112.109 175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -82.87 164.86 20.24 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.09 -39.2 81.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.337 -2.727 . . . . 0.0 114.936 172.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.69 -25.57 65.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.47 -30.42 67.23 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.086 -1.634 . . . . 0.0 111.84 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -81.65 -48.16 12.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.351 -1.468 . . . . 0.0 108.39 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -48.33 -39.7 22.81 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 121.433 1.924 . . . . 0.0 115.994 164.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 m -60.85 -38.5 85.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.33 -40.26 89.78 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.582 -1.324 . . . . 0.0 112.321 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.25 -31.94 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 126.643 1.977 . . . . 0.0 114.259 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.91 -43.7 95.18 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.394 -2.066 . . . . 0.0 113.111 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.06 -29.25 17.44 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.28 76.85 1.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 104.256 -2.498 . . . . 0.0 104.256 -167.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -69.94 -67.99 0.45 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.414 -1.429 . . . . 0.0 110.342 -166.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.5 -46.9 87.48 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.977 1.711 . . . . 0.0 114.228 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -52.72 -60.76 7.51 Favored Glycine 0 N--CA 1.43 -1.7 0 C-N-CA 125.844 1.688 . . . . 0.0 115.292 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.254 0.7 OUTLIER -77.3 -27.84 53.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.726 -1.455 . . . . 0.0 109.982 -168.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.24 -60.12 3.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 122.748 2.522 . . . . 0.0 112.323 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -65.91 2.98 Favored Glycine 0 N--CA 1.43 -1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 114.314 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 76' ' ' GLY 0.251 33.5 m -70.34 -18.84 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 118.982 -2.481 . . . . 0.0 115.89 -168.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -86.57 -10.66 53.5 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.849 -1.782 . . . . 0.0 113.395 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -66.34 -42.35 88.25 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.808 -2.433 . . . . 0.0 111.13 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -72.87 -48.21 39.42 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.811 2.045 . . . . 0.0 110.998 -173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.058 -2.901 . . . . 0.0 114.03 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -71.86 -63.3 1.16 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.651 -1.281 . . . . 0.0 110.091 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.337 6.3 ptp -37.49 -40.66 0.39 Allowed 'General case' 0 N--CA 1.43 -1.465 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 173.118 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.84 7.49 23.75 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.226 0.921 . . . . 0.0 112.516 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.278 1.3 t -139.55 55.06 1.68 Allowed 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 123.841 1.781 . . . . 0.0 109.482 171.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.2 120.71 30.81 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.618 1.567 . . . . 0.0 110.245 166.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt . . . . . 0 N--CA 1.429 -1.476 0 C-N-CA 124.335 1.054 . . . . 0.0 108.278 173.06 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 N--CA 1.429 -1.484 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.456 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 40.5 mttm -112.84 -179.1 3.56 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 167.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.485 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.2 m-20 -72.31 -37.16 69.0 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.228 -1.545 . . . . 0.0 112.175 175.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 tt -69.69 -45.24 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.483 1.913 . . . . 0.0 111.717 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.28 -33.4 69.39 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.246 1.818 . . . . 0.0 111.573 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.4 m -76.84 -49.04 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 112.599 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.8 t -48.78 -37.8 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 119.704 -1.873 . . . . 0.0 113.862 171.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 10' ' ' GLU . 52.5 ttt-85 -64.38 -59.54 4.24 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 130.54 3.536 . . . . 0.0 110.58 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.63 -31.13 72.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -71.72 -28.38 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 118.257 -2.777 . . . . 0.0 113.886 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.487 HG23 HG21 ' B' ' 80' ' ' VAL . 3.9 mt -54.29 -55.28 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.553 2.341 . . . . 0.0 113.231 173.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -64.28 -29.24 70.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -72.74 -36.77 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.943 -1.723 . . . . 0.0 111.867 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.75 60.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.419 -2.676 . . . . 0.0 113.356 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 80.3 p -58.58 -30.97 67.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.353 -2.092 . . . . 0.0 115.924 168.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.594 HD11 HG13 ' A' ' 14' ' ' VAL . 1.5 mm -54.71 -48.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.436 1.494 . . . . 0.0 112.485 166.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.74 -46.34 81.42 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.613 -1.304 . . . . 0.0 112.955 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.14 -35.36 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 119.59 -1.944 . . . . 0.0 115.239 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -39.53 31.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 120.648 1.567 . . . . 0.0 114.961 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -89.61 2.42 54.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.784 1.234 . . . . 0.0 113.386 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.5 t 58.68 38.36 25.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.498 2.319 . . . . 0.0 114.787 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -102.33 47.72 0.89 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 125.74 1.616 . . . . 0.0 110.331 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.392 0.0 OUTLIER -67.73 -16.33 64.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 176.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.42 -31.38 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 123.954 1.835 . . . . 0.0 110.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -77.03 -40.99 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.362 1.865 . . . . 0.0 112.457 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.67 -19.29 57.97 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -109.78 117.22 33.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -33.6 -54.28 0.44 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.677 3.191 . . . . 0.0 112.488 164.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.37 63.88 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -79.31 -24.2 43.0 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.321 -2.112 . . . . 0.0 111.13 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -69.09 -52.34 29.43 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.636 1.974 . . . . 0.0 111.844 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mt -57.24 -39.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.49 2.716 . . . . 0.0 112.812 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.23 -50.52 69.93 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.336 1.065 . . . . 0.0 109.545 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 25.9 t80 -52.63 -39.55 61.86 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 166.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.42 -39.09 92.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.256 -1.527 . . . . 0.0 112.79 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -76.52 -16.8 59.54 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 119.531 -1.98 . . . . 0.0 112.738 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.94 -61.97 1.62 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.739 1.616 . . . . 0.0 113.363 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -88.13 -12.64 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-O 123.083 1.42 . . . . 0.0 111.395 -171.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.16 46.71 6.87 Favored Glycine 0 N--CA 1.429 -1.791 0 CA-C-O 116.789 -2.117 . . . . 0.0 116.094 172.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.36 130.68 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 123.457 3.629 . . . . 0.0 105.965 164.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -128.78 157.42 41.5 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.875 1.321 . . . . 0.0 110.664 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.456 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 49.1 t60 -80.82 -72.84 0.4 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.781 -1.2 . . . . 0.0 110.607 172.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -104.89 33.62 3.54 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.64 -1.913 . . . . 0.0 111.94 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.1 5.11 64.87 Favored Glycine 0 N--CA 1.43 -1.746 0 O-C-N 119.934 -1.728 . . . . 0.0 115.212 -170.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -105.89 163.2 12.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 117.998 0.899 . . . . 0.0 108.945 -171.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.55 117.09 8.26 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.74 124.61 27.56 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.903 1.335 . . . . 0.0 110.567 -163.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -87.92 162.42 16.91 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.94 -1.1 . . . . 0.0 112.693 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.05 -40.96 78.23 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.87 -1.769 . . . . 0.0 112.66 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -67.97 -43.81 78.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.117 1.767 . . . . 0.0 112.178 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.6 m -72.73 -27.34 61.98 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.0 -1.688 . . . . 0.0 113.791 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.17 -49.5 69.55 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.041 1.401 . . . . 0.0 110.35 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -68.84 -29.55 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.767 -1.208 . . . . 0.0 113.27 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.327 10.3 ptpt -60.93 -56.54 19.88 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 164.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.324 26.0 pt -50.0 -46.08 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.68 -43.88 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -77.18 -50.98 11.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.281 4.8 pt-20 -81.59 13.44 3.1 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -169.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.452 HD11 HG21 ' B' ' 8' ' ' VAL . 38.8 mt -54.99 148.29 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 112.703 168.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -89.01 172.05 9.41 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.186 -1.571 . . . . 0.0 109.67 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.26 -45.93 76.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.572 -1.33 . . . . 0.0 113.111 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -61.7 -38.02 86.31 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.479 1.912 . . . . 0.0 114.123 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -63.41 -42.22 98.74 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.412 1.101 . . . . 0.0 112.994 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -73.87 -37.96 64.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.456 -1.402 . . . . 0.0 112.101 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.62 -37.39 75.78 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.531 0.733 . . . . 0.0 112.072 166.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.6 m -65.19 -37.74 88.28 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.164 -0.96 . . . . 0.0 112.665 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.62 -55.95 19.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.313 -1.492 . . . . 0.0 113.068 168.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.99 -46.13 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.478 1.911 . . . . 0.0 115.206 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.95 -36.33 81.1 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.362 -1.461 . . . . 0.0 114.894 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -103.93 -37.03 7.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 119.797 -1.814 . . . . 0.0 112.671 -168.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -113.07 70.11 0.71 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.536 1.534 . . . . 0.0 108.386 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -54.25 -66.93 0.31 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.494 1.517 . . . . 0.0 111.902 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.91 -47.48 65.68 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.45 1.5 . . . . 0.0 113.637 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.79 28.09 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 120.618 3.007 . . . . 0.0 120.618 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.251 0.1 OUTLIER -74.05 -33.05 63.57 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.92 1.86 . . . . 0.0 109.391 -172.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -55.03 -49.54 71.31 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.899 -1.751 . . . . 0.0 113.755 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.96 -70.09 1.09 Allowed Glycine 0 N--CA 1.43 -1.735 0 N-CA-C 114.982 0.753 . . . . 0.0 114.982 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.487 HG21 HG23 ' B' ' 12' ' ' ILE . 30.2 m -65.99 -21.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.5 -2.176 . . . . 0.0 115.534 -171.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -79.44 -19.17 50.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 120.298 1.408 . . . . 0.0 112.599 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.06 -44.27 96.27 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.873 -2.392 . . . . 0.0 111.18 162.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -65.03 -61.44 2.15 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 128.078 2.551 . . . . 0.0 109.374 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.77 -26.23 57.13 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.51 -1.994 . . . . 0.0 115.42 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -82.72 -36.52 25.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.424 -1.423 . . . . 0.0 109.926 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 9.9 ptp -80.63 -26.07 37.96 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -86.72 -8.37 57.47 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.878 -1.139 . . . . 0.0 112.283 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.316 14.6 t -141.28 69.56 1.34 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 122.768 1.27 . . . . 0.0 111.779 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -106.21 129.09 54.33 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 167.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mttm . . . . . 0 N--CA 1.43 -1.44 0 O-C-N 120.287 -1.508 . . . . 0.0 110.231 161.138 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 17.0 mtpp -115.56 -170.5 1.79 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -65.7 -55.83 15.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.446 1.499 . . . . 0.0 112.121 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 tt -41.36 -45.22 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -58.99 -53.36 59.28 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.37 1.868 . . . . 0.0 112.065 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -66.14 -32.7 74.3 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.382 -1.449 . . . . 0.0 114.363 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.39 -43.95 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.11 -2.869 . . . . 0.0 113.268 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.272 55.3 ttt180 -51.99 -58.02 7.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.992 2.917 . . . . 0.0 114.413 174.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.655 -1.278 . . . . 0.0 113.837 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.7 -39.69 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.111 -1.618 . . . . 0.0 111.226 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.8 mt -53.47 -40.08 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 127.262 2.225 . . . . 0.0 116.079 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 p -71.82 -41.02 68.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.957 -1.09 . . . . 0.0 111.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -58.31 -43.52 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 126.235 1.814 . . . . 0.0 114.999 168.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.99 95.16 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.07 -1.644 . . . . 0.0 112.043 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 p -70.83 -10.92 60.54 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 172.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 17' ' ' ILE . 34.0 mm -63.79 -51.27 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 120.179 1.354 . . . . 0.0 110.104 164.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 26' ' ' ILE . 3.1 mp -63.45 -33.35 75.36 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.601 -1.312 . . . . 0.0 112.344 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mt -77.44 -26.04 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.191 -1.568 . . . . 0.0 112.518 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.3 -44.98 96.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.747 -1.846 . . . . 0.0 113.369 164.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -87.53 -2.06 58.36 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.902 -1.749 . . . . 0.0 113.944 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t 64.8 41.82 4.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.461 1.904 . . . . 0.0 114.733 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -111.76 36.93 3.09 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.285 2.234 . . . . 0.0 110.735 174.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.388 0.0 OUTLIER -55.53 -24.26 31.0 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 176.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -33.78 -51.16 0.38 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 128.808 2.843 . . . . 0.0 117.274 163.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 18' ' ' LEU . 4.2 mt -66.82 -36.83 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.18 1.392 . . . . 0.0 112.203 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.45 -36.7 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.855 1.662 . . . . 0.0 113.264 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.263 1.6 pt-20 -67.2 -19.58 65.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 120.5 3.519 . . . . 0.0 120.5 -163.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -114.55 127.92 56.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.752 -1.843 . . . . 0.0 110.779 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -33.95 -61.95 0.33 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.738 3.215 . . . . 0.0 113.786 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.48 34.49 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -48.91 -38.26 22.19 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.96 -51.26 65.18 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.389 1.475 . . . . 0.0 114.941 170.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -51.07 -41.29 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 128.025 2.53 . . . . 0.0 114.822 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.25 93.89 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.736 -1.227 . . . . 0.0 113.112 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.0 -41.57 99.62 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.068 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.47 -44.45 76.48 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.163 -1.585 . . . . 0.0 114.564 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.39 -18.73 61.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.687 -1.883 . . . . 0.0 116.077 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -72.44 -50.52 25.66 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.312 -1.492 . . . . 0.0 109.911 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -7.56 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.771 -1.205 . . . . 0.0 113.282 -176.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.05 43.19 7.23 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 116.772 1.469 . . . . 0.0 116.772 173.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.02 123.87 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 119.302 1.551 . . . . 0.0 108.493 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -107.32 156.83 18.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.132 1.373 . . . . 0.0 109.713 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.539 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.339 4.1 t60 -73.87 -108.83 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 121.403 -0.81 . . . . 0.0 113.179 155.196 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CD ' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mp0 -93.02 54.11 2.1 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 118.42 -2.675 . . . . 0.0 110.968 -178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.06 22.74 73.33 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -129.17 156.71 43.49 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 169.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -81.21 153.45 27.18 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.093 -1.004 . . . . 0.0 109.922 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.48 128.38 44.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 123.045 1.402 . . . . 0.0 112.507 -144.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.26 157.67 17.02 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.159 -1.588 . . . . 0.0 112.21 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.02 -41.94 90.3 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.845 -1.784 . . . . 0.0 114.298 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -70.6 -45.57 65.04 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.154 1.382 . . . . 0.0 111.802 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -73.64 -18.65 61.01 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.42 -46.12 91.18 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 124.605 2.145 . . . . 0.0 111.042 163.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.46 -32.23 73.46 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.314 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.271 12.0 ptpt -65.47 -42.82 91.84 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.067 -1.645 . . . . 0.0 114.638 168.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 25.5 pt -62.15 -47.9 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.662 -1.274 . . . . 0.0 112.52 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.0 -38.04 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -78.88 -55.43 5.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.02 13.27 13.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.57 152.85 0.19 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.654 1.982 . . . . 0.0 115.225 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -82.98 174.28 11.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.72 -1.863 . . . . 0.0 109.354 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -70.79 -38.7 73.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.661 -1.899 . . . . 0.0 110.559 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.159 -2.213 . . . . 0.0 114.968 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -67.56 -30.07 69.61 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.601 1.191 . . . . 0.0 114.191 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.64 -38.54 47.6 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.35 -28.14 62.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.155 -1.591 . . . . 0.0 112.586 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.4 m -61.55 -40.97 96.6 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.844 -1.16 . . . . 0.0 113.287 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.07 -34.51 71.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.686 -1.259 . . . . 0.0 113.385 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.62 -36.8 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 112.423 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.49 -34.86 78.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.818 -2.426 . . . . 0.0 114.828 172.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -88.85 -25.42 22.18 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.424 -1.423 . . . . 0.0 114.125 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -146.93 70.08 1.19 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 119.626 -1.921 . . . . 0.0 106.757 -171.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -51.99 -71.68 0.06 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -167.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -33.2 62.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.047 1.339 . . . . 0.0 112.067 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -46.84 76.51 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 124.651 1.119 . . . . 0.0 114.455 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.387 0.2 OUTLIER -71.0 -45.11 64.55 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 119.523 1.662 . . . . 0.0 111.161 178.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -43.42 -52.47 5.96 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.701 2.046 . . . . 0.0 115.982 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.32 -60.33 6.43 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.974 -1.079 . . . . 0.0 114.839 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.2 m -69.12 -20.37 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 119.568 -2.137 . . . . 0.0 113.737 -171.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -80.78 -24.74 38.4 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.206 -1.559 . . . . 0.0 112.961 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.25 8.1 mmt-85 -62.84 -38.51 91.07 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.632 -1.918 . . . . 0.0 111.968 167.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.77 -59.88 4.5 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.729 1.612 . . . . 0.0 107.314 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.98 -29.94 65.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.77 -39.52 73.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.576 1.08 . . . . 0.0 112.506 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 ptp -85.81 -17.43 35.75 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.693 -1.254 . . . . 0.0 112.378 -165.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.6 m-30 -88.38 -5.37 58.33 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.232 2.213 . . . . 0.0 112.666 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.58 87.95 2.56 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 172.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.08 114.43 16.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.457 1.103 . . . . 0.0 108.92 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.429 -1.48 0 C-N-CA 124.829 1.252 . . . . 0.0 109.074 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.48 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 19.9 mtpp -115.47 -162.39 0.83 Allowed 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 121.954 0.883 . . . . 0.0 108.632 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 86.0 m-20 -67.98 -51.86 42.51 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.612 -1.93 . . . . 0.0 110.418 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -54.74 -47.11 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 128.928 2.891 . . . . 0.0 113.904 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -62.06 -34.67 76.7 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.862 1.665 . . . . 0.0 112.637 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -74.08 -44.95 52.21 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 120.732 -1.23 . . . . 0.0 112.07 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' ASN . 5.5 t -53.1 -41.7 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 118.933 -2.354 . . . . 0.0 112.913 170.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -59.72 -53.57 56.41 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.036 2.134 . . . . 0.0 114.594 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.54 -37.17 86.3 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.88 -32.36 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.94 -1.725 . . . . 0.0 113.337 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.69 -54.12 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.006 2.122 . . . . 0.0 111.561 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -65.2 -31.88 73.27 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.477 1.511 . . . . 0.0 114.941 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 17' ' ' ILE . 2.1 t -65.86 -40.51 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 CA-C-O 122.379 1.085 . . . . 0.0 113.068 169.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.65 53.2 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 119.209 -2.182 . . . . 0.0 112.551 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 92.5 p -64.66 -27.68 69.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 119.7 -1.875 . . . . 0.0 114.355 170.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.528 HD11 HG13 ' A' ' 14' ' ' VAL . 1.2 mm -57.68 -46.94 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.254 1.022 . . . . 0.0 113.275 167.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.15 -40.52 81.58 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.192 -0.942 . . . . 0.0 111.991 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.4 -35.81 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.188 -1.57 . . . . 0.0 114.794 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -40.96 59.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.028 1.74 . . . . 0.0 113.549 168.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -90.67 7.95 36.84 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.4 t 52.88 41.97 31.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.504 2.322 . . . . 0.0 114.81 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -108.0 49.59 0.8 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.828 1.651 . . . . 0.0 109.748 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.273 0.0 OUTLIER -70.94 -15.28 62.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.654 -1.904 . . . . 0.0 114.84 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.22 -33.75 54.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 167.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.72 -29.0 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.786 -1.196 . . . . 0.0 110.983 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.12 -41.81 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.548 1.539 . . . . 0.0 111.843 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.2 -2.44 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 130.695 3.598 . . . . 0.0 119.778 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.52 133.49 36.55 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.415 -2.053 . . . . 0.0 109.579 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -42.01 -63.48 0.73 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.316 2.646 . . . . 0.0 113.635 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.95 63.25 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -58.77 -25.6 63.22 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.86 -54.47 22.02 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.405 HG21 ' HG2' ' B' ' 51' ' ' GLN . 30.7 mt -54.14 -38.89 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.313 3.445 . . . . 0.0 113.947 171.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.41 72.76 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.773 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.292 2.9 t80 -60.2 -36.68 78.2 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 171.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.41 -43.88 84.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.54 -1.975 . . . . 0.0 112.266 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -80.27 -9.29 59.73 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.292 -1.505 . . . . 0.0 114.602 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.56 -63.24 1.11 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.866 0.841 . . . . 0.0 109.925 164.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 pt -83.18 -22.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 120.757 -1.214 . . . . 0.0 114.19 -166.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.04 31.87 6.73 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 120.575 -1.328 . . . . 0.0 116.09 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.275 2.3 t -69.44 121.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 117.908 0.854 . . . . 0.0 111.568 167.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.9 p -109.11 154.2 22.63 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.853 -172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.48 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 4.6 t60 -73.26 -83.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.817 -1.177 . . . . 0.0 112.909 161.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.46 52.08 0.72 Allowed 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.747 -1.221 . . . . 0.0 111.735 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 16.25 76.05 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.758 -1.214 . . . . 0.0 115.142 -175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -134.57 155.23 50.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.931 1.692 . . . . 0.0 107.29 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -73.45 148.76 42.93 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.956 -1.715 . . . . 0.0 114.218 -169.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.86 124.64 40.89 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 122.602 1.192 . . . . 0.0 113.949 -162.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.64 157.07 16.68 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.054 1.742 . . . . 0.0 111.937 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 34' ' ' ILE . 86.6 mt-30 -67.73 -44.8 76.72 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.753 -1.842 . . . . 0.0 115.736 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -72.87 -32.16 65.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.977 -1.702 . . . . 0.0 112.777 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 26.0 m -81.68 -20.56 39.28 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.728 1.611 . . . . 0.0 113.959 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -64.45 -46.16 84.31 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 123.635 1.683 . . . . 0.0 109.617 165.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.17 -34.37 77.39 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.56 -1.337 . . . . 0.0 112.337 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.344 12.9 ptpt -58.95 -52.35 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.313 43.0 pt -54.11 -38.2 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -89.31 -41.66 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -70.53 -56.78 5.74 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.655 -1.903 . . . . 0.0 113.406 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.34 15.2 pt-20 -86.63 12.21 11.12 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.091 1.885 . . . . 0.0 116.091 -168.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.4 mt -49.3 138.15 13.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.797 -1.19 . . . . 0.0 112.491 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 46.9 p -77.92 168.27 20.17 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.965 -1.709 . . . . 0.0 110.772 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.32 -42.19 95.1 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.162 -1.586 . . . . 0.0 111.774 173.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.33 -26.65 64.81 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.79 -39.27 76.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.456 -2.028 . . . . 0.0 111.803 169.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.7 -42.28 51.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.745 -1.847 . . . . 0.0 110.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -56.25 -35.08 67.0 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 124.234 1.014 . . . . 0.0 113.478 166.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.6 m -59.41 -45.12 92.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 118.915 0.779 . . . . 0.0 112.879 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.2 mt -66.74 -45.93 77.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.31 1.044 . . . . 0.0 112.527 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -50.18 -44.18 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.575 2.35 . . . . 0.0 113.781 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -61.0 -40.88 95.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.297 -1.502 . . . . 0.0 114.677 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -99.81 -29.46 12.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -166.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.26 75.3 0.92 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.219 -1.551 . . . . 0.0 109.722 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -60.51 -73.42 0.09 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -169.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.52 -35.42 73.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.673 -1.267 . . . . 0.0 112.351 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.58 -58.33 4.22 Favored Glycine 0 N--CA 1.43 -1.724 0 C-N-CA 124.692 1.139 . . . . 0.0 110.44 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.343 1.0 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.051 1.926 . . . . 0.0 111.419 -172.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.94 -54.13 13.74 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 122.767 2.53 . . . . 0.0 114.845 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.75 -58.85 9.75 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.899 -1.125 . . . . 0.0 115.424 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.26 -20.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 118.512 -2.758 . . . . 0.0 113.739 -169.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -72.93 -22.68 60.69 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.14 -2.225 . . . . 0.0 113.163 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -61.7 -48.16 82.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 115.95 -2.3 . . . . 0.0 112.526 162.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -65.52 -52.3 53.66 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.675 1.59 . . . . 0.0 110.817 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.99 -35.26 74.63 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.509 -1.995 . . . . 0.0 113.911 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.89 -37.91 58.35 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 118.955 -2.341 . . . . 0.0 111.632 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.3 ptp -80.38 -19.05 47.21 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 122.786 1.279 . . . . 0.0 114.406 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -85.21 -13.92 48.45 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.167 -1.583 . . . . 0.0 110.78 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -129.37 78.05 1.83 Allowed 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 171.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -91.71 117.96 30.23 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt . . . . . 0 N--CA 1.43 -1.433 0 O-C-N 120.951 -1.093 . . . . 0.0 108.866 -178.685 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 N--CA 1.429 -1.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -131.43 -163.27 1.31 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.522 1.529 . . . . 0.0 107.777 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -45.56 -52.46 10.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.199 2.999 . . . . 0.0 114.519 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -41.45 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.228 2.611 . . . . 0.0 113.328 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -66.07 -36.27 82.74 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.893 1.277 . . . . 0.0 113.701 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.9 m -74.71 -45.79 41.87 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.975 -1.703 . . . . 0.0 111.019 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -48.49 -36.5 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.139 1.776 . . . . 0.0 114.848 168.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -60.18 -60.1 4.36 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.027 2.131 . . . . 0.0 112.348 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.96 -30.63 71.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG12 HG11 ' A' ' 42' ' ' VAL . 55.3 mt -73.8 -29.92 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.942 -2.349 . . . . 0.0 113.12 173.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -56.61 -56.76 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.12 -2.238 . . . . 0.0 113.542 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.476 HG21 HG22 ' B' ' 42' ' ' VAL . 7.4 p -54.58 -46.47 73.75 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.99 1.716 . . . . 0.0 113.513 175.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.62 -38.16 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 125.791 1.636 . . . . 0.0 113.093 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.16 60.08 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 117.771 -3.081 . . . . 0.0 113.038 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 p -59.76 -30.9 69.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -52.8 -48.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.836 1.654 . . . . 0.0 113.622 165.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.59 -46.47 80.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.96 -37.51 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.032 -2.292 . . . . 0.0 114.833 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -45.9 39.32 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.137 1.775 . . . . 0.0 113.711 166.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -84.74 8.8 15.85 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t 61.5 31.44 18.97 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 126.932 2.093 . . . . 0.0 114.482 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -110.91 51.51 0.77 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.624 1.57 . . . . 0.0 110.092 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -1.9 38.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.902 -1.749 . . . . 0.0 113.295 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -55.51 -40.18 71.45 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 128.062 2.545 . . . . 0.0 114.298 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.72 -37.45 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.007 1.723 . . . . 0.0 110.516 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.43 -35.89 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 126.111 1.764 . . . . 0.0 111.752 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.4 tt0 -57.55 1.94 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.23 147.78 29.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.637 -2.539 . . . . 0.0 108.977 168.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -55.49 15.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.886 1.675 . . . . 0.0 114.103 171.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.21 -52.92 56.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -166.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -50.64 -32.97 20.56 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.741 2.016 . . . . 0.0 115.314 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.85 -44.26 32.97 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 124.975 1.31 . . . . 0.0 111.986 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.96 -39.38 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 128.23 2.612 . . . . 0.0 113.025 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.28 64.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.562 1.173 . . . . 0.0 110.059 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.276 24.7 t80 -46.79 -44.3 19.06 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.589 2.441 . . . . 0.0 117.589 161.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -39.18 72.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.399 -2.063 . . . . 0.0 113.731 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -82.81 -20.47 35.68 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.822 -1.799 . . . . 0.0 112.46 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.08 -42.22 73.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.309 1.444 . . . . 0.0 114.213 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.08 -20.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 177.403 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 46.65 4.97 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 117.208 1.643 . . . . 0.0 117.208 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 HD11 ' A' ' 40' ' ' ILE . 47.2 t -84.93 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 123.339 3.57 . . . . 0.0 107.356 164.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -116.06 160.26 20.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.118 0.961 . . . . 0.0 109.482 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.305 8.7 t60 -76.67 -98.48 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.644 -1.285 . . . . 0.0 112.652 168.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -95.1 54.08 1.63 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.288 -2.132 . . . . 0.0 109.897 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.09 7.46 84.37 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 114.646 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.57 147.1 42.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.402 1.081 . . . . 0.0 111.104 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.54 126.78 29.95 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.63 1.572 . . . . 0.0 111.855 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.97 126.14 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.335 -1.478 . . . . 0.0 113.627 -157.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -85.35 147.38 26.55 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.889 1.676 . . . . 0.0 111.683 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -53.33 -48.84 68.11 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.048 2.139 . . . . 0.0 116.439 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -77.09 -35.37 56.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.122 -1.611 . . . . 0.0 112.219 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -80.13 -13.57 59.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -67.52 -50.13 60.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.656 1.983 . . . . 0.0 109.792 164.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HB3' HH11 ' A' ' 55' ' ' ARG . 0.7 OUTLIER -66.32 -30.85 71.34 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.847 1.259 . . . . 0.0 111.419 -176.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.434 13.1 ptpt -59.26 -63.97 1.11 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 160.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.313 30.8 pt -45.63 -42.16 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.63 -42.85 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 120.97 -1.081 . . . . 0.0 113.643 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -74.83 -47.12 32.18 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.866 1.667 . . . . 0.0 115.115 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.4 10.27 9.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -165.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.34 143.73 22.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.169 -1.582 . . . . 0.0 112.224 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 p -82.38 171.0 14.67 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.266 -2.146 . . . . 0.0 108.483 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.75 -44.33 73.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.708 -1.245 . . . . 0.0 112.863 171.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.54 -39.74 94.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.21 -38.61 83.88 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 126.645 1.978 . . . . 0.0 110.808 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.56 -42.68 41.92 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.916 2.086 . . . . 0.0 110.559 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -60.66 -30.86 70.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.906 -1.121 . . . . 0.0 113.376 167.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 m -63.09 -42.01 99.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.898 -1.127 . . . . 0.0 112.73 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.1 -44.63 83.77 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.695 -1.253 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.62 -44.5 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 120.272 -1.517 . . . . 0.0 114.883 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -55.16 -42.83 73.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.946 -1.721 . . . . 0.0 114.756 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.22 -34.51 11.61 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -119.84 51.84 1.15 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.488 -2.008 . . . . 0.0 110.552 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -39.52 -72.59 0.06 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.1 2.16 . . . . 0.0 116.532 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -71.32 -51.25 25.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.195 1.798 . . . . 0.0 112.737 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.37 93.82 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 118.477 -1.18 . . . . 0.0 114.942 -175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.369 1.0 OUTLIER -70.75 -45.81 64.12 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.122 -176.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.84 -54.07 3.52 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.417 2.371 . . . . 0.0 115.862 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.41 -60.33 7.21 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 114.848 0.699 . . . . 0.0 114.848 176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.16 -21.02 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 118.491 -2.77 . . . . 0.0 113.412 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -78.42 -23.8 46.49 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.693 -1.88 . . . . 0.0 113.632 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 mmm-85 -61.56 -40.6 95.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 120.478 1.49 . . . . 0.0 111.161 167.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.11 -50.68 53.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.842 1.657 . . . . 0.0 108.481 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.13 -46.69 87.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.004 -1.685 . . . . 0.0 111.298 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.99 -49.77 65.5 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.4 ptp -77.28 -20.31 55.26 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 121.124 -0.985 . . . . 0.0 113.563 -169.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.9 m-30 -88.44 -0.93 57.73 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.057 0.943 . . . . 0.0 111.979 -175.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.253 2.2 t -128.14 42.88 3.24 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 122.684 1.231 . . . . 0.0 108.033 167.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.22 118.05 23.36 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.975 -1.703 . . . . 0.0 108.89 160.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 N--CA 1.43 -1.455 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.741 -175.107 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 N--CA 1.43 -1.474 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -120.21 -153.78 0.55 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.425 -2.047 . . . . 0.0 107.05 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -61.1 -52.01 66.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.981 2.113 . . . . 0.0 115.828 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -52.9 -41.6 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.929 2.491 . . . . 0.0 115.586 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -65.63 -20.82 66.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.767 2.027 . . . . 0.0 112.642 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -78.88 -49.35 13.02 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.398 -1.439 . . . . 0.0 109.966 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.456 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.7 t -58.96 -37.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 119.009 -2.307 . . . . 0.0 114.063 176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -49.63 -62.63 1.45 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 129.395 3.078 . . . . 0.0 112.516 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.98 -27.97 68.54 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mt -80.42 -29.76 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.263 -2.148 . . . . 0.0 112.194 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.69 -41.63 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.608 1.963 . . . . 0.0 113.308 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . 0.405 HG21 HG22 ' A' ' 42' ' ' VAL . 12.5 p -75.96 -38.45 57.5 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 121.763 0.792 . . . . 0.0 113.097 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.432 HG13 ' CD1' ' A' ' 17' ' ' ILE . 27.6 t -51.46 -48.44 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-O 124.223 1.963 . . . . 0.0 113.938 163.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.74 62.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.57 -1.331 . . . . 0.0 110.537 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -74.28 -18.51 60.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.955 -1.716 . . . . 0.0 113.376 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -62.46 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-N 120.217 1.371 . . . . 0.0 110.402 164.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.571 HD23 HG22 ' B' ' 17' ' ' ILE . 9.8 mt -65.55 -28.23 69.01 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.239 -2.163 . . . . 0.0 114.937 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.252 44.2 mt -77.26 -29.4 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 120.188 -1.57 . . . . 0.0 110.352 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.77 91.91 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.154 1.782 . . . . 0.0 114.134 170.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.539 ' CE2' HG23 ' B' ' 17' ' ' ILE . 31.3 m-85 -94.38 8.98 40.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 O-C-N 119.925 -1.734 . . . . 0.0 113.812 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t 70.59 43.18 0.79 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.774 1.23 . . . . 0.0 113.886 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -121.34 31.83 6.17 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.87 2.468 . . . . 0.0 110.978 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.313 0.0 OUTLIER -61.9 -1.86 0.74 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 175.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.49 -26.96 63.84 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.417 -1.427 . . . . 0.0 112.084 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.56 -39.33 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.06 1.744 . . . . 0.0 111.127 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 t -74.72 -27.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 120.124 -1.61 . . . . 0.0 112.763 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 8.0 tm-20 -72.14 -11.81 60.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.329 2.252 . . . . 0.0 115.014 -171.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.76 124.11 21.96 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.92 -1.112 . . . . 0.0 110.049 170.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -49.61 60.76 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.102 1.761 . . . . 0.0 113.596 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.96 66.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 117.41 -3.306 . . . . 0.0 118.716 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.43 -32.1 26.26 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.791 -1.818 . . . . 0.0 111.018 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.79 -52.84 63.37 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.104 1.761 . . . . 0.0 111.3 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.58 -43.86 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 130.182 3.393 . . . . 0.0 113.534 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.63 68.68 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 174.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.12 39.21 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.081 173.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.0 -46.34 85.4 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.688 -1.882 . . . . 0.0 112.756 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -81.04 -9.2 59.86 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.443 -2.036 . . . . 0.0 113.768 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -70.87 -49.92 40.82 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.691 -1.256 . . . . 0.0 111.916 168.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.518 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -90.18 -12.62 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.484 -1.385 . . . . 0.0 114.21 -176.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.97 43.28 6.04 Favored Glycine 0 N--CA 1.43 -1.756 0 N-CA-C 116.435 1.334 . . . . 0.0 116.435 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.518 HG23 HD11 ' B' ' 40' ' ' ILE . 17.4 t -96.68 127.57 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 119.353 1.577 . . . . 0.0 106.777 160.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -140.11 164.99 28.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -81.23 -67.81 0.75 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.93 0.871 . . . . 0.0 112.854 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -113.01 32.47 5.69 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.218 -1.551 . . . . 0.0 110.022 -170.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.05 15.72 60.96 Favored Glycine 0 N--CA 1.429 -1.776 0 O-C-N 119.788 -1.82 . . . . 0.0 115.511 -165.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -112.7 152.01 29.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.27 133.75 50.29 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.91 -1.744 . . . . 0.0 112.395 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -86.29 116.28 24.36 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.304 1.05 . . . . 0.0 109.757 -157.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.51 161.51 18.54 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -166.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.66 -42.21 78.22 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.396 -1.44 . . . . 0.0 114.577 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -71.59 -47.11 56.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.359 1.464 . . . . 0.0 111.931 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -70.33 -23.57 62.85 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.334 -2.104 . . . . 0.0 115.923 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.73 -51.9 67.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.773 -1.829 . . . . 0.0 112.147 163.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -65.85 -20.65 66.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.645 -1.284 . . . . 0.0 114.26 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER -68.81 -45.69 70.57 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.45 -2.031 . . . . 0.0 115.155 165.253 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.328 6.9 pt -57.12 -55.78 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 121.081 1.764 . . . . 0.0 112.741 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.46 -25.55 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -80.67 -49.13 11.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.18 11.4 9.95 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -160.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.64 146.34 25.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.471 1.508 . . . . 0.0 111.161 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -86.52 170.93 11.47 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.223 -1.548 . . . . 0.0 107.066 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -61.07 -40.78 94.98 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.252 -2.155 . . . . 0.0 112.43 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.41 -35.51 70.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.077 2.151 . . . . 0.0 115.305 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.31 -36.24 63.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.434 -1.416 . . . . 0.0 113.751 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -73.1 -44.83 59.87 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.745 -1.222 . . . . 0.0 109.935 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -52.66 -40.62 63.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 120.525 1.511 . . . . 0.0 114.048 164.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -59.7 -39.43 84.56 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 175.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.2 -45.6 66.29 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.353 -1.467 . . . . 0.0 112.991 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.23 -48.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.872 2.069 . . . . 0.0 113.099 171.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -59.44 -45.73 90.74 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.91 1.684 . . . . 0.0 114.692 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -100.21 -27.6 13.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.815 -1.178 . . . . 0.0 113.982 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.16 60.66 0.78 Allowed 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -53.47 -70.16 0.1 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.528 1.931 . . . . 0.0 114.989 -167.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -57.39 -56.51 20.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.775 1.63 . . . . 0.0 114.23 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.569 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -57.24 -50.77 62.0 Favored Glycine 0 N--CA 1.431 -1.672 0 C-N-CA 125.759 1.647 . . . . 0.0 115.394 -173.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.315 0.5 OUTLIER -78.43 -35.77 46.47 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 119.681 1.741 . . . . 0.0 111.823 -175.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -54.02 -55.24 29.16 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 122.759 2.527 . . . . 0.0 114.809 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.69 7.1 Favored Glycine 0 N--CA 1.43 -1.747 0 CA-C-O 122.837 1.243 . . . . 0.0 114.907 173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.569 HG22 ' O ' ' B' ' 76' ' ' GLY . 16.2 m -64.91 -26.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.722 -2.046 . . . . 0.0 115.759 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.04 -15.5 58.87 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.806 -1.809 . . . . 0.0 112.912 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -63.68 -49.42 73.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.492 -2.005 . . . . 0.0 111.084 160.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . 0.4 ' HA ' ' HE3' ' B' ' 86' ' ' MET . 7.6 m-85 -64.76 -59.76 3.87 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 126.558 1.943 . . . . 0.0 110.491 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -51.98 -36.38 49.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.841 -1.787 . . . . 0.0 114.956 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -77.37 -36.78 53.31 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.906 -1.121 . . . . 0.0 112.036 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 83' ' ' TYR . 12.4 ptp -75.02 -29.09 60.74 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.832 -1.793 . . . . 0.0 113.427 -173.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 21.6 m-85 -88.35 12.78 13.19 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.464 1.506 . . . . 0.0 112.623 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.453 0.2 OUTLIER -126.88 9.88 6.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.172 1.389 . . . . 0.0 109.505 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -96.16 106.42 18.61 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 167.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . 0.453 ' HD3' ' H ' ' B' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.451 0 O-C-N 120.343 -1.473 . . . . 0.0 112.645 -159.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.46 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.585 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 12.9 mptt -111.21 -150.92 0.47 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.332 -1.48 . . . . 0.0 110.813 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -68.8 -52.14 33.36 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.602 -2.562 . . . . 0.0 112.956 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.02 -45.38 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.128 2.571 . . . . 0.0 113.166 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.16 -42.71 66.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.742 2.017 . . . . 0.0 115.129 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -83.49 -32.08 26.15 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 123.623 0.769 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.35 -38.28 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 O-C-N 119.333 -2.105 . . . . 0.0 113.06 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -66.56 -48.08 70.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.956 2.102 . . . . 0.0 113.528 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.96 -51.17 43.42 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.391 1.476 . . . . 0.0 112.034 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -77.43 -23.68 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.397 -1.439 . . . . 0.0 113.737 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.02 -62.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 118.475 -2.64 . . . . 0.0 112.178 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -59.11 -36.27 74.87 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.779 1.232 . . . . 0.0 112.628 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 17' ' ' ILE . 2.3 t -58.86 -42.86 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.76 1.624 . . . . 0.0 114.93 169.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.24 -38.73 68.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 118.03 -2.919 . . . . 0.0 110.459 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -25.3 67.43 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.586 HG21 HG21 ' B' ' 17' ' ' ILE . 7.2 mm -55.97 -50.76 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-N 120.249 1.386 . . . . 0.0 110.505 164.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD23 ' HB ' ' A' ' 26' ' ' ILE . 4.1 mp -57.97 -43.75 86.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 122.723 0.409 . . . . 0.0 111.743 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -76.93 -19.43 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 O-C-N 118.791 -2.443 . . . . 0.0 113.674 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -44.18 97.28 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.294 -2.754 . . . . 0.0 110.953 166.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.01 -2.56 44.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.216 1.806 . . . . 0.0 113.422 172.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t 52.51 47.57 24.42 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -110.31 58.64 0.61 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.868 1.667 . . . . 0.0 110.875 168.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.351 0.0 OUTLIER -69.15 -11.17 60.56 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 178.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -35.69 26.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.149 2.58 . . . . 0.0 116.453 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.411 ' HB ' HD23 ' A' ' 18' ' ' LEU . 37.1 mt -75.1 -33.68 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.283 -1.511 . . . . 0.0 111.108 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.45 -34.88 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.54 -1.35 . . . . 0.0 111.229 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 41.6 tt0 -50.51 -13.75 0.15 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 129.765 3.226 . . . . 0.0 119.411 -177.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.48 133.33 32.58 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.598 -1.939 . . . . 0.0 109.014 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -54.49 -48.03 72.32 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 124.659 1.184 . . . . 0.0 113.38 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.72 -51.64 68.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.357 -1.464 . . . . 0.0 114.505 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -54.35 -34.05 60.29 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -71.03 -49.43 45.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.564 1.546 . . . . 0.0 112.288 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 51' ' ' GLN . 48.7 mt -50.17 -42.38 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 129.06 2.944 . . . . 0.0 114.587 168.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.88 31.63 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.22 -42.36 14.11 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.011 2.124 . . . . 0.0 114.262 169.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.22 -45.57 75.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 120.353 1.433 . . . . 0.0 114.252 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -76.12 -23.33 54.87 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.726 -1.859 . . . . 0.0 113.764 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.95 -47.1 72.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.353 -1.467 . . . . 0.0 112.899 171.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.427 HG21 HD13 ' B' ' 17' ' ' ILE . 33.8 pt -82.5 -19.98 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 O-C-N 120.731 -1.231 . . . . 0.0 112.578 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.15 24.77 13.87 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-O 117.968 -1.462 . . . . 0.0 116.365 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.61 125.43 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.948 3.874 . . . . 0.0 109.832 172.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -107.89 157.34 18.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.585 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.254 7.9 t60 -79.84 -96.73 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.244 -0.91 . . . . 0.0 112.847 169.235 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -91.58 50.1 1.67 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.757 -1.84 . . . . 0.0 110.199 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.34 -0.34 69.01 Favored Glycine 0 N--CA 1.43 -1.741 0 O-C-N 120.847 -1.158 . . . . 0.0 114.949 -170.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -125.89 169.33 12.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.972 -1.311 . . . . 0.0 110.449 -167.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -67.8 127.05 31.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.73 120.38 27.09 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.357 1.551 . . . . 0.0 111.594 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -100.0 175.59 5.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.295 1.438 . . . . 0.0 112.298 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 34' ' ' ILE . 48.7 tt0 -72.91 -46.63 51.53 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.053 -1.654 . . . . 0.0 113.707 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -66.33 -43.92 84.76 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.205 1.402 . . . . 0.0 111.912 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -74.14 -18.33 60.8 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.506 1.522 . . . . 0.0 114.137 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -70.37 -46.43 64.09 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 123.669 1.7 . . . . 0.0 110.676 169.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' HB2' HH11 ' A' ' 55' ' ' ARG . 2.3 mtp-105 -63.1 -35.4 80.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.272 -2.142 . . . . 0.0 112.166 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -25.1 62.97 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 174.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.36 40.4 pt -68.0 -45.33 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 121.1 -1.0 . . . . 0.0 113.54 168.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.72 -43.51 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -78.51 -55.23 5.37 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -167.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.24 11.76 2.7 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.003 2.224 . . . . 0.0 117.003 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.11 148.99 7.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 126.129 1.771 . . . . 0.0 114.7 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.4 p -89.91 172.87 8.57 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.42 -1.425 . . . . 0.0 109.439 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -58.57 -45.24 89.43 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.228 -1.545 . . . . 0.0 112.331 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.89 -35.22 77.69 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.53 -43.52 89.75 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.42 1.105 . . . . 0.0 112.267 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -72.84 -47.25 47.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.693 -1.254 . . . . 0.0 110.195 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.98 -37.98 55.01 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.037 1.335 . . . . 0.0 113.288 167.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.7 m -60.46 -44.28 96.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 112.501 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 mt -71.24 -38.99 71.93 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.717 -1.239 . . . . 0.0 112.964 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -56.12 -47.66 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 125.371 1.469 . . . . 0.0 112.906 170.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.39 -40.5 94.56 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.54 -29.9 17.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.615 -1.303 . . . . 0.0 113.512 -174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.48 56.57 1.36 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -50.62 -58.46 5.78 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.332 -2.105 . . . . 0.0 114.596 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 -46.42 81.78 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 124.023 1.868 . . . . 0.0 113.92 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.25 -50.1 6.98 Favored Glycine 0 N--CA 1.43 -1.751 0 O-C-N 120.863 -1.148 . . . . 0.0 113.57 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.265 1.6 t80 -75.7 -32.62 60.16 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.084 -1.245 . . . . 0.0 110.746 -173.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CD ' HH12 ' A' ' 82' ' ' ARG . 11.1 mm-40 -52.62 -50.91 62.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.073 2.215 . . . . 0.0 114.096 167.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.48 -70.4 1.02 Allowed Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.369 -1.457 . . . . 0.0 114.727 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -67.68 -21.72 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.068 -2.43 . . . . 0.0 115.389 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -80.44 -21.53 42.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 120.607 1.548 . . . . 0.0 112.578 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.417 HH12 ' CD ' ' A' ' 78' ' ' GLU . 80.2 mmt-85 -62.61 -37.35 85.95 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 115.911 -2.316 . . . . 0.0 113.248 163.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.48 -51.81 13.76 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.226 1.41 . . . . 0.0 107.839 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.65 -41.31 97.33 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.697 -1.877 . . . . 0.0 111.967 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.62 -35.94 75.7 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 119.583 -1.948 . . . . 0.0 114.061 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -72.66 -29.61 63.58 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.196 -1.565 . . . . 0.0 113.824 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 22.1 m-85 -85.67 -7.82 58.58 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.575 1.15 . . . . 0.0 110.132 -175.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.28 5.8 t -147.06 55.53 1.11 Allowed 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.709 1.242 . . . . 0.0 110.605 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -78.83 116.33 19.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 151.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt . . . . . 0 N--CA 1.43 -1.464 0 O-C-N 120.51 -1.368 . . . . 0.0 111.521 -175.22 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.43 -1.45 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.555 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 14.2 mptt -122.86 -140.68 0.32 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.069 -2.567 . . . . 0.0 104.069 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.41 -55.05 6.88 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 118.648 -2.532 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tt -53.82 -40.47 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 126.664 1.986 . . . . 0.0 114.887 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -68.23 -22.03 64.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.856 1.662 . . . . 0.0 115.102 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -87.31 -34.48 18.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.635 1.207 . . . . 0.0 111.764 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.79 -38.85 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 124.371 1.069 . . . . 0.0 108.722 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -51.56 -61.13 2.44 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 130.976 3.711 . . . . 0.0 112.603 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.31 -31.55 63.8 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.56 -26.18 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.232 -1.542 . . . . 0.0 110.681 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.543 HG23 HG21 ' B' ' 80' ' ' VAL . 6.3 mt -60.58 -43.21 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 127.142 2.177 . . . . 0.0 113.564 173.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -76.21 -40.83 51.25 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.087 0.47 . . . . 0.0 112.195 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -50.4 -44.03 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.462 1.505 . . . . 0.0 113.625 161.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -29.91 65.01 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.53 0.681 . . . . 0.0 111.617 -175.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 89.8 p -73.95 -18.28 60.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.266 -2.146 . . . . 0.0 115.597 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 14' ' ' VAL . 4.5 mm -62.4 -48.78 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.574 1.654 . . . . 0.0 110.927 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.403 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 5.2 mp -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.808 -1.182 . . . . 0.0 113.093 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.276 21.9 mt -72.94 -36.67 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 O-C-N 120.879 -1.138 . . . . 0.0 112.261 171.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.51 76.78 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.97 1.708 . . . . 0.0 114.069 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -92.93 1.03 57.51 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.247 -1.533 . . . . 0.0 115.051 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t 71.83 39.39 0.85 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.869 1.318 . . . . 0.0 113.453 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -113.8 38.66 2.89 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.912 2.085 . . . . 0.0 109.476 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -6.33 8.11 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.69 1.596 . . . . 0.0 114.603 169.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.25 -39.51 90.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.349 2.26 . . . . 0.0 112.31 165.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.3 mt -69.4 -34.91 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.871 1.668 . . . . 0.0 110.244 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -72.66 -32.47 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 O-C-N 120.39 -1.443 . . . . 0.0 113.536 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -24.76 67.02 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.765 2.426 . . . . 0.0 117.398 -166.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.9 133.7 50.62 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 111.309 169.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -48.03 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.717 1.607 . . . . 0.0 112.733 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.7 62.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.273 -2.767 . . . . 0.0 117.031 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -82.65 -35.0 27.28 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.19 -1.569 . . . . 0.0 109.618 171.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -66.89 -49.53 65.32 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.102 2.561 . . . . 0.0 111.109 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.77 -44.3 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 129.321 3.048 . . . . 0.0 112.423 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.88 64.02 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.831 -1.793 . . . . 0.0 111.935 176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -77.44 -33.08 54.9 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.773 -1.204 . . . . 0.0 110.764 170.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.22 -47.08 75.83 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.187 -2.196 . . . . 0.0 111.346 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.95 -15.52 59.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.21 -45.46 66.54 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 120.891 1.678 . . . . 0.0 112.005 165.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.4 pt -88.58 -25.0 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.26 50.01 5.63 Favored Glycine 0 N--CA 1.43 -1.711 0 N-CA-C 118.097 1.999 . . . . 0.0 118.097 -173.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -90.33 129.45 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 157.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -119.54 163.72 16.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.714 0.806 . . . . 0.0 110.961 -170.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.555 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.271 20.7 t60 -79.66 -98.53 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 161.294 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -95.92 59.41 2.0 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.013 -2.304 . . . . 0.0 109.62 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.34 6.53 34.29 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 120.551 -1.343 . . . . 0.0 114.112 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -104.56 148.12 26.85 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.831 2.815 . . . . 0.0 105.47 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.1 135.4 53.54 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.171 -0.956 . . . . 0.0 109.383 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.24 120.86 31.75 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.201 -1.562 . . . . 0.0 110.987 -154.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -82.44 162.0 22.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 121.555 -0.716 . . . . 0.0 111.571 -167.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.35 -44.76 90.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.238 -1.538 . . . . 0.0 113.341 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -65.55 -47.74 74.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.9 0.88 . . . . 0.0 112.313 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 4.7 m -71.28 -21.93 62.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.618 1.567 . . . . 0.0 115.129 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.23 -55.98 13.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.251 1.5 . . . . 0.0 112.031 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.8 -30.66 70.96 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.502 1.521 . . . . 0.0 112.807 -175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -66.11 -47.97 72.41 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.082 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.347 31.3 pt -59.01 -48.05 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 120.368 1.44 . . . . 0.0 114.133 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.18 -33.32 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -83.22 -44.87 14.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.38 10.56 8.43 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -166.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.87 149.64 26.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.736 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -89.94 170.93 9.95 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.278 -1.514 . . . . 0.0 108.124 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -57.57 -41.97 82.14 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.533 -1.98 . . . . 0.0 113.641 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.78 -36.82 82.18 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.67 -31.7 68.71 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.655 -1.278 . . . . 0.0 112.615 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -73.62 -54.48 8.05 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.974 1.31 . . . . 0.0 108.937 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.64 -41.59 6.77 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.651 1.581 . . . . 0.0 114.373 168.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -58.61 -43.67 89.7 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.011 0.91 . . . . 0.0 113.225 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.14 -38.71 66.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.08 -1.638 . . . . 0.0 112.576 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -56.64 -47.28 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.058 1.743 . . . . 0.0 113.196 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -65.48 -43.43 90.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 124.928 1.291 . . . . 0.0 114.115 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.78 -36.98 12.01 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.08 58.59 0.61 Allowed 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.574 -1.954 . . . . 0.0 109.517 -172.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -52.68 -66.78 0.33 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.404 1.882 . . . . 0.0 115.313 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -49.77 -61.76 1.94 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.659 1.584 . . . . 0.0 114.864 173.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.23 -57.1 20.04 Favored Glycine 0 N--CA 1.43 -1.729 0 C-N-CA 125.594 1.569 . . . . 0.0 114.974 -170.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' B' ' 80' ' ' VAL . 2.8 t80 -77.15 -29.75 54.7 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 118.455 1.128 . . . . 0.0 111.203 -169.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -53.63 -56.88 13.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.435 1.925 . . . . 0.0 112.846 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.03 -61.0 7.85 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 115.226 0.851 . . . . 0.0 115.226 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.543 HG21 HG23 ' B' ' 12' ' ' ILE . 18.1 m -66.65 -28.18 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 120.221 -1.753 . . . . 0.0 115.046 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -76.34 -14.87 60.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.677 -1.889 . . . . 0.0 112.685 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -64.09 -49.72 71.13 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.287 -2.133 . . . . 0.0 111.252 160.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.41 -61.17 2.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.953 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 69.7 mt -55.57 -34.65 64.97 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.499 1.92 . . . . 0.0 113.81 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.4 -41.8 46.57 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 120.51 1.504 . . . . 0.0 111.779 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 14.3 ptp -71.73 -31.64 66.92 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.897 -1.752 . . . . 0.0 113.122 -172.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.26 -2.34 52.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.141 1.377 . . . . 0.0 111.766 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.354 2.4 t -144.26 42.74 1.41 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.391 1.567 . . . . 0.0 110.692 170.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -92.17 120.13 32.47 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 154.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.413 0 O-C-N 121.674 -0.641 . . . . 0.0 109.82 -164.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.1 m120 . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 121.932 0.872 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -131.99 -142.64 0.22 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 176.311 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -92.66 -46.29 7.66 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.396 -2.065 . . . . 0.0 109.96 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 tt -40.76 -49.44 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 128.762 2.825 . . . . 0.0 116.079 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -54.85 -33.24 61.56 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.733 3.213 . . . . 0.0 113.649 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -95.62 -31.19 13.39 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.721 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 8' ' ' VAL . 6.5 t -57.96 -42.13 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 116.687 -3.758 . . . . 0.0 112.334 169.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.15 8.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 130.451 3.5 . . . . 0.0 113.376 -178.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.93 -23.34 65.96 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.42 -29.27 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 118.539 -2.601 . . . . 0.0 110.84 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -60.95 -44.35 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.051 2.14 . . . . 0.0 112.089 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 p -60.55 -51.2 70.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 123.116 0.566 . . . . 0.0 111.967 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG13 HD11 ' B' ' 17' ' ' ILE . 3.0 t -48.5 -53.08 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 165.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.47 78.21 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.922 1.82 . . . . 0.0 110.082 -172.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.272 60.4 p -71.21 -12.32 61.4 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 117.65 -3.156 . . . . 0.0 116.113 171.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' B' ' 17' ' ' ILE . 25.5 mm -69.07 -43.75 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-O 123.737 1.732 . . . . 0.0 111.205 164.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 3.6 mp -69.96 -28.39 65.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 119.247 -2.158 . . . . 0.0 112.079 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.27 8.7 mt -74.85 -42.53 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.868 -1.145 . . . . 0.0 110.382 171.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -37.43 -55.38 1.06 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.035 2.534 . . . . 0.0 115.507 168.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -83.62 3.8 31.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.537 1.935 . . . . 0.0 114.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 3.3 t 60.09 44.09 13.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.158 1.783 . . . . 0.0 115.352 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -115.24 35.06 4.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.843 2.457 . . . . 0.0 110.631 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -61.26 4.98 0.07 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 129.379 3.072 . . . . 0.0 117.6 176.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -78.78 -33.93 45.97 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 127.613 2.365 . . . . 0.0 111.181 173.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.47 -46.88 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 CA-C-O 122.967 1.365 . . . . 0.0 111.142 171.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.97 -24.6 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 125.518 1.527 . . . . 0.0 110.713 -172.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 33.3 tt0 -59.68 -23.31 63.0 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -108.59 130.97 55.3 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.399 -2.063 . . . . 0.0 110.168 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -47.48 -55.26 9.44 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.394 2.278 . . . . 0.0 113.613 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.71 -53.24 10.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.625 -2.547 . . . . 0.0 117.235 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -38.97 -42.58 0.88 Allowed 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -63.79 -48.41 77.02 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.693 1.997 . . . . 0.0 113.921 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.25 -43.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 128.756 2.822 . . . . 0.0 114.127 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.63 99.36 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.282 -2.136 . . . . 0.0 113.027 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CZ ' HD21 ' A' ' 18' ' ' LEU 0.301 25.7 t80 -59.1 -41.02 87.1 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.215 2.206 . . . . 0.0 112.909 170.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.05 -48.33 73.61 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.292 -1.505 . . . . 0.0 113.717 169.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -66.98 -36.99 83.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.505 -1.372 . . . . 0.0 113.868 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -55.03 -56.4 20.21 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.829 -1.794 . . . . 0.0 115.376 170.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 pt -83.86 -21.98 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.25 48.53 3.27 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 117.407 1.723 . . . . 0.0 117.407 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.21 132.22 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 120.235 2.017 . . . . 0.0 108.705 166.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -127.67 140.41 52.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.757 -1.215 . . . . 0.0 109.7 -171.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.485 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.275 36.7 t60 -74.84 -92.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.152 -1.592 . . . . 0.0 112.426 169.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -92.19 46.26 1.25 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 119.758 -1.839 . . . . 0.0 109.272 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.7 26.11 66.4 Favored Glycine 0 N--CA 1.431 -1.686 0 O-C-N 118.509 -2.619 . . . . 0.0 117.756 -168.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -131.12 166.46 21.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.452 1.501 . . . . 0.0 107.618 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -72.53 157.8 36.92 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.851 -1.781 . . . . 0.0 110.967 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.71 126.65 48.6 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.116 -1.615 . . . . 0.0 109.189 -170.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -93.23 164.88 13.07 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -169.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -72.54 -43.15 63.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 119.91 -1.744 . . . . 0.0 113.011 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -69.13 -44.96 71.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.376 1.07 . . . . 0.0 113.827 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.1 m -68.1 -24.31 65.02 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.68 -45.35 68.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.02 -2.3 . . . . 0.0 109.897 168.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -63.78 -39.73 94.96 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.253 -1.529 . . . . 0.0 113.706 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.267 26.3 pttt -56.96 -41.29 78.05 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.041 -1.662 . . . . 0.0 115.336 169.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.347 44.2 pt -63.08 -42.55 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 O-C-N 119.772 -1.83 . . . . 0.0 114.722 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.06 -44.05 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -75.81 -53.89 7.78 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.432 8.9 pt-20 -85.75 15.52 4.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.366 2.358 . . . . 0.0 117.366 -168.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -48.48 157.94 0.31 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.161 -1.587 . . . . 0.0 114.399 170.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -83.03 171.54 13.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.871 -1.768 . . . . 0.0 109.291 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -63.82 -48.99 74.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.869 -2.395 . . . . 0.0 113.514 166.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.38 -40.06 73.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.834 1.253 . . . . 0.0 113.772 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.8 -44.03 38.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -85.09 -27.16 26.48 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.341 -1.475 . . . . 0.0 108.614 -172.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.29 -34.6 59.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 107.887 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -60.19 -52.52 64.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.601 1.16 . . . . 0.0 113.27 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.71 -42.62 65.01 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 166.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.76 -44.78 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.216 -2.177 . . . . 0.0 112.575 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -57.69 -30.27 65.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -112.17 -20.76 11.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -122.91 55.44 1.19 Allowed 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.947 -2.345 . . . . 0.0 106.95 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -53.14 -68.09 0.2 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 123.101 1.429 . . . . 0.0 114.848 -160.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.06 -40.75 78.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.35 -51.92 34.59 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 125.478 1.514 . . . . 0.0 114.001 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.8 -34.58 62.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.447 1.123 . . . . 0.0 110.13 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.39 -57.38 3.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.152 -2.217 . . . . 0.0 113.671 165.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.18 -63.5 4.5 Favored Glycine 0 N--CA 1.431 -1.681 0 O-C-N 120.013 -1.679 . . . . 0.0 114.212 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.97 -24.48 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.51 -2.17 . . . . 0.0 113.731 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.43 -7.24 59.03 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.891 1.678 . . . . 0.0 112.6 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -66.45 -54.89 19.0 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 117.59 -3.194 . . . . 0.0 111.446 153.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.1 m-85 -49.18 -51.95 29.54 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.102 2.161 . . . . 0.0 113.299 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.67 -29.16 64.29 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.093 -2.254 . . . . 0.0 111.676 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.31 -61.07 2.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.255 1.022 . . . . 0.0 111.094 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.29 11.5 ptp -55.78 -50.1 71.38 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -174.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 8.2 m-85 -54.43 -13.53 0.96 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 170.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 3.5 t -128.94 39.96 3.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.395 -1.44 . . . . 0.0 109.564 168.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -82.2 126.06 31.64 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 149.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt . . . . . 0 N--CA 1.431 -1.406 0 O-C-N 121.431 -0.793 . . . . 0.0 108.919 -175.823 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.493 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.1 OUTLIER -135.55 -157.2 0.78 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 177.251 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -74.45 -29.33 61.43 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.577 -1.952 . . . . 0.0 114.316 -170.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.08 -39.92 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.578 1.951 . . . . 0.0 108.674 -165.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.85 -35.41 57.45 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.351 2.661 . . . . 0.0 112.834 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.411 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -69.87 -55.85 8.64 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.383 1.073 . . . . 0.0 109.53 178.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.62 -40.67 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.144 1.378 . . . . 0.0 112.567 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -50.74 -64.89 0.67 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.852 3.661 . . . . 0.0 114.481 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.298 14.0 pt-20 -63.73 -34.88 78.86 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.38 -26.98 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 119.112 -2.242 . . . . 0.0 113.465 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.37 -57.87 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.341 2.656 . . . . 0.0 112.8 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -59.8 -30.72 69.1 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 128.632 2.773 . . . . 0.0 113.851 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.79 -41.19 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 168.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -36.98 54.78 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 118.506 -2.622 . . . . 0.0 110.612 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.291 86.1 p -61.24 -29.2 69.69 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 169.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 17' ' ' ILE . 24.2 mm -44.93 -56.06 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-N 121.668 2.031 . . . . 0.0 114.222 156.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 23.3 mt -61.88 -41.43 97.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mt -71.73 -22.49 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.044 -2.285 . . . . 0.0 114.361 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.69 76.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.164 -2.21 . . . . 0.0 111.164 169.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -69.68 -30.71 68.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.412 -0.805 . . . . 0.0 113.146 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.308 5.0 t 94.85 44.06 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.389 2.275 . . . . 0.0 111.363 170.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -115.68 58.71 0.73 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.043 2.137 . . . . 0.0 111.067 169.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -64.86 -11.04 33.13 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 177.055 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -39.26 16.07 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.551 2.34 . . . . 0.0 116.783 166.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.12 -34.17 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 O-C-N 119.378 -2.076 . . . . 0.0 111.673 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.6 -35.07 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.087 1.355 . . . . 0.0 110.081 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 79.2 tt0 -54.93 -20.7 9.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.994 2.918 . . . . 0.0 116.657 -177.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -129.91 128.0 41.28 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.259 -2.15 . . . . 0.0 107.662 173.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -50.25 -45.81 54.45 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.226 1.41 . . . . 0.0 113.395 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -54.93 39.1 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -53.67 -32.09 50.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -68.97 -51.43 39.56 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.19 1.396 . . . . 0.0 113.163 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' B' ' 51' ' ' GLN . 52.8 mt -54.89 -38.62 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 129.229 3.012 . . . . 0.0 113.2 172.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.1 -57.59 12.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.455 1.502 . . . . 0.0 110.746 173.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 28.3 t80 -47.55 -42.42 23.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.565 1.546 . . . . 0.0 114.849 166.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -33.47 74.19 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.434 -2.041 . . . . 0.0 114.395 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -76.97 -28.1 55.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.986 -1.696 . . . . 0.0 113.246 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.59 -54.81 12.25 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.182 -1.574 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 16.5 pt -80.07 -18.7 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 111.362 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.79 10.45 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 118.966 2.346 . . . . 0.0 118.966 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.82 107.22 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 CA-C-N 123.167 3.483 . . . . 0.0 108.992 167.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.3 p -109.84 113.61 26.48 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.493 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 21.6 t60 -65.54 -62.79 1.32 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.01 44.06 1.19 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.789 -1.819 . . . . 0.0 110.776 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.62 9.81 82.54 Favored Glycine 0 N--CA 1.431 -1.654 0 N-CA-C 114.854 0.702 . . . . 0.0 114.854 -169.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -117.45 144.06 45.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.424 1.49 . . . . 0.0 108.424 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -77.85 162.41 26.89 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.112 -1.618 . . . . 0.0 112.213 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.6 128.96 38.65 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 114.13 -167.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -92.52 160.59 14.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.088 1.755 . . . . 0.0 108.827 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' B' ' 34' ' ' ILE . 26.3 mt-30 -70.12 -42.88 72.04 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.985 -1.697 . . . . 0.0 114.506 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -66.33 -40.36 89.83 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -73.22 -25.93 60.94 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.64 1.576 . . . . 0.0 111.858 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -71.8 -43.14 66.17 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.171 0.988 . . . . 0.0 109.41 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -68.12 -34.06 75.67 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.181 -1.575 . . . . 0.0 112.248 -176.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.272 28.4 pttt -65.88 -45.33 82.45 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 171.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 7' ' ' THR . 28.7 pt -55.15 -37.22 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 m -83.28 -38.51 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -89.33 -40.98 12.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.3 9.85 27.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 121.198 1.817 . . . . 0.0 112.938 -163.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.91 152.54 7.29 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.14 2.576 . . . . 0.0 112.427 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.7 p -82.01 171.77 14.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -69.3 -41.37 76.88 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.472 -1.392 . . . . 0.0 111.352 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.62 -47.56 40.07 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 127.567 2.347 . . . . 0.0 115.129 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.05 -34.6 70.27 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 123.376 1.56 . . . . 0.0 113.978 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -83.34 -42.13 17.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.163 -1.586 . . . . 0.0 110.196 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -55.0 -39.14 68.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.307 -1.496 . . . . 0.0 113.277 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.6 m -58.71 -40.53 83.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.127 1.442 . . . . 0.0 114.051 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.25 -38.91 65.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.163 -2.211 . . . . 0.0 110.319 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -54.45 -43.68 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.941 -1.724 . . . . 0.0 114.851 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -71.81 -36.55 70.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.64 -1.912 . . . . 0.0 116.145 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -85.6 -35.39 21.03 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.577 -1.327 . . . . 0.0 114.249 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.32 66.26 0.88 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.013 -2.304 . . . . 0.0 110.249 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -53.76 -65.74 0.51 Allowed 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.554 1.168 . . . . 0.0 113.163 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.82 -49.76 75.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.634 1.573 . . . . 0.0 113.561 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.05 23.3 Favored Glycine 0 N--CA 1.43 -1.713 0 O-C-N 120.275 -1.516 . . . . 0.0 115.612 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.287 4.5 t80 -68.92 -40.58 79.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 119.252 1.526 . . . . 0.0 109.17 -173.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -44.56 -56.51 4.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 121.927 2.149 . . . . 0.0 116.03 167.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -70.02 1.13 Allowed Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 115.688 1.035 . . . . 0.0 115.688 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -28.58 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.007 -2.467 . . . . 0.0 114.355 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . 0.252 24.5 t80 -64.77 -41.27 95.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 122.577 2.444 . . . . 0.0 115.192 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -45.16 -51.52 10.37 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 162.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -71.14 -46.9 60.6 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.621 -0.675 . . . . 0.0 110.449 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.72 -47.67 85.24 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.407 1.483 . . . . 0.0 112.119 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.04 -59.39 3.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.188 1.358 . . . . 0.0 114.503 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.376 9.8 ptp -44.37 -35.83 2.56 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 120.231 3.419 . . . . 0.0 120.231 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 18.7 m-85 -85.12 -3.76 58.91 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.768 -1.832 . . . . 0.0 112.75 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.303 0.5 OUTLIER -130.85 44.27 2.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.771 1.748 . . . . 0.0 107.472 171.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.22 111.75 24.06 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 150.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt . . . . . 0 N--CA 1.43 -1.463 0 C-N-CA 123.755 0.822 . . . . 0.0 110.376 172.213 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 N--CA 1.431 -1.42 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -130.15 115.59 17.25 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.358 1.463 . . . . 0.0 108.563 -177.21 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -80.85 -41.34 23.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.895 -1.128 . . . . 0.0 109.283 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -45.34 -47.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.078 2.151 . . . . 0.0 115.566 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -68.13 -10.82 57.03 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.559 1.944 . . . . 0.0 113.707 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -46.65 8.36 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.638 1.575 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 8' ' ' VAL . 3.0 t -59.79 -47.22 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.087 1.755 . . . . 0.0 109.469 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -39.67 -68.22 0.18 Allowed 'General case' 0 N--CA 1.429 -1.511 1 C-N-CA 132.493 4.317 . . . . 0.0 114.529 169.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -67.38 -26.64 66.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.484 -2.01 . . . . 0.0 114.025 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.09 -35.67 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.6 -1.938 . . . . 0.0 111.077 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mt -55.49 -33.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 129.301 3.041 . . . . 0.0 116.318 170.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -81.95 -31.25 31.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.282 -0.887 . . . . 0.0 110.438 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -61.83 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 127.417 2.287 . . . . 0.0 114.009 164.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.0 97.78 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.337 -2.102 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 p -68.29 -13.63 62.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.558 HG21 HG21 ' B' ' 17' ' ' ILE . 50.0 mm -62.48 -53.99 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.67 -1.269 . . . . 0.0 110.898 163.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.14 -33.93 75.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.778 -1.201 . . . . 0.0 112.823 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.0 mt -79.29 -20.91 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.901 -1.124 . . . . 0.0 112.576 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.7 -40.44 96.79 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.486 -1.384 . . . . 0.0 110.999 164.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.07 3.27 52.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.337 1.455 . . . . 0.0 113.477 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 59.46 32.47 21.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.51 2.324 . . . . 0.0 116.408 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -103.64 39.43 1.6 Allowed 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 127.562 2.345 . . . . 0.0 112.083 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.366 0.0 OUTLIER -61.71 -17.47 55.85 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -37.24 -43.23 0.51 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.258 2.223 . . . . 0.0 116.651 165.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.22 -49.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.906 1.682 . . . . 0.0 112.329 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -61.13 -39.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 126.916 2.086 . . . . 0.0 111.879 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 tt0 -63.11 -18.77 63.78 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.485 2.314 . . . . 0.0 116.131 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -114.09 115.12 27.04 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.253 -2.154 . . . . 0.0 110.297 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 88' ' ' THR . 6.7 ttp-105 -33.66 -63.86 0.24 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 129.355 3.062 . . . . 0.0 114.531 172.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.17 -15.0 59.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 118.417 2.747 . . . . 0.0 118.417 -175.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -86.34 -36.53 19.19 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -56.6 -53.67 54.96 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.549 2.34 . . . . 0.0 112.484 170.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 54' ' ' PHE . 40.3 mt -53.44 -42.7 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.284 2.233 . . . . 0.0 115.455 172.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.99 -25.18 65.29 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.73 -1.856 . . . . 0.0 115.204 172.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -73.93 -41.58 61.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 109.877 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.92 -39.36 71.55 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.905 1.682 . . . . 0.0 113.462 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -77.42 -14.19 59.76 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.954 -1.716 . . . . 0.0 115.431 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -78.01 -53.45 7.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 120.079 1.309 . . . . 0.0 112.055 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -6.8 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.062 -1.024 . . . . 0.0 112.705 -173.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.28 49.11 5.67 Favored Glycine 0 N--CA 1.43 -1.708 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.11 109.79 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 119.507 1.653 . . . . 0.0 108.827 172.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.5 p -104.04 132.09 50.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.445 -0.784 . . . . 0.0 110.73 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.276 2.0 t60 -71.56 -95.07 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.695 -1.253 . . . . 0.0 113.635 171.035 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -88.06 47.59 1.52 Allowed 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 119.554 -1.966 . . . . 0.0 111.313 -173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.68 6.42 77.23 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -122.54 152.88 39.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.79 146.01 34.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.376 1.444 . . . . 0.0 110.269 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.12 134.79 34.24 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.093 -1.629 . . . . 0.0 111.803 -151.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.01 157.67 17.14 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.732 -1.23 . . . . 0.0 111.548 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.37 -41.22 94.02 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.444 -1.41 . . . . 0.0 113.986 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -67.98 -53.49 25.7 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.573 1.149 . . . . 0.0 113.08 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.6 m -59.29 -24.92 63.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD2' HD11 ' A' ' 34' ' ' ILE . 52.3 t80 -60.22 -48.95 79.55 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.958 1.837 . . . . 0.0 112.723 168.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -68.06 -30.05 69.16 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.725 -1.234 . . . . 0.0 112.317 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -68.92 -45.22 71.4 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.62 -1.3 . . . . 0.0 113.825 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 24.1 pt -58.76 -48.37 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 119.69 -1.881 . . . . 0.0 113.296 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.81 -31.49 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -88.0 -51.81 5.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 6.5 pt-20 -91.53 11.11 25.18 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 119.523 -1.985 . . . . 0.0 114.741 -164.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.3 mt -37.75 145.62 0.06 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.505 -1.372 . . . . 0.0 114.024 160.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.3 p -75.37 174.23 9.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.758 -1.839 . . . . 0.0 110.796 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -65.01 -40.33 94.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.854 -1.778 . . . . 0.0 110.964 171.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -57.37 -50.29 73.46 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -58.36 -34.7 70.97 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.964 1.705 . . . . 0.0 114.968 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.45 -46.32 49.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.4 -31.26 71.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.257 -2.152 . . . . 0.0 113.074 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.0 m -61.09 -41.23 96.29 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.593 1.557 . . . . 0.0 113.672 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.55 -32.15 62.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.16 -1.588 . . . . 0.0 111.639 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.21 -28.24 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.186 1.795 . . . . 0.0 113.891 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -66.63 -48.8 68.29 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.834 -1.791 . . . . 0.0 114.554 172.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -89.93 -53.52 4.45 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -174.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -86.89 62.1 7.2 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.809 2.844 . . . . 0.0 112.567 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -57.56 -64.84 0.76 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.907 1.283 . . . . 0.0 114.048 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.98 -55.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.048 1.739 . . . . 0.0 112.769 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.74 -57.42 16.27 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -174.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.273 0.5 OUTLIER -78.64 -30.12 46.23 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 119.171 1.486 . . . . 0.0 110.606 -169.272 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.27 -50.04 68.18 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.221 2.282 . . . . 0.0 113.018 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.52 -70.95 0.85 Allowed Glycine 0 N--CA 1.431 -1.689 0 O-C-N 120.107 -1.62 . . . . 0.0 114.267 170.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.18 -19.29 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.252 -2.322 . . . . 0.0 115.241 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -83.04 -15.86 49.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.022 -1.674 . . . . 0.0 112.814 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -70.01 -37.74 75.74 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 123.408 2.822 . . . . 0.0 111.74 163.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.26 -62.24 1.66 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.159 2.184 . . . . 0.0 107.424 -174.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.0 mt -56.36 -28.85 60.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.06 -41.64 70.48 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.102 -1.624 . . . . 0.0 113.613 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -86.05 -23.3 26.81 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.59 -1.319 . . . . 0.0 114.376 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.4 m-30 -78.26 -1.02 30.98 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.762 -1.211 . . . . 0.0 113.795 -171.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 30' ' ' ARG 0.28 0.1 OUTLIER -105.08 85.84 2.34 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.695 1.198 . . . . 0.0 107.955 169.532 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -88.05 122.47 31.68 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 124.986 1.314 . . . . 0.0 109.154 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt . . . . . 0 N--CA 1.43 -1.463 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.483 -167.236 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 106.8 -1.555 . . . . 0.0 106.8 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -108.4 136.17 48.48 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 122.868 1.318 . . . . 0.0 112.834 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.1 -30.65 13.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.898 -1.126 . . . . 0.0 109.703 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 tt -71.05 -41.29 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.52 0 C-N-CA 128.894 2.878 . . . . 0.0 115.95 -163.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.03 -32.14 65.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.839 2.056 . . . . 0.0 113.438 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -59.55 3.5 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 125.641 1.577 . . . . 0.0 108.752 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.0 t -51.21 -35.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 C-N-CA 126.638 1.975 . . . . 0.0 113.485 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -59.13 -62.23 2.04 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 128.852 2.861 . . . . 0.0 112.094 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.98 -39.63 92.83 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 121.032 -1.042 . . . . 0.0 113.73 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -71.31 -23.5 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.344 -1.472 . . . . 0.0 113.003 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.657 HG23 HG21 ' B' ' 80' ' ' VAL . 7.8 mt -60.43 -52.51 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 118.982 -2.324 . . . . 0.0 110.841 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -26.29 66.34 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.459 1.504 . . . . 0.0 114.869 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 17' ' ' ILE . 2.3 t -69.44 -42.61 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.784 -1.197 . . . . 0.0 111.426 167.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.09 73.25 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.816 -2.428 . . . . 0.0 113.332 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -60.68 -26.72 67.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.579 HD11 HG13 ' A' ' 14' ' ' VAL . 1.1 mm -60.71 -46.82 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 125.208 1.403 . . . . 0.0 113.601 166.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 1.5 mm? -55.73 -42.93 76.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.48 -1.387 . . . . 0.0 113.118 172.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.94 -36.43 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 124.642 1.177 . . . . 0.0 112.351 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -51.21 -45.51 61.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.267 -2.146 . . . . 0.0 113.798 166.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -84.78 7.89 19.1 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 52.97 35.82 20.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.419 2.688 . . . . 0.0 114.89 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.34 50.95 0.77 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 126.395 1.878 . . . . 0.0 110.228 173.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -16.51 63.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -70.88 -15.56 62.63 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.203 -1.561 . . . . 0.0 115.102 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.47 -52.78 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.639 -1.913 . . . . 0.0 110.133 166.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -53.99 -39.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.805 2.442 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 5.4 tm-20 -52.28 -18.57 1.61 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 129.985 3.314 . . . . 0.0 117.613 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -117.51 110.06 17.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.877 -1.764 . . . . 0.0 110.166 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -34.15 -62.31 0.33 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 130.357 3.463 . . . . 0.0 113.991 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.11 96.12 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.56 -33.01 74.65 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.499 -2.001 . . . . 0.0 114.074 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.14 -51.13 65.35 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.89 1.676 . . . . 0.0 111.84 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.42 -40.69 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 131.591 3.956 . . . . 0.0 113.511 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -50.6 70.68 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.513 1.149 . . . . 0.0 109.975 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' B' ' 18' ' ' LEU . 8.6 t80 -58.04 -37.19 73.91 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.051 2.14 . . . . 0.0 114.451 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.86 -40.65 80.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.489 -2.007 . . . . 0.0 113.155 173.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -73.68 -18.81 60.97 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.953 -1.092 . . . . 0.0 113.836 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -72.79 -54.87 7.71 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.349 1.06 . . . . 0.0 113.03 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.575 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -88.68 -12.3 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 120.058 -1.651 . . . . 0.0 112.828 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.47 32.11 6.8 Favored Glycine 0 N--CA 1.43 -1.739 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.575 HG23 HD11 ' B' ' 40' ' ' ILE 0.327 26.5 t -71.58 102.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.142 1.449 . . . . 0.0 110.342 167.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -106.71 130.02 54.51 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.458 1.503 . . . . 0.0 109.249 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.45 -89.9 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -79.83 27.45 0.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.293 -2.129 . . . . 0.0 113.601 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.21 -4.62 80.4 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.117 -1.614 . . . . 0.0 113.423 -154.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -101.77 151.28 22.24 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.682 1.193 . . . . 0.0 110.659 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -73.82 143.43 45.94 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.955 0.883 . . . . 0.0 110.677 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.97 126.42 37.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.342 -1.474 . . . . 0.0 113.304 -160.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -94.9 158.29 15.55 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.063 1.745 . . . . 0.0 112.602 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.64 -37.32 70.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.0 -46.09 68.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.522 -1.361 . . . . 0.0 113.256 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -71.14 -17.12 62.57 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.709 -1.245 . . . . 0.0 113.79 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.422 ' HA ' HG12 ' B' ' 57' ' ' ILE . 86.0 t80 -68.28 -47.42 67.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.773 1.749 . . . . 0.0 111.498 168.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -70.89 -23.2 62.24 Favored 'General case' 0 N--CA 1.429 -1.519 0 O-C-N 119.659 -1.901 . . . . 0.0 111.289 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.23 -40.3 59.2 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 118.973 -2.329 . . . . 0.0 116.143 166.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 54' ' ' PHE 0.306 22.5 pt -56.56 -43.75 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.452 -2.03 . . . . 0.0 115.322 175.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.96 -50.12 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -73.35 -55.56 6.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.563 -1.961 . . . . 0.0 116.031 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.13 18.27 2.63 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -165.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.48 150.12 12.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.912 1.685 . . . . 0.0 112.6 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 48.3 p -82.08 170.06 15.95 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.973 -1.704 . . . . 0.0 110.75 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -56.85 -46.44 81.76 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.982 -1.074 . . . . 0.0 112.167 169.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -34.52 78.48 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.02 -39.12 89.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.839 -1.163 . . . . 0.0 112.448 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.93 -46.03 54.82 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.043 -1.661 . . . . 0.0 111.129 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -33.33 65.97 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.406 1.082 . . . . 0.0 113.154 168.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -60.71 -44.92 95.99 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.431 -0.793 . . . . 0.0 112.439 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.04 -41.95 76.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.549 -1.345 . . . . 0.0 111.689 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.52 -44.21 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.539 1.935 . . . . 0.0 114.631 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.41 -33.98 77.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.76 -1.838 . . . . 0.0 115.138 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -92.17 -28.34 17.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.062 -1.649 . . . . 0.0 113.633 -174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.63 79.98 1.94 Allowed 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 125.831 1.652 . . . . 0.0 109.627 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -59.07 -72.29 0.1 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.096 1.358 . . . . 0.0 113.969 -170.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.6 -30.38 56.94 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.349 2.259 . . . . 0.0 110.675 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.51 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -66.9 -62.36 4.56 Favored Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 126.109 1.814 . . . . 0.0 112.279 -172.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.317 0.7 OUTLIER -67.1 -41.4 86.34 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.282 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -36.14 -63.99 0.35 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 117.943 2.571 . . . . 0.0 117.943 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.89 -57.75 7.53 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-O 121.931 0.74 . . . . 0.0 112.93 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.657 HG21 HG23 ' B' ' 12' ' ' ILE . 13.7 m -64.98 -24.95 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.411 -2.817 . . . . 0.0 116.237 -171.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -77.15 -21.73 53.65 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.474 -1.392 . . . . 0.0 112.763 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.07 -41.68 97.08 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.177 -1.577 . . . . 0.0 113.18 163.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.4 -49.1 58.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.866 1.666 . . . . 0.0 108.048 -173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.85 -41.93 92.51 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.58 -1.325 . . . . 0.0 113.19 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.63 -36.71 84.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.935 -1.728 . . . . 0.0 115.4 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.5 ptp -83.21 -18.06 40.62 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.1 -1.625 . . . . 0.0 114.659 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.6 m-85 -89.51 -14.2 35.75 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 122.769 1.271 . . . . 0.0 108.875 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.4 t -126.27 81.3 1.99 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -83.68 121.37 27.18 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.828 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 . . . . . 0 N--CA 1.429 -1.49 0 CA-C-O 123.189 1.471 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.565 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -122.41 152.2 40.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 125.222 1.409 . . . . 0.0 108.961 169.157 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -73.76 -56.48 4.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.7 tt -42.11 -53.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 -161.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -40.96 98.76 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 125.872 1.669 . . . . 0.0 113.814 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.6 m -55.03 -39.7 69.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.989 -2.32 . . . . 0.0 115.9 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.47 -48.85 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 119.751 -1.843 . . . . 0.0 111.474 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -42.38 -58.61 2.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 130.693 3.597 . . . . 0.0 115.248 170.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.53 -33.82 73.35 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.298 25.0 mt -66.34 -33.63 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 119.164 -2.21 . . . . 0.0 112.804 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.99 -43.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.498 -2.626 . . . . 0.0 114.951 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -67.39 -43.13 82.1 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 112.107 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.584 HG13 HD11 ' B' ' 17' ' ' ILE . 3.7 t -53.24 -46.05 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 127.023 2.129 . . . . 0.0 115.581 168.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.09 95.59 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 121.041 -1.037 . . . . 0.0 112.271 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -14.7 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' B' ' 17' ' ' ILE . 11.0 mm -64.21 -52.54 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.974 -1.704 . . . . 0.0 111.465 167.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.44 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 1.8 mp -57.58 -38.9 75.64 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.772 -1.205 . . . . 0.0 111.406 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -72.44 -30.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.998 1.319 . . . . 0.0 111.766 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -60.87 -39.24 88.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.253 1.421 . . . . 0.0 112.458 170.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 3.82 51.1 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.961 2.104 . . . . 0.0 116.137 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 t 59.0 34.02 23.35 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.167 -2.208 . . . . 0.0 116.528 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -101.47 40.76 1.26 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 128.696 2.798 . . . . 0.0 111.572 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.42 0.0 OUTLIER -62.42 -23.3 66.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 176.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -33.87 -54.36 0.47 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 119.373 3.101 . . . . 0.0 119.373 159.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.1 -38.12 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 120.069 -1.644 . . . . 0.0 111.279 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -69.68 -36.58 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.046 1.338 . . . . 0.0 110.919 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 29.4 tt0 -61.71 -3.24 1.02 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.989 2.916 . . . . 0.0 118.003 -169.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -147.5 133.69 19.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.193 -2.192 . . . . 0.0 110.389 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -51.73 15.06 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.1 -14.73 60.6 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 118.78 -2.45 . . . . 0.0 116.68 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -80.01 -41.22 26.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -60.85 -53.03 62.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.452 1.101 . . . . 0.0 113.95 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 51' ' ' GLN . 45.0 mt -51.88 -46.04 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 127.313 2.245 . . . . 0.0 115.29 173.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.14 64.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.468 -2.02 . . . . 0.0 114.268 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 1.8 t80 -72.78 -43.52 62.7 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.257 1.423 . . . . 0.0 109.097 173.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.84 -50.98 67.29 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.137 1.375 . . . . 0.0 113.724 172.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.96 -38.29 90.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.131 -1.605 . . . . 0.0 115.32 173.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -50.24 -58.66 5.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 pt -75.69 -19.55 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.48 46.98 4.46 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.13 127.44 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 119.145 1.473 . . . . 0.0 109.031 166.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.0 p -108.43 153.66 22.98 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 9.2 t60 -78.75 -102.01 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.813 -1.179 . . . . 0.0 113.107 168.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.03 57.98 1.53 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.296 -1.502 . . . . 0.0 108.334 -169.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.21 2.22 39.28 Favored Glycine 0 N--CA 1.429 -1.789 0 N-CA-C 117.349 1.7 . . . . 0.0 117.349 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -124.72 159.07 31.72 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 119.481 1.64 . . . . 0.0 108.139 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -71.07 152.9 43.03 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 123.688 0.795 . . . . 0.0 110.863 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.55 129.59 45.72 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.103 -0.998 . . . . 0.0 109.522 -158.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -100.85 176.31 5.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 125.497 1.519 . . . . 0.0 112.467 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG2' HG21 ' A' ' 34' ' ' ILE . 17.3 mt-30 -79.14 -42.26 26.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.887 -1.758 . . . . 0.0 112.797 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -64.25 -49.97 69.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.905 -1.122 . . . . 0.0 111.813 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 48.3 m -61.84 -23.23 66.13 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.06 -47.96 59.78 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.722 1.249 . . . . 0.0 109.378 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -32.05 73.13 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.57 -1.331 . . . . 0.0 112.174 -174.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 53' ' ' SER 0.262 0.1 OUTLIER -63.39 -40.34 96.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 168.746 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.345 11.8 pt -58.72 -49.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.63 -25.18 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 m -80.39 -61.84 1.86 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 172.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.267 13.3 pt-20 -82.73 10.82 6.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 122.871 2.578 . . . . 0.0 114.96 -156.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.5 mt -44.58 146.05 0.79 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.61 1.964 . . . . 0.0 113.901 170.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 p -82.61 175.22 10.34 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.2 -40.61 71.05 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.789 -1.819 . . . . 0.0 108.764 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.64 -30.01 69.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.05 1.34 . . . . 0.0 114.482 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -70.57 -37.8 74.0 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 122.818 1.294 . . . . 0.0 110.701 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.83 -37.8 23.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.805 -1.809 . . . . 0.0 107.386 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -34.07 76.6 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.051 1.34 . . . . 0.0 109.574 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.52 -37.34 82.62 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 119.222 0.919 . . . . 0.0 112.219 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.13 -25.23 42.96 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.794 -1.191 . . . . 0.0 111.43 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.01 -43.42 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.083 -1.636 . . . . 0.0 111.028 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -65.51 -36.74 84.72 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.601 -1.312 . . . . 0.0 113.567 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -80.26 -30.12 38.42 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.837 -1.164 . . . . 0.0 113.141 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.46 78.85 1.75 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 121.7 2.046 . . . . 0.0 106.079 -165.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -57.19 -69.52 0.16 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.111 -0.993 . . . . 0.0 112.914 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.99 -46.44 84.56 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.946 -1.096 . . . . 0.0 112.891 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.56 -63.56 5.17 Favored Glycine 0 N--CA 1.431 -1.687 0 C-N-CA 125.491 1.52 . . . . 0.0 114.663 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -77.24 -30.11 54.38 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.284 -166.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.16 -52.97 48.58 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 120.568 1.531 . . . . 0.0 114.224 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.95 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 123.374 0.511 . . . . 0.0 113.72 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.96 -24.39 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.721 -2.046 . . . . 0.0 114.74 -169.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -74.19 -28.79 61.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.348 -1.47 . . . . 0.0 114.722 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -58.2 -40.9 82.78 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.652 2.478 . . . . 0.0 116.031 164.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.02 -58.66 4.14 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.46 -38.52 74.6 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.633 -1.292 . . . . 0.0 114.309 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.91 -58.74 4.4 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 119.257 0.935 . . . . 0.0 113.455 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.93 -28.7 70.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.2 m-30 -76.5 -1.23 26.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.245 -1.534 . . . . 0.0 112.307 -172.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.251 0.1 OUTLIER -116.47 106.98 14.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.074 1.349 . . . . 0.0 110.129 171.252 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -98.01 123.99 42.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 166.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.659 -159.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.524 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -111.66 147.63 35.13 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 164.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.0 OUTLIER -82.33 -40.43 21.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.316 -2.115 . . . . 0.0 112.932 -173.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -69.64 -36.57 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 127.714 2.406 . . . . 0.0 111.577 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -40.86 73.35 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.229 -1.35 . . . . 0.0 113.775 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -75.47 -41.5 55.41 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 123.175 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 4' ' ' ASN . 2.3 t -53.51 -41.61 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 120.203 -1.561 . . . . 0.0 114.286 170.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.81 -50.11 74.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.445 2.298 . . . . 0.0 112.746 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -70.32 -36.69 74.43 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -73.3 -25.16 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 118.963 -2.336 . . . . 0.0 114.309 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.2 mt -53.88 -59.84 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.92 -2.363 . . . . 0.0 112.759 168.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -60.75 -38.18 84.31 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.62 HG13 HD11 ' A' ' 17' ' ' ILE . 3.4 t -58.47 -43.59 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 125.996 1.718 . . . . 0.0 113.807 169.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.37 -34.88 65.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.835 -2.416 . . . . 0.0 112.822 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.309 52.2 p -62.17 -24.08 66.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 167.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.697 HG21 HG21 ' A' ' 17' ' ' ILE . 4.2 mm -58.94 -49.61 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.286 1.435 . . . . 0.0 112.874 167.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.79 -41.84 87.62 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -37.34 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.55 -2.594 . . . . 0.0 114.466 169.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -50.23 -41.65 50.4 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.121 -2.237 . . . . 0.0 115.395 168.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -91.83 11.11 25.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.11 -1.619 . . . . 0.0 113.582 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.274 2.3 t 52.64 49.43 20.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 127.058 2.143 . . . . 0.0 115.039 -174.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -125.2 40.58 3.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.544 1.938 . . . . 0.0 108.937 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -15.84 62.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.549 -1.345 . . . . 0.0 113.303 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.15 -36.44 1.18 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 131.587 3.955 . . . . 0.0 116.947 162.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mt -68.01 -39.96 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-O 122.797 1.284 . . . . 0.0 111.432 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.51 -34.63 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.255 1.822 . . . . 0.0 113.495 -165.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 12.3 pt-20 -54.75 -20.26 8.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.554 3.539 . . . . 0.0 120.554 -172.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -117.51 133.46 55.94 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.442 -1.411 . . . . 0.0 107.911 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' HB ' ' B' ' 88' ' ' THR . 38.0 mtm-85 -49.61 -52.42 30.5 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 123.491 1.615 . . . . 0.0 113.396 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.03 90.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -169.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -56.33 -37.73 70.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.78 -51.4 65.0 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.607 1.163 . . . . 0.0 112.932 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.83 -36.1 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 129.085 2.954 . . . . 0.0 111.542 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.29 69.52 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.093 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.68 -41.52 66.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 165.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.04 -32.28 69.6 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.138 -2.226 . . . . 0.0 114.97 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.85 -38.67 61.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.061 -2.274 . . . . 0.0 111.788 171.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -64.21 -42.4 96.62 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.726 2.411 . . . . 0.0 113.779 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 pt -90.71 -23.27 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 111.955 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.58 53.86 4.19 Favored Glycine 0 N--CA 1.43 -1.705 0 CA-C-O 116.834 -2.092 . . . . 0.0 116.829 -173.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.82 125.71 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 1 CA-C-N 124.379 4.09 . . . . 0.0 105.763 164.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -107.14 158.12 17.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.581 -1.324 . . . . 0.0 110.586 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.524 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 5.9 t60 -73.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.469 -1.394 . . . . 0.0 110.984 168.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -94.89 48.68 1.2 Allowed 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.67 -1.894 . . . . 0.0 110.012 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.92 12.53 75.11 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 117.009 1.563 . . . . 0.0 117.009 -167.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -127.35 152.14 47.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.452 -1.616 . . . . 0.0 110.331 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -66.26 144.26 56.71 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 111.614 -168.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 128.98 34.91 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.18 1.467 . . . . 0.0 114.629 -168.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -98.21 158.71 15.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 125.687 1.595 . . . . 0.0 109.491 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -72.59 -36.02 68.05 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.778 -1.201 . . . . 0.0 113.712 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -72.28 -41.35 66.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.278 1.431 . . . . 0.0 113.569 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -78.68 -20.49 50.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.363 -1.461 . . . . 0.0 112.176 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.87 -47.78 81.88 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 124.236 1.969 . . . . 0.0 110.862 164.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.57 -28.41 64.87 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.714 -1.241 . . . . 0.0 112.617 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.31 14.7 ptpt -58.74 -51.72 68.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 159.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.266 14.0 pt -60.42 -42.0 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 119.993 -1.692 . . . . 0.0 114.128 -171.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 -31.45 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -74.38 -55.74 5.65 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.92 0.79 12.32 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -158.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.81 132.55 52.65 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 125.366 1.466 . . . . 0.0 113.679 172.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.5 p -79.87 171.96 14.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.936 -1.103 . . . . 0.0 110.11 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -58.2 -39.41 78.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.849 -1.157 . . . . 0.0 112.636 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.45 -37.84 88.92 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -71.11 -35.19 71.68 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.416 -2.052 . . . . 0.0 112.527 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.69 -41.34 68.77 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.791 -1.818 . . . . 0.0 110.806 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' B' ' 67' ' ' LYS . 3.3 mmmp? -54.68 -34.38 62.21 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 165.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.5 m -63.08 -48.7 77.53 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 121.633 0.73 . . . . 0.0 111.676 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.86 -43.65 92.29 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 119.681 -1.887 . . . . 0.0 114.021 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.19 -33.71 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 126.301 1.84 . . . . 0.0 114.921 172.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.57 -33.75 73.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.269 -1.519 . . . . 0.0 113.718 172.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -100.85 -29.49 12.21 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.62 -1.3 . . . . 0.0 112.608 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.33 80.15 1.92 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.93 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.9 -70.01 0.28 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.973 0.909 . . . . 0.0 112.391 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.71 -55.02 38.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.252 -1.53 . . . . 0.0 112.159 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.57 -67.21 0.74 Allowed Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 121.63 3.412 . . . . 0.0 121.63 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -31.78 44.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.692 -1.476 . . . . 0.0 109.612 -169.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -58.7 -48.26 81.75 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 120.04 1.291 . . . . 0.0 112.093 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -70.85 0.92 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 171.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.266 0.0 OUTLIER -66.99 -19.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 119.101 -2.411 . . . . 0.0 116.961 -172.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.18 -23.49 61.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 120.721 1.6 . . . . 0.0 113.839 170.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -61.4 -50.31 73.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.432 -2.043 . . . . 0.0 112.208 165.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -62.33 -54.64 37.64 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.481 1.512 . . . . 0.0 110.31 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -48.59 -42.49 34.06 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.758 1.623 . . . . 0.0 114.444 173.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.53 -41.99 65.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.959 -1.088 . . . . 0.0 110.505 -172.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -81.27 -18.07 47.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.443 -1.41 . . . . 0.0 113.532 -173.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.438 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 23.1 m-85 -89.96 -6.79 55.3 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 109.553 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' B' ' 30' ' ' ARG 0.299 0.0 OUTLIER -128.69 88.38 2.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.219 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -90.59 131.07 36.52 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 164.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 N--CA 1.429 -1.482 0 O-C-N 121.276 -0.89 . . . . 0.0 110.385 -167.72 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.43 -1.462 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.55 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 1.3 mptt -119.3 -150.08 0.45 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.834 0.854 . . . . 0.0 109.654 -165.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -76.27 -60.93 2.12 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.391 -2.068 . . . . 0.0 110.291 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 tt -37.34 -37.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 C-N-CA 129.978 3.311 . . . . 0.0 118.185 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -67.46 -43.94 79.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 100.0 m -70.46 -43.3 70.13 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.53 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.31 -39.91 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 121.448 1.931 . . . . 0.0 108.267 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.1 ttt180 -64.33 -37.58 88.0 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 120.746 3.609 . . . . 0.0 120.746 171.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.65 -31.94 70.33 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.746 1.612 . . . . 0.0 110.895 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.46 -24.02 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 120.392 -1.442 . . . . 0.0 114.813 171.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 9' ' ' ARG . 13.6 mt -64.49 -42.68 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-N 119.897 1.226 . . . . 0.0 112.535 175.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.8 p -64.29 -52.99 55.84 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.949 -1.094 . . . . 0.0 111.844 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG13 HD11 ' B' ' 17' ' ' ILE . 9.4 t -45.67 -50.37 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.729 2.412 . . . . 0.0 115.641 170.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.65 78.79 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 118.733 -2.479 . . . . 0.0 113.805 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 p -69.69 -18.94 63.59 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.615 HD11 HG13 ' B' ' 14' ' ' VAL . 36.7 mm -61.42 -53.37 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.999 1.319 . . . . 0.0 110.944 168.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.39 -43.71 83.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.074 0.95 . . . . 0.0 111.863 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.6 mt -68.28 -32.16 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 121.359 -0.838 . . . . 0.0 113.142 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.45 78.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.021 -1.674 . . . . 0.0 113.106 169.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.51 7.84 36.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.539 1.536 . . . . 0.0 113.402 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 62.04 28.25 17.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -97.92 44.15 1.05 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 128.196 2.598 . . . . 0.0 112.421 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.345 0.0 OUTLIER -65.7 -18.22 65.17 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -52.73 -30.34 31.98 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 168.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 mt -72.85 -49.15 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 125.316 1.447 . . . . 0.0 110.717 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.22 -43.93 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 125.958 1.703 . . . . 0.0 113.507 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.9 tm-20 -51.11 -17.4 0.64 Allowed 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 129.585 3.154 . . . . 0.0 118.782 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.78 123.11 39.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.215 -2.178 . . . . 0.0 110.307 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -40.4 -46.91 2.48 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 170.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -27.12 22.14 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 118.901 -2.374 . . . . 0.0 111.751 -167.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.71 -35.27 70.16 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.165 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -67.17 -50.42 61.11 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.611 1.164 . . . . 0.0 110.893 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -54.82 -41.48 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.95 2.1 . . . . 0.0 113.542 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.5 84.03 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 113.89 -3.124 . . . . 0.0 115.045 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -54.99 -37.57 66.73 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 128.01 2.524 . . . . 0.0 114.563 166.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.6 mt -54.29 -43.98 71.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.449 -2.657 . . . . 0.0 114.47 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -75.22 -14.79 60.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.39 -50.6 17.91 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.767 1.227 . . . . 0.0 113.673 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -95.44 -12.04 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.264 -1.523 . . . . 0.0 112.76 -170.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.9 30.68 7.38 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 126.787 2.137 . . . . 0.0 115.586 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 HD11 ' A' ' 40' ' ' ILE . 77.0 t -70.82 113.15 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 118.448 1.124 . . . . 0.0 110.078 166.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -108.7 160.76 15.69 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 126.343 1.857 . . . . 0.0 108.3 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.55 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.267 9.3 t60 -83.47 -97.59 0.05 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.341 -1.474 . . . . 0.0 112.468 170.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.14 51.51 2.06 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.705 -1.872 . . . . 0.0 110.508 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.77 3.11 54.07 Favored Glycine 0 N--CA 1.431 -1.687 0 O-C-N 119.822 -1.799 . . . . 0.0 117.53 -172.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -114.62 150.98 34.26 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.825 1.65 . . . . 0.0 109.22 -176.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.43 129.72 41.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.751 1.621 . . . . 0.0 113.08 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.98 126.5 31.12 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.297 1.039 . . . . 0.0 113.048 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.11 161.8 13.37 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.875 1.27 . . . . 0.0 112.839 -167.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.47 -39.96 73.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.997 -1.689 . . . . 0.0 113.157 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -77.18 -36.59 54.92 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 121.203 -0.935 . . . . 0.0 112.707 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -88.08 -13.93 40.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 123.814 0.845 . . . . 0.0 111.602 -174.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.01 -51.55 66.35 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.256 -1.528 . . . . 0.0 107.954 161.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -63.33 -30.53 71.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.126 -1.609 . . . . 0.0 114.381 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.11 -44.25 89.37 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.696 -1.877 . . . . 0.0 113.826 170.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.424 46.3 pt -53.62 -49.96 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 m -83.13 -32.31 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-O 123.903 1.811 . . . . 0.0 114.102 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -88.42 -53.57 4.61 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.336 9.9 pt-20 -88.1 17.65 4.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.028 2.131 . . . . 0.0 113.612 -168.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.16 152.32 4.41 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 169.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -82.98 168.75 16.71 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 112.069 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.37 -39.53 90.98 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.364 -1.46 . . . . 0.0 111.74 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.21 -37.5 87.48 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.93 -36.98 85.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.012 -1.68 . . . . 0.0 112.971 173.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -72.93 -44.86 60.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 125.41 1.484 . . . . 0.0 109.997 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -35.19 71.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.801 0.84 . . . . 0.0 113.196 169.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -63.8 -51.44 64.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.727 -1.233 . . . . 0.0 113.403 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.3 -48.41 79.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.647 -1.283 . . . . 0.0 112.122 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.59 -42.71 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.682 2.393 . . . . 0.0 113.132 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -58.61 -25.09 62.29 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.979 -1.7 . . . . 0.0 114.055 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -111.71 -39.14 4.67 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 122.101 2.228 . . . . 0.0 110.865 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -113.33 56.37 0.69 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.324 1.45 . . . . 0.0 109.978 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -47.39 -58.58 4.0 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.64 -44.07 52.24 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.621 -1.925 . . . . 0.0 111.756 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -70.66 -51.86 18.37 Favored Glycine 0 N--CA 1.43 -1.72 0 C-N-CA 124.313 0.959 . . . . 0.0 111.374 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.389 0.0 OUTLIER -73.33 -46.19 50.89 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 116.52 -1.705 . . . . 0.0 110.007 -175.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -45.51 -48.9 14.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 122.685 2.493 . . . . 0.0 116.741 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.94 2.66 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.515 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.2 m -65.68 -17.96 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 O-C-N 120.162 -1.787 . . . . 0.0 115.521 -171.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.22 -41.03 67.35 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.446 -1.409 . . . . 0.0 114.078 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -51.01 -41.54 59.84 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 165.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.9 -44.91 68.76 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.237 1.415 . . . . 0.0 108.799 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.71 -53.71 54.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.156 -1.59 . . . . 0.0 110.219 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -53.87 -42.99 69.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 ptp -82.69 -26.18 32.3 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.665 -173.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.1 m-30 -83.25 -17.16 43.64 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.733 -1.229 . . . . 0.0 110.756 -175.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.349 5.9 t -128.25 48.09 2.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.559 1.144 . . . . 0.0 111.475 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -86.81 118.94 26.53 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 143.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 N--CA 1.429 -1.482 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 -177.309 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 N--CA 1.43 -1.456 0 CA-C-O 122.364 1.078 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -116.28 -176.55 2.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 166.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -67.59 -50.66 57.25 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.399 -2.063 . . . . 0.0 114.112 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.39 -40.95 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.02 -39.31 66.03 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 127.005 2.122 . . . . 0.0 111.579 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.444 HG21 HD13 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -63.76 -59.31 4.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.629 2.371 . . . . 0.0 111.802 176.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.45 -35.13 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.736 2.415 . . . . 0.0 112.058 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -59.4 -60.35 3.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 130.708 3.603 . . . . 0.0 111.551 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.36 -27.02 64.97 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.477 -1.389 . . . . 0.0 113.732 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.8 -39.03 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 119.825 -1.797 . . . . 0.0 113.011 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.0 mt -53.38 -47.69 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 130.681 3.592 . . . . 0.0 114.342 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -72.23 -41.91 66.32 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.743 -1.223 . . . . 0.0 112.522 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 17' ' ' ILE . 11.1 t -54.59 -42.0 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 O-C-N 119.715 -1.866 . . . . 0.0 113.75 167.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.43 63.25 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.08 -1.637 . . . . 0.0 115.069 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.4 p -82.72 -10.37 58.94 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 118.089 -2.882 . . . . 0.0 112.76 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.763 HD11 HG13 ' A' ' 14' ' ' VAL . 9.9 mm -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 CA-C-N 120.16 1.346 . . . . 0.0 109.384 163.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.26 -33.92 75.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.67 -1.269 . . . . 0.0 114.264 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 29.1 mt -77.69 -25.82 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.109 -1.619 . . . . 0.0 112.066 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -39.54 91.21 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.127 1.771 . . . . 0.0 110.2 170.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.6 8.74 23.84 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.38 -2.075 . . . . 0.0 114.037 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.331 8.1 t 62.47 32.26 16.74 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 175.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -111.99 42.11 1.82 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.284 2.233 . . . . 0.0 111.32 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -60.67 -20.82 61.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 175.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.64 -43.24 0.87 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 155.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.61 -42.24 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.105 -1.622 . . . . 0.0 111.679 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.3 -32.24 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.733 1.613 . . . . 0.0 113.0 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 41.3 tt0 -51.07 -20.49 1.45 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 128.641 2.777 . . . . 0.0 117.926 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -133.56 137.05 45.33 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.922 -2.361 . . . . 0.0 112.543 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -53.8 12.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.19 1.796 . . . . 0.0 113.074 173.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.57 61.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.078 -2.889 . . . . 0.0 116.393 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.62 -43.43 47.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.077 -1.639 . . . . 0.0 110.171 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.08 -61.59 2.06 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.696 1.999 . . . . 0.0 114.67 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 54' ' ' PHE . 50.2 mt -51.04 -39.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.574 3.149 . . . . 0.0 114.609 173.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.11 91.88 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.008 -1.057 . . . . 0.0 112.966 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -33.17 54.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.746 1.618 . . . . 0.0 109.713 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.18 -43.61 78.6 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.958 -1.089 . . . . 0.0 113.094 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -76.39 -17.58 59.29 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.764 -1.835 . . . . 0.0 115.653 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.13 -66.75 0.5 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.467 -1.396 . . . . 0.0 111.544 165.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.279 0.2 OUTLIER -81.36 -7.82 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -170.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 53.38 3.37 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.81 68.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 120.336 2.068 . . . . 0.0 108.515 169.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.27 44.2 p -96.53 149.32 21.89 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.769 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.281 10.3 t60 -87.29 -80.02 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 117.335 -1.746 . . . . 0.0 108.75 -152.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.33 44.49 1.16 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 122.868 1.318 . . . . 0.0 109.539 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.03 1.5 48.83 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-O 116.405 -2.331 . . . . 0.0 116.167 -165.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -126.54 147.33 49.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 121.477 2.638 . . . . 0.0 105.479 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -56.69 135.37 55.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.235 1.017 . . . . 0.0 112.643 -166.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -91.09 131.01 36.93 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -162.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.67 164.38 11.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.642 -1.286 . . . . 0.0 111.506 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.09 -29.96 69.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.257 -2.152 . . . . 0.0 116.292 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -80.67 -19.22 45.69 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 125.901 2.762 . . . . 0.0 114.566 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -88.58 -32.87 17.91 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.898 -1.955 . . . . 0.0 107.759 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' B' ' 34' ' ' ILE . 61.6 t80 -58.19 -51.34 70.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 167.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -69.69 -28.25 65.69 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.695 -1.878 . . . . 0.0 113.204 -172.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -62.01 -45.31 94.15 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 165.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.444 HD13 HG21 ' B' ' 7' ' ' THR 0.284 25.4 pt -60.75 -42.95 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 121.113 1.779 . . . . 0.0 115.588 -177.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.66 -44.7 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.467 1.127 . . . . 0.0 112.412 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -68.85 -60.12 2.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.367 -1.458 . . . . 0.0 113.869 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -83.78 8.79 13.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 115.643 -2.423 . . . . 0.0 115.328 -155.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.3 mt -38.04 141.66 0.2 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 129.461 3.104 . . . . 0.0 114.593 159.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.9 p -83.3 175.84 9.59 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.231 -1.543 . . . . 0.0 110.875 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.89 -41.66 96.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.358 -1.464 . . . . 0.0 111.565 166.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -57.99 -37.44 74.25 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.59 -29.1 66.55 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.263 1.506 . . . . 0.0 113.111 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -85.87 -35.3 20.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.224 1.41 . . . . 0.0 110.914 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -60.74 -41.21 94.94 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.608 -1.308 . . . . 0.0 111.785 167.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 96.5 m -55.35 -44.64 76.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.536 1.134 . . . . 0.0 113.109 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.91 -31.39 56.66 Favored 'General case' 0 N--CA 1.432 -1.369 0 O-C-N 120.72 -1.237 . . . . 0.0 111.806 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.05 -39.71 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.397 -2.065 . . . . 0.0 114.295 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -66.32 -43.82 85.11 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.608 -1.308 . . . . 0.0 113.227 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -87.96 -35.88 17.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.904 -1.123 . . . . 0.0 112.802 -168.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -123.64 60.69 1.08 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.124 1.44 . . . . 0.0 107.311 -163.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -54.77 -71.46 0.08 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.12 -2.238 . . . . 0.0 116.536 -157.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.92 -35.49 74.6 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.249 -1.532 . . . . 0.0 112.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.26 -54.95 17.73 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.783 1.659 . . . . 0.0 113.735 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.431 ' HA ' HG22 ' B' ' 80' ' ' VAL . 13.8 t80 -75.77 -38.45 58.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.962 -1.316 . . . . 0.0 110.23 -174.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -55.5 -46.44 76.94 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.131 -2.231 . . . . 0.0 115.085 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -65.64 3.25 Favored Glycine 0 N--CA 1.429 -1.777 0 O-C-N 120.7 -1.25 . . . . 0.0 114.608 166.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' B' ' 77' ' ' PHE . 15.5 m -66.1 -23.32 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.205 -1.762 . . . . 0.0 115.081 -170.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -81.66 -12.55 58.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.47 -1.394 . . . . 0.0 113.137 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.55 -44.81 81.34 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 118.925 -2.36 . . . . 0.0 110.61 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.06 -53.88 38.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.921 2.488 . . . . 0.0 108.818 -174.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.91 -34.22 74.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.294 1.838 . . . . 0.0 111.49 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -78.15 -35.51 48.79 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 119.394 0.997 . . . . 0.0 110.501 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 13.2 ptp -80.62 -21.77 41.21 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 123.331 1.538 . . . . 0.0 112.768 -172.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.6 m-85 -88.18 6.14 38.04 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.513 -1.367 . . . . 0.0 113.075 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -146.03 52.42 1.15 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.858 -1.152 . . . . 0.0 108.498 168.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -90.64 114.19 26.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.829 -1.795 . . . . 0.0 113.982 162.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 169.013 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 N--CA 1.431 -1.412 0 CA-C-O 123.098 1.427 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.567 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -123.44 -140.16 0.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 166.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -92.44 -46.94 7.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 118.931 -2.356 . . . . 0.0 110.877 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.17 -38.78 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.52 -46.03 63.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 126.36 1.864 . . . . 0.0 113.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.2 m -80.0 -37.3 34.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.909 -1.119 . . . . 0.0 112.238 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.51 -46.62 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-O 117.826 -1.083 . . . . 0.0 111.186 167.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -51.45 -41.41 60.85 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 118.808 2.892 . . . . 0.0 118.808 167.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.91 -35.9 64.69 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 121.622 2.01 . . . . 0.0 115.406 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.13 -33.8 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 171.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.43 -53.48 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 118.05 -2.906 . . . . 0.0 115.12 167.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.406 HG21 HG22 ' B' ' 42' ' ' VAL . 15.0 p -63.42 -49.53 73.37 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.311 -0.868 . . . . 0.0 111.48 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HD11 ' B' ' 17' ' ' ILE . 3.1 t -58.03 -40.55 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.46 1.504 . . . . 0.0 111.574 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.84 69.48 Favored 'General case' 0 N--CA 1.43 -1.435 2 O-C-N 113.478 -5.764 . . . . 0.0 110.055 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.303 94.8 p -67.57 -11.08 57.26 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 175.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.628 HG21 HG21 ' B' ' 17' ' ' ILE . 1.3 mm -70.25 -48.86 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 125.636 1.574 . . . . 0.0 109.292 160.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.85 -35.1 74.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.788 -1.82 . . . . 0.0 109.671 172.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.76 -32.56 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 122.016 2.189 . . . . 0.0 113.891 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -54.75 -43.37 72.66 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.132 1.787 . . . . 0.0 112.785 173.054 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.438 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.365 3.8 t 75.22 49.8 0.08 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 124.362 2.03 . . . . 0.0 112.277 -176.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -111.46 37.6 2.84 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 128.971 2.908 . . . . 0.0 106.236 164.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.21 -8.41 53.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.96 -44.56 1.72 Allowed 'General case' 0 N--CA 1.429 -1.507 1 C-N-CA 133.27 4.628 . . . . 0.0 117.011 156.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -66.66 -51.91 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.613 -1.929 . . . . 0.0 112.247 168.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -51.13 -39.11 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 23.6 tt0 -54.11 -25.21 20.84 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 129.39 3.076 . . . . 0.0 117.301 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -113.2 127.24 56.12 Favored 'General case' 0 N--CA 1.429 -1.523 0 O-C-N 119.456 -2.027 . . . . 0.0 112.76 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -44.14 -51.9 7.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.387 2.275 . . . . 0.0 114.618 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.48 27.19 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.663 -1.273 . . . . 0.0 113.308 -168.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.61 -26.6 64.52 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 120.091 -1.631 . . . . 0.0 110.738 173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.79 -53.15 23.36 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.045 1.748 . . . . 0.0 113.958 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.82 -38.89 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 128.334 2.654 . . . . 0.0 115.978 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.99 95.55 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.885 -1.76 . . . . 0.0 110.89 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.5 -31.2 69.31 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 120.491 -1.381 . . . . 0.0 113.816 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.78 -35.18 75.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 123.272 2.76 . . . . 0.0 114.514 171.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -75.84 -22.78 55.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.906 -1.746 . . . . 0.0 113.104 171.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.83 -50.7 16.22 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -83.95 -30.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.288 -2.133 . . . . 0.0 112.973 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.28 45.18 2.62 Favored Glycine 0 N--CA 1.431 -1.647 0 C-N-CA 125.546 1.545 . . . . 0.0 115.961 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.63 109.69 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.793 1.282 . . . . 0.0 108.741 164.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -100.78 152.72 20.16 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.914 -1.742 . . . . 0.0 107.441 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.567 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 25.6 t60 -82.62 -90.37 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.892 -1.755 . . . . 0.0 109.433 175.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.24 45.58 1.28 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.165 -1.584 . . . . 0.0 111.194 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.97 13.3 82.74 Favored Glycine 0 N--CA 1.43 -1.704 0 C-N-CA 117.378 -2.344 . . . . 0.0 114.823 -175.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -131.0 153.82 48.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 120.678 2.239 . . . . 0.0 111.058 172.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -62.89 148.07 48.36 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 123.853 3.024 . . . . 0.0 115.161 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 125.32 36.71 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.375 -164.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -101.12 172.21 7.15 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.312 -166.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.19 -46.41 50.74 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -61.13 -44.55 97.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.354 1.062 . . . . 0.0 110.952 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -79.61 -20.71 46.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 43.9 t80 -61.76 -54.69 39.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 124.596 1.159 . . . . 0.0 109.956 162.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -62.37 -27.15 68.88 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -173.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.329 14.7 ptpt -66.13 -48.9 69.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.217 -0.927 . . . . 0.0 113.182 171.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.35 25.3 pt -58.55 -47.01 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 54' ' ' PHE . 35.5 m -79.17 -34.99 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m -73.21 -57.81 3.76 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.291 3.0 pt-20 -81.25 9.16 7.41 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 118.544 -2.597 . . . . 0.0 117.326 -166.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -46.58 139.25 5.25 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.949 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.7 p -77.23 164.02 25.99 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.099 -1.626 . . . . 0.0 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -55.54 -38.64 69.55 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.413 -1.429 . . . . 0.0 113.069 174.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.29 -26.56 63.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.43 -37.2 71.48 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.987 -1.696 . . . . 0.0 108.507 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -72.65 -48.23 41.02 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 121.935 0.874 . . . . 0.0 110.485 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -60.71 -24.94 66.05 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -65.93 -45.86 80.32 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.061 -1.649 . . . . 0.0 110.682 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.21 -26.41 65.71 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.327 -1.483 . . . . 0.0 114.312 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.3 mm -71.96 -39.45 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 117.64 -1.624 . . . . 0.0 108.05 171.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.87 -31.59 56.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 114.018 -3.073 . . . . 0.0 119.078 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -75.13 -39.44 60.52 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.489 -2.007 . . . . 0.0 114.216 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -123.88 73.35 1.21 Allowed 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.817 -1.802 . . . . 0.0 110.35 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -55.64 -72.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -64.92 -53.25 49.41 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.174 -1.579 . . . . 0.0 110.968 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.18 -64.89 3.99 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-O 118.107 -1.385 . . . . 0.0 116.556 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -73.68 -16.31 61.21 Favored 'General case' 0 N--CA 1.43 -1.473 1 CA-C-N 124.534 4.167 . . . . 0.0 114.567 -171.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.21 -55.89 28.22 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 116.174 -2.211 . . . . 0.0 112.238 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.38 7.65 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 119.918 -1.739 . . . . 0.0 114.099 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.75 -16.8 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 O-C-N 116.432 -3.981 . . . . 0.0 112.667 -171.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -76.14 -28.34 57.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 121.23 1.832 . . . . 0.0 113.325 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -50.24 -45.92 54.4 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.662 1.574 . . . . 0.0 113.128 166.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.41 -61.31 1.97 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.56 1.944 . . . . 0.0 107.455 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -50.03 -49.08 52.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 124.691 3.405 . . . . 0.0 117.597 173.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.63 -47.77 78.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 120.505 1.502 . . . . 0.0 114.114 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 ptp -74.81 -20.24 59.86 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.486 -1.384 . . . . 0.0 114.658 -176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 28' ' ' GLU . 15.1 m-85 -85.33 -8.9 58.24 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.148 -1.595 . . . . 0.0 109.906 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.0 OUTLIER -123.92 63.53 1.06 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 121.963 2.165 . . . . 0.0 108.167 166.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.53 130.72 44.57 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.153 -1.592 . . . . 0.0 108.262 159.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? . . . . . 0 N--CA 1.431 -1.412 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 172.323 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.442 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 2.1 mppt? -117.0 -156.86 0.64 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 121.134 1.788 . . . . 0.0 108.494 -175.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.51 -26.75 27.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.141 -2.224 . . . . 0.0 113.747 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 tt -56.36 -39.71 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 124.604 1.162 . . . . 0.0 111.796 170.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -58.14 -33.82 69.59 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.837 1.255 . . . . 0.0 113.976 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -46.25 90.7 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 123.243 1.496 . . . . 0.0 113.013 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.484 HG21 HD11 ' B' ' 61' ' ' LEU . 5.0 t -62.58 -42.3 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.304 -1.498 . . . . 0.0 111.588 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -51.04 -53.52 32.87 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.726 3.21 . . . . 0.0 113.793 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.85 -49.88 67.49 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.436 3.017 . . . . 0.0 114.581 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.268 30.5 mt -75.87 -19.54 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 112.046 -2.343 . . . . 0.0 112.343 -169.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.599 HG23 HG21 ' B' ' 80' ' ' VAL . 12.9 mt -63.64 -58.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.155 2.582 . . . . 0.0 111.121 172.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -68.09 -35.67 78.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.4 -41.81 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 CA-C-O 124.801 2.239 . . . . 0.0 116.581 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -65.44 -27.9 68.85 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.189 -2.819 . . . . 0.0 117.21 171.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.295 13.3 p -80.08 -16.33 55.25 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.457 -2.027 . . . . 0.0 108.405 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.726 HD11 HG13 ' A' ' 14' ' ' VAL . 13.1 mm -58.77 -49.73 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 CA-C-O 124.148 1.928 . . . . 0.0 113.333 165.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.81 -29.63 68.84 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 128.216 3.865 . . . . 0.0 118.568 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.284 13.5 mt -68.42 -39.09 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 1 O-C-N 115.898 -4.251 . . . . 0.0 114.118 167.795 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.9 68.3 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.835 -1.791 . . . . 0.0 114.393 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -81.52 -2.22 49.02 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.914 -1.741 . . . . 0.0 115.314 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.0 t 81.0 31.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -122.04 55.34 1.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-O 123.618 1.675 . . . . 0.0 107.569 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.274 0.0 OUTLIER -65.7 -17.57 64.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.805 170.022 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.92 -33.35 36.85 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.75 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 117.122 -3.486 . . . . 0.0 113.678 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.26 -37.74 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.964 1.706 . . . . 0.0 113.388 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 28.3 tt0 -56.94 -14.32 3.45 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.182 3.03 . . . . 0.0 119.182 -174.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.07 154.94 42.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.536 -1.978 . . . . 0.0 109.576 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -65.53 -49.74 67.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.22 36.68 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.869 -1.769 . . . . 0.0 112.539 -158.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.91 -33.8 70.97 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.39 -58.71 7.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.967 2.107 . . . . 0.0 112.71 169.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt -50.99 -43.95 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 130.664 3.585 . . . . 0.0 113.781 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.87 77.72 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.827 -1.171 . . . . 0.0 113.809 171.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.97 -27.88 54.92 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 112.782 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.76 -39.26 73.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.476 -0.765 . . . . 0.0 110.881 166.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -72.22 -30.67 65.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.218 -1.551 . . . . 0.0 112.372 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.4 -63.22 1.19 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 120.253 1.388 . . . . 0.0 112.24 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.43 HD11 HG23 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -82.79 -18.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.602 -169.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.47 50.94 3.43 Favored Glycine 0 N--CA 1.43 -1.747 0 O-C-N 120.949 -1.094 . . . . 0.0 112.633 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.43 HG23 HD11 ' B' ' 40' ' ' ILE . 20.2 t -79.73 84.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-O 124.356 2.027 . . . . 0.0 109.91 160.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -97.99 119.79 37.23 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.064 -1.647 . . . . 0.0 106.949 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.442 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 6.6 t60 -68.12 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.485 -1.384 . . . . 0.0 112.549 -174.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.31 39.85 0.54 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 117.761 -3.087 . . . . 0.0 114.001 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.71 7.64 88.09 Favored Glycine 0 N--CA 1.43 -1.726 0 O-C-N 119.789 -1.819 . . . . 0.0 114.479 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -129.32 144.11 51.11 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.381 -1.658 . . . . 0.0 110.364 -168.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.315 61.8 mttp -60.87 144.92 51.88 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.1 124.68 41.19 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -164.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -94.59 164.26 13.04 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.051 1.341 . . . . 0.0 109.585 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.54 -39.95 77.14 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.32 -1.487 . . . . 0.0 113.289 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.09 -43.33 74.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.669 1.188 . . . . 0.0 112.797 171.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -70.51 -27.72 64.4 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.333 -1.479 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.29 -52.25 62.77 Favored 'General case' 0 N--CA 1.43 -1.472 1 C-N-CA 111.097 -4.241 . . . . 0.0 117.856 168.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . 0.263 33.5 ttt-85 -54.3 -23.34 14.76 Favored 'General case' 0 N--CA 1.43 -1.467 2 C-N-CA 109.871 -4.731 . . . . 0.0 121.889 179.849 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -78.17 -39.58 40.4 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.342 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.42 -35.7 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 121.231 1.832 . . . . 0.0 109.121 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.93 -39.11 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 113.703 -3.199 . . . . 0.0 114.492 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -74.45 -35.63 63.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 113.97 -3.092 . . . . 0.0 113.749 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.7 -5.68 55.67 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -165.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 HG21 ' B' ' 8' ' ' VAL . 28.9 mt -50.79 129.05 22.37 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.103 1.361 . . . . 0.0 112.397 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -74.06 175.04 7.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.161 0.984 . . . . 0.0 110.836 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.2 -40.53 90.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.569 -1.957 . . . . 0.0 109.625 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.43 -42.59 96.4 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 175.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.16 -36.6 82.34 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.944 -1.098 . . . . 0.0 112.344 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.39 -37.97 31.23 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.934 -1.729 . . . . 0.0 110.012 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 120.233 1.379 . . . . 0.0 109.623 170.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.2 m -60.97 -45.48 94.58 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 124.202 1.954 . . . . 0.0 113.113 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.24 -33.91 74.29 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 112.989 -1.914 . . . . 0.0 115.558 169.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.79 -40.61 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-N 121.235 1.834 . . . . 0.0 110.498 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.2 -42.69 95.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.264 -2.148 . . . . 0.0 114.439 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.96 -50.28 8.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.817 0.818 . . . . 0.0 109.205 -177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -107.94 79.71 1.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.954 1.835 . . . . 0.0 110.86 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.69 -64.07 1.08 Allowed 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.307 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -73.78 -45.65 50.31 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.685 -1.259 . . . . 0.0 110.768 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.48 -61.34 6.01 Favored Glycine 0 N--CA 1.429 -1.783 0 C-N-CA 128.408 2.908 . . . . 0.0 109.956 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.22 -39.26 25.66 Favored 'General case' 0 N--CA 1.428 -1.529 1 C-N-CA 110.166 -4.614 . . . . 0.0 117.33 -172.746 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.95 -41.01 77.5 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.441 1.473 . . . . 0.0 114.001 -171.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.26 -60.37 7.23 Favored Glycine 0 N--CA 1.431 -1.636 0 O-C-N 120.124 -1.61 . . . . 0.0 114.277 170.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.599 HG21 HG23 ' B' ' 12' ' ' ILE . 9.4 m -63.38 -26.92 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.233 -1.745 . . . . 0.0 114.029 -172.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -74.73 -24.61 58.76 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.169 2.188 . . . . 0.0 114.083 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -60.33 -46.71 88.93 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 116.09 -2.244 . . . . 0.0 112.157 160.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -66.47 -55.42 15.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.058 0.943 . . . . 0.0 111.691 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -46.31 -52.88 11.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.956 1.702 . . . . 0.0 113.913 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.4 -48.98 77.33 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.501 1.521 . . . . 0.0 113.113 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -72.52 -26.37 61.73 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 17.3 m-85 -82.81 -3.92 57.33 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.717 -1.239 . . . . 0.0 113.539 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -121.59 79.19 1.52 Allowed 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 160.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.01 124.93 51.71 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.644 -2.535 . . . . 0.0 108.257 168.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp . . . . . 0 N--CA 1.43 -1.471 0 O-C-N 120.64 -1.287 . . . . 0.0 112.624 165.532 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 . . . . . 0 N--CA 1.429 -1.502 0 CA-C-O 122.196 0.998 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.56 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 63.8 mmtt -113.75 -149.94 0.46 Allowed 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.872 2.069 . . . . 0.0 105.472 164.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.56 -53.31 7.34 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.967 -2.333 . . . . 0.0 110.805 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 tt -41.32 -49.5 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 129.315 3.046 . . . . 0.0 117.541 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.45 -37.87 8.34 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 128.309 2.644 . . . . 0.0 115.242 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.6 m -89.22 -38.27 14.37 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.446 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.91 -49.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-O 123.055 1.407 . . . . 0.0 110.869 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -46.39 -58.09 4.05 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 128.592 2.757 . . . . 0.0 114.222 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.4 -20.52 60.72 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -76.53 -35.06 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.197 -2.189 . . . . 0.0 110.541 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -57.54 -52.64 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 C-N-CA 126.717 2.007 . . . . 0.0 112.843 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.292 5.9 p -55.04 -50.35 69.3 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.425 -1.422 . . . . 0.0 114.394 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.622 HG13 HD11 ' B' ' 17' ' ' ILE . 2.9 t -45.56 -53.34 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 127.253 2.221 . . . . 0.0 115.914 162.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.63 74.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 111.011 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.27 52.5 p -71.33 -17.44 62.44 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 168.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 17' ' ' ILE . 3.2 mm -65.88 -46.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 119.053 -2.28 . . . . 0.0 110.632 170.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -30.92 71.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.594 -1.316 . . . . 0.0 112.048 176.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.254 91.7 mt -76.47 -28.32 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 120.14 -1.6 . . . . 0.0 112.735 173.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -60.93 -45.75 93.45 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 125.592 1.557 . . . . 0.0 111.105 167.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -90.08 4.76 49.36 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 66.97 51.74 0.94 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 123.164 1.459 . . . . 0.0 114.054 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.5 44.95 2.86 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.005 2.522 . . . . 0.0 112.604 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.458 0.0 OUTLIER -62.39 -24.39 67.35 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 169.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -49.66 -7.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 120.168 3.396 . . . . 0.0 120.168 158.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.72 -44.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 O-C-N 120.373 -1.454 . . . . 0.0 109.957 164.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.92 -31.22 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 125.865 1.666 . . . . 0.0 111.025 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 22.8 pt-20 -64.49 -14.97 59.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -121.95 128.41 51.48 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.516 1.126 . . . . 0.0 111.197 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -59.83 3.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.7 1.6 . . . . 0.0 114.479 172.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.15 40.41 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.57 -1.956 . . . . 0.0 116.14 -170.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -45.98 -40.05 9.84 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.085 1.754 . . . . 0.0 115.154 167.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -68.16 -48.88 64.11 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.64 1.576 . . . . 0.0 113.567 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.47 -40.13 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 128.307 2.643 . . . . 0.0 114.022 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.97 94.4 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.324 -2.11 . . . . 0.0 113.087 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.265 7.8 t80 -58.75 -41.78 87.31 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.76 2.424 . . . . 0.0 111.826 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.91 -51.1 70.45 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.486 -1.383 . . . . 0.0 113.238 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -20.17 59.02 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.91 -1.744 . . . . 0.0 115.475 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.19 -56.77 17.54 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 120.119 -1.613 . . . . 0.0 113.393 163.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.0 pt -87.64 -11.99 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.72 36.07 7.0 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.31 128.14 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 CA-C-N 120.56 2.18 . . . . 0.0 109.46 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -123.76 151.18 43.55 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.769 1.227 . . . . 0.0 110.192 -169.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.304 17.5 t60 -79.68 -88.09 0.07 Allowed 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.7 -1.25 . . . . 0.0 114.251 169.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -99.15 57.22 1.06 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.425 -2.047 . . . . 0.0 108.476 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.75 0.55 41.72 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -110.85 162.82 14.42 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.251 -2.323 . . . . 0.0 108.473 -171.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.92 140.96 55.13 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 108.555 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.81 138.62 31.41 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.903 -1.748 . . . . 0.0 107.909 -158.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.11 166.95 10.14 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -166.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -76.04 -47.92 22.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 121.09 1.768 . . . . 0.0 114.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -65.58 -42.93 91.18 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -85.98 -12.21 51.0 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.916 -1.74 . . . . 0.0 114.978 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -55.49 -54.62 41.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.508 -1.995 . . . . 0.0 112.754 156.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -58.63 -35.51 72.62 Favored 'General case' 0 N--CA 1.429 -1.518 0 O-C-N 120.795 -1.191 . . . . 0.0 113.347 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -61.59 -45.68 93.09 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.326 -1.484 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.325 39.7 pt -59.3 -44.57 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 120.067 -1.646 . . . . 0.0 113.312 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.94 -36.76 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -90.7 -43.35 10.18 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.256 7.0 pt-20 -81.22 9.63 6.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 122.153 2.251 . . . . 0.0 115.355 -167.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.36 151.33 10.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.763 2.025 . . . . 0.0 112.054 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 p -93.36 169.51 10.32 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 109.136 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -55.8 -35.7 66.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 172.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.97 -44.61 60.9 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 175.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -53.85 -35.31 61.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 120.255 1.389 . . . . 0.0 114.169 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -77.06 -55.96 5.0 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.817 1.647 . . . . 0.0 109.798 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.62 -43.83 0.92 Allowed 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 161.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 m -59.57 -40.51 87.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.658 -1.276 . . . . 0.0 113.432 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.5 -32.1 42.38 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.946 -1.721 . . . . 0.0 112.652 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.37 -41.64 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.3 -2.125 . . . . 0.0 113.04 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -62.5 -44.99 95.04 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.138 1.532 . . . . 0.0 115.138 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.35 -24.44 20.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.55 -1.344 . . . . 0.0 112.491 -172.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -129.97 71.32 1.45 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.325 -2.11 . . . . 0.0 107.226 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -61.38 -71.18 0.15 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -167.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.64 -34.29 77.52 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.828 1.251 . . . . 0.0 111.451 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.48 -66.14 2.58 Favored Glycine 0 N--CA 1.429 -1.787 0 C-N-CA 125.805 1.669 . . . . 0.0 112.267 -170.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.276 0.8 OUTLIER -71.44 -41.2 69.78 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 117.01 -1.471 . . . . 0.0 110.584 -173.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -48.1 -51.62 23.82 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 121.766 2.075 . . . . 0.0 116.021 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -64.37 4.02 Favored Glycine 0 N--CA 1.43 -1.757 0 O-C-N 119.976 -1.703 . . . . 0.0 114.425 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -16.98 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.492 -2.181 . . . . 0.0 114.633 -176.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -81.68 -15.1 55.56 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.228 -2.17 . . . . 0.0 112.918 176.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -69.77 -43.71 71.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 115.987 -2.285 . . . . 0.0 111.499 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -64.33 -61.45 2.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.902 2.081 . . . . 0.0 108.136 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.77 -35.24 61.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -64.87 0.76 Allowed 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 120.491 1.496 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 ptp -55.36 -22.67 20.49 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.4 m-30 -81.07 -8.15 59.71 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.721 -1.237 . . . . 0.0 112.355 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 t -133.73 37.06 3.29 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.278 1.513 . . . . 0.0 109.327 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -103.86 129.94 51.38 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.903 1.335 . . . . 0.0 108.193 168.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt . . . . . 0 N--CA 1.43 -1.428 0 CA-C-N 114.66 -1.154 . . . . 0.0 112.551 -176.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 m120 . . . . . 0 N--CA 1.429 -1.494 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.492 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -135.05 -156.59 0.74 Allowed 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -173.189 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -79.38 -40.8 29.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.995 -2.316 . . . . 0.0 112.382 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.3 -43.27 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.071 2.548 . . . . 0.0 114.04 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -50.15 -45.38 53.17 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.004 2.122 . . . . 0.0 114.872 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -78.14 -42.66 31.07 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 123.549 0.739 . . . . 0.0 110.181 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.7 -42.06 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 119.31 -2.119 . . . . 0.0 115.079 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' B' ' 12' ' ' ILE 0.361 15.5 ptt180 -72.54 -39.64 67.36 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.051 1.74 . . . . 0.0 115.523 -176.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.259 9.5 pt-20 -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.723 0.773 . . . . 0.0 111.962 167.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 mt -73.05 -31.53 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 O-C-N 118.543 -2.598 . . . . 0.0 113.38 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.5 mt -50.67 -51.77 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.2 -2.812 . . . . 0.0 113.486 166.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -80.96 -23.77 38.57 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.926 -2.359 . . . . 0.0 110.428 -173.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.479 HG13 HD11 ' A' ' 17' ' ' ILE . 2.2 t -66.26 -37.17 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 126.748 2.019 . . . . 0.0 111.245 170.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -7.84 55.57 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 118.041 -2.912 . . . . 0.0 111.713 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.276 80.5 p -87.27 -25.92 23.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.062 169.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 17' ' ' ILE . 13.3 mm -49.42 -52.53 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 122.545 1.164 . . . . 0.0 112.405 157.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.71 -46.93 88.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.71 -1.244 . . . . 0.0 114.174 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.66 -25.75 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 118.48 -2.638 . . . . 0.0 116.208 169.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -44.08 94.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.018 -2.301 . . . . 0.0 111.381 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.99 -1.5 39.94 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.713 2.005 . . . . 0.0 114.056 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 55.98 46.74 21.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.644 2.378 . . . . 0.0 115.375 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.62 56.83 0.67 Allowed 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.914 1.685 . . . . 0.0 109.744 169.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.342 0.0 OUTLIER -72.38 -11.46 60.7 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -49.87 -35.03 21.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.375 2.27 . . . . 0.0 115.696 166.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -76.74 -39.07 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 O-C-N 120.582 -1.324 . . . . 0.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.2 -43.29 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.68 1.592 . . . . 0.0 111.701 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' B' ' 87' ' ' TYR . 21.5 tt0 -55.19 -24.62 27.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.803 3.241 . . . . 0.0 116.445 175.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.8 113.92 20.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.281 -1.512 . . . . 0.0 111.923 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -42.52 -53.73 4.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 128.921 2.888 . . . . 0.0 113.11 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.22 -16.45 60.47 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -85.12 -23.3 28.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.416 -2.053 . . . . 0.0 109.469 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -74.4 -49.39 22.8 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.989 1.716 . . . . 0.0 110.855 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.94 -41.01 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 130.111 3.364 . . . . 0.0 112.265 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.15 61.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.204 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.21 -33.83 67.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -41.39 91.88 Favored 'General case' 0 CA--C 1.488 -1.411 0 O-C-N 120.059 -1.65 . . . . 0.0 112.246 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.05 -31.28 69.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.874 -1.766 . . . . 0.0 113.603 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.66 -51.09 53.91 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.011 1.324 . . . . 0.0 112.76 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 22.2 pt -78.36 -23.68 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.79 31.39 11.27 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 116.609 -2.217 . . . . 0.0 115.772 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.21 124.87 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.963 3.381 . . . . 0.0 107.409 159.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.1 p -113.43 165.78 12.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.492 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.34 9.5 t60 -79.54 -98.86 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.868 163.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.3 60.56 0.83 Allowed 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.594 -1.941 . . . . 0.0 109.499 -176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.69 -5.99 59.67 Favored Glycine 0 N--CA 1.431 -1.66 0 O-C-N 120.452 -1.405 . . . . 0.0 114.348 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -103.99 144.57 31.37 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.461 1.905 . . . . 0.0 110.323 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.8 132.89 50.74 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 112.367 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 122.832 1.301 . . . . 0.0 111.873 -162.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -97.46 164.98 12.22 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.924 1.29 . . . . 0.0 111.909 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.33 -41.76 98.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.964 -1.71 . . . . 0.0 115.01 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -71.07 -41.77 70.27 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.032 -1.667 . . . . 0.0 113.372 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 41.3 m -77.19 -23.63 51.48 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.851 1.26 . . . . 0.0 113.557 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.25 -49.5 73.88 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.436 1.495 . . . . 0.0 110.715 165.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -66.22 -31.05 71.65 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -173.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -60.84 -53.1 61.51 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.815 -1.178 . . . . 0.0 113.363 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.333 31.3 pt -52.07 -47.38 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.899 -1.126 . . . . 0.0 113.967 -178.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.78 -48.97 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 65.4 m -74.06 -48.29 30.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.081 -1.637 . . . . 0.0 114.288 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.54 6.48 12.36 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -164.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.75 147.12 9.28 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.243 1.417 . . . . 0.0 112.934 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 70.8 p -83.3 171.88 13.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.788 -1.195 . . . . 0.0 110.258 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.61 -44.2 96.56 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.653 -1.279 . . . . 0.0 110.852 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.45 -26.23 65.4 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.64 -37.64 70.84 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.784 -1.822 . . . . 0.0 112.041 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -76.42 -41.95 45.91 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.438 -1.414 . . . . 0.0 110.304 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.26 62.17 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.442 1.497 . . . . 0.0 113.162 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.6 m -58.96 -40.88 86.06 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 121.758 0.789 . . . . 0.0 112.603 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.84 -44.16 67.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.424 -1.423 . . . . 0.0 111.858 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.39 -44.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.18 -1.575 . . . . 0.0 113.917 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.88 -42.95 94.87 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.929 2.091 . . . . 0.0 115.354 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -100.57 -42.4 6.57 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.741 -1.225 . . . . 0.0 113.151 -171.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -103.22 47.11 0.89 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.32 -2.112 . . . . 0.0 108.798 -169.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -44.41 -68.39 0.2 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 127.361 2.265 . . . . 0.0 114.816 -165.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.65 -58.94 6.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.174 2.19 . . . . 0.0 115.454 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.7 -40.97 51.89 Favored Glycine 0 N--CA 1.429 -1.773 0 O-C-N 120.861 -1.15 . . . . 0.0 114.493 -168.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.316 0.3 OUTLIER -73.06 -40.5 65.03 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 117.167 -1.396 . . . . 0.0 110.6 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.56 -54.72 3.81 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 122.748 2.522 . . . . 0.0 115.632 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.99 -64.73 3.82 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.893 -1.129 . . . . 0.0 115.214 171.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -68.61 -22.88 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 118.734 -2.627 . . . . 0.0 114.765 -171.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -75.28 -19.42 59.7 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.296 -2.128 . . . . 0.0 113.27 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -61.23 -44.33 97.44 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.794 -1.816 . . . . 0.0 111.357 162.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.53 -46.59 66.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.77 1.628 . . . . 0.0 109.804 -175.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.75 -25.97 61.38 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.886 -1.759 . . . . 0.0 113.011 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -82.99 -37.66 23.7 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.479 1.036 . . . . 0.0 110.237 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.0 ptp -75.82 -29.48 58.68 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.526 -1.359 . . . . 0.0 113.377 -170.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.457 ' CG ' ' HA ' ' B' ' 28' ' ' GLU . 22.8 m-85 -87.03 -1.63 58.02 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.905 -1.747 . . . . 0.0 111.14 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.287 6.5 t -139.25 54.16 1.72 Allowed 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.718 -1.239 . . . . 0.0 110.557 172.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -80.25 127.29 32.18 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 154.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.43 -1.462 0 O-C-N 120.323 -1.486 . . . . 0.0 107.424 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 . . . . . 0 N--CA 1.43 -1.473 0 CA-C-O 122.221 1.01 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.571 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -110.47 145.57 37.43 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.53 1.932 . . . . 0.0 107.081 171.254 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -91.84 -48.78 6.6 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.881 1.324 . . . . 0.0 110.433 -169.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.65 -45.8 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.353 2.661 . . . . 0.0 115.195 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.42 -46.8 69.92 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 127.877 2.471 . . . . 0.0 112.493 174.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -72.08 -25.62 61.84 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.961 -1.712 . . . . 0.0 113.122 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.53 -32.47 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.269 -2.145 . . . . 0.0 111.725 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -73.01 -47.81 41.79 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.802 2.441 . . . . 0.0 113.167 -172.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.41 -45.72 92.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.082 -1.636 . . . . 0.0 114.298 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' CG1' HG11 ' A' ' 42' ' ' VAL . 20.9 mt -66.94 -27.32 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.709 -1.869 . . . . 0.0 113.813 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.549 HG23 HG21 ' A' ' 80' ' ' VAL . 17.2 mt -56.72 -52.41 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 119.817 -1.802 . . . . 0.0 111.601 167.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -59.69 -43.94 93.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.166 -1.584 . . . . 0.0 114.397 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 17' ' ' ILE . 3.2 t -55.16 -44.35 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.875 2.47 . . . . 0.0 114.089 173.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.26 74.51 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.129 -2.232 . . . . 0.0 112.566 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 p -62.56 -29.88 70.9 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 HG21 ' B' ' 17' ' ' ILE . 43.5 mm -54.53 -52.98 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 125.382 1.473 . . . . 0.0 112.222 168.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.32 -42.87 92.42 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.334 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.39 -33.86 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 O-C-N 120.035 -1.666 . . . . 0.0 114.037 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -53.96 -37.32 63.81 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.767 -1.833 . . . . 0.0 114.016 167.021 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -95.69 9.15 41.33 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.509 1.924 . . . . 0.0 114.052 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 59.62 36.44 22.61 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -108.66 54.05 0.67 Allowed 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.098 -2.251 . . . . 0.0 112.111 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.279 0.0 OUTLIER -71.18 -13.41 61.92 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.139 1.904 . . . . 0.0 116.139 178.369 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -44.44 -42.48 7.05 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.189 2.596 . . . . 0.0 116.598 164.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 mt -72.94 -42.54 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.681 -1.262 . . . . 0.0 110.594 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.26 -44.4 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 126.418 1.887 . . . . 0.0 112.849 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 5.5 pt-20 -58.29 -11.93 3.21 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 120.889 3.663 . . . . 0.0 120.889 -170.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -129.09 120.26 25.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.496 -1.377 . . . . 0.0 110.41 175.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.78 -52.17 14.69 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.886 2.074 . . . . 0.0 114.792 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.39 -46.59 89.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.91 -1.744 . . . . 0.0 114.983 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.97 -32.91 73.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -65.31 -48.85 71.67 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.169 2.187 . . . . 0.0 112.59 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 31' ' ' ALA . 32.3 mt -51.19 -42.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 128.425 2.69 . . . . 0.0 114.319 169.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.06 71.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.916 1.286 . . . . 0.0 109.344 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.04 -40.39 70.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.369 2.268 . . . . 0.0 115.809 168.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.95 -36.65 72.85 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.391 -2.068 . . . . 0.0 113.475 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.49 -1.381 . . . . 0.0 113.856 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.37 -54.56 9.08 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.293 1.037 . . . . 0.0 113.489 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -11.76 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 O-C-N 121.25 -0.906 . . . . 0.0 112.568 -171.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.26 25.28 12.73 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 170.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.3 t -71.55 112.15 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 119.903 1.852 . . . . 0.0 111.455 171.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -102.25 156.54 17.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.824 -1.172 . . . . 0.0 108.295 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.264 23.0 t60 -80.03 -96.07 0.04 OUTLIER 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.57 51.92 1.19 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.39 1.567 . . . . 0.0 110.43 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.18 -6.23 80.25 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 126.594 2.045 . . . . 0.0 114.186 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -114.77 157.28 23.44 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.524 1.53 . . . . 0.0 113.492 -169.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -65.58 135.56 55.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.855 1.262 . . . . 0.0 111.687 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.24 129.76 34.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.406 1.574 . . . . 0.0 113.737 -165.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -96.66 155.3 16.83 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.855 2.062 . . . . 0.0 111.598 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.11 -39.11 86.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.457 -1.402 . . . . 0.0 114.328 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -69.18 -45.86 68.93 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.406 -1.434 . . . . 0.0 113.657 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m -76.38 -18.78 58.69 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.246 1.418 . . . . 0.0 113.386 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.03 -49.11 73.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.464 1.506 . . . . 0.0 111.446 165.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.73 -22.49 60.87 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.925 -1.734 . . . . 0.0 112.137 -170.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -66.47 -52.91 41.13 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 120.346 1.43 . . . . 0.0 114.225 163.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 41.3 pt -50.79 -47.26 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 126.22 1.808 . . . . 0.0 114.106 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.31 -49.21 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.444 -1.41 . . . . 0.0 114.505 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -84.03 -33.37 24.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -85.77 5.42 32.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 121.912 2.142 . . . . 0.0 116.108 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -58.86 148.26 30.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.928 -1.732 . . . . 0.0 113.249 -166.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.9 p -75.3 168.16 20.52 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.664 -1.898 . . . . 0.0 109.378 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.25 -43.75 95.84 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.218 -1.551 . . . . 0.0 111.45 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -61.84 -37.28 83.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.99 -41.8 95.08 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.904 1.282 . . . . 0.0 112.149 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -74.27 -41.09 61.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.493 -2.004 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -61.87 -31.18 71.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.07 1.348 . . . . 0.0 112.232 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.8 m -62.06 -44.53 96.49 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-O 121.97 0.891 . . . . 0.0 112.796 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.39 -45.35 84.37 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 111.357 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.57 -39.34 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 O-C-N 120.439 -1.413 . . . . 0.0 114.363 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -61.07 -37.94 84.44 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.763 -1.836 . . . . 0.0 115.516 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -103.47 -28.07 12.01 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -118.5 49.42 1.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.084 -1.635 . . . . 0.0 109.82 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -39.43 -69.4 0.13 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -174.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.86 -30.81 59.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.621 1.568 . . . . 0.0 112.336 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -68.84 -57.65 7.67 Favored Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 126.294 1.902 . . . . 0.0 111.084 -171.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.356 0.3 OUTLIER -70.52 -48.53 55.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 116.157 -1.878 . . . . 0.0 109.507 -178.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -42.42 -50.93 5.11 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 123.813 3.006 . . . . 0.0 118.002 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.8 -53.59 11.36 Favored Glycine 0 N--CA 1.43 -1.727 0 O-C-N 120.391 -1.443 . . . . 0.0 114.555 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 76' ' ' GLY . 19.5 m -72.7 -19.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 119.16 -2.376 . . . . 0.0 112.497 -172.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -74.74 -26.57 59.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.473 -1.392 . . . . 0.0 112.587 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -64.82 -33.9 77.1 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.812 -1.805 . . . . 0.0 111.522 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.65 -64.23 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.72 -22.2 4.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.1 -48.72 17.0 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.77 -1.206 . . . . 0.0 111.104 174.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.5 ptp -77.77 -18.23 56.67 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.051 -1.655 . . . . 0.0 113.669 -171.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -88.11 -5.53 58.4 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.393 1.477 . . . . 0.0 111.815 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -142.66 84.88 1.87 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 121.067 -1.021 . . . . 0.0 111.077 174.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -121.69 98.07 5.79 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.152 -1.592 . . . . 0.0 107.989 167.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 N--CA 1.43 -1.431 0 O-C-N 120.83 -1.169 . . . . 0.0 108.369 176.312 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 N--CA 1.43 -1.472 0 CA-C-O 121.941 0.876 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.518 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 2.2 mppt? -111.65 151.68 28.54 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.01 -59.5 2.74 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.312 -1.492 . . . . 0.0 109.783 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.431 HG23 ' N ' ' B' ' 6' ' ' ASP . 11.8 tt -46.53 -47.47 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.431 ' N ' HG23 ' B' ' 5' ' ' ILE . 1.6 m-20 -60.49 -42.63 96.73 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 125.589 1.556 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -63.95 -42.16 97.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.44 -1.413 . . . . 0.0 114.218 170.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.12 -44.39 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.114 -2.242 . . . . 0.0 112.152 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -52.78 -55.26 24.18 Favored 'General case' 0 N--CA 1.431 -1.388 0 C-N-CA 130.975 3.71 . . . . 0.0 112.535 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.93 -34.32 77.52 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.593 -1.942 . . . . 0.0 114.817 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -70.29 -38.62 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 119.957 -1.714 . . . . 0.0 111.405 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -51.09 -45.8 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 127.513 2.325 . . . . 0.0 115.066 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -72.66 -38.17 67.72 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 17' ' ' ILE . 41.5 t -55.96 -41.65 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 125.301 1.44 . . . . 0.0 114.659 161.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.92 85.16 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.669 -1.895 . . . . 0.0 112.392 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.6 p -70.56 -13.53 62.14 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.798 -1.814 . . . . 0.0 115.522 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 14' ' ' VAL . 6.4 mm -62.97 -50.39 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.485 -1.384 . . . . 0.0 111.281 163.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mp -64.0 -36.19 83.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.127 -1.608 . . . . 0.0 112.74 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.47 -28.43 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.458 -1.401 . . . . 0.0 112.931 175.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -38.92 90.08 Favored 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 124.925 1.29 . . . . 0.0 112.157 167.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -92.18 8.29 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.209 -1.557 . . . . 0.0 115.112 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t 66.98 34.12 5.38 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.546 1.538 . . . . 0.0 113.803 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -114.12 41.56 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.253 1.821 . . . . 0.0 112.344 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.435 0.0 OUTLIER -59.32 -24.46 63.34 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 170.635 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -35.53 -42.59 0.23 Allowed 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 157.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -74.57 -45.73 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.417 -1.427 . . . . 0.0 111.184 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.1 -33.59 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 127.242 2.217 . . . . 0.0 112.92 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 8.6 pt-20 -70.62 -14.33 62.44 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -119.56 117.83 29.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.344 1.057 . . . . 0.0 109.932 173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -50.62 -43.13 56.78 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.281 1.433 . . . . 0.0 112.316 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.6 63.46 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -79.27 -38.94 34.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.696 -1.877 . . . . 0.0 109.07 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -55.99 -53.52 55.86 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.407 1.483 . . . . 0.0 112.636 171.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -52.58 -44.97 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 127.736 2.414 . . . . 0.0 114.159 173.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.13 -30.33 70.31 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -79.47 -37.44 36.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.964 1.306 . . . . 0.0 108.978 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.49 -50.18 73.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.978 1.311 . . . . 0.0 111.867 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -59.29 -43.52 92.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.96 -60.17 3.18 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.33 1.052 . . . . 0.0 113.029 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.52 45.76 5.42 Favored Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.565 -1.959 . . . . 0.0 116.666 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.33 131.39 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 118.921 1.361 . . . . 0.0 110.001 163.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.5 p -131.32 145.67 51.96 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.796 -1.19 . . . . 0.0 113.29 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.518 ' HE1' ' O ' ' B' ' 3' ' ' LYS 0.304 33.2 t60 -70.47 -84.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.526 -1.984 . . . . 0.0 114.208 167.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -96.21 42.54 1.09 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.284 -1.51 . . . . 0.0 111.057 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 23.76 72.82 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 119.793 -1.817 . . . . 0.0 115.263 -169.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -133.64 167.36 20.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.46 143.04 53.65 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.187 -1.571 . . . . 0.0 112.818 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -97.96 125.34 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.084 0.945 . . . . 0.0 109.565 -168.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -101.66 167.72 9.93 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.192 1.397 . . . . 0.0 113.491 -167.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.93 -48.12 82.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.917 2.087 . . . . 0.0 113.778 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -70.2 -58.43 3.79 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.639 1.576 . . . . 0.0 112.774 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -59.89 -28.25 67.4 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 118.9 -2.375 . . . . 0.0 117.035 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -52.94 -58.29 7.45 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-O 124.268 1.985 . . . . 0.0 113.305 162.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -63.72 -14.73 54.95 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.007 -1.683 . . . . 0.0 114.442 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER -81.93 -50.96 8.57 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 116.635 -2.026 . . . . 0.0 109.031 170.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.288 28.9 pt -53.79 -50.54 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 120.227 -1.546 . . . . 0.0 114.633 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.24 -34.19 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -77.09 -50.73 12.39 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.27 6.2 pt-20 -87.12 10.67 15.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -161.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.33 142.82 7.03 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.3 -1.5 . . . . 0.0 113.393 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -84.65 175.36 9.27 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -175.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.6 -44.46 93.95 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.616 -1.303 . . . . 0.0 110.201 172.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.19 -46.72 79.29 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -61.97 -30.55 71.0 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.06 -37.1 34.61 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.573 -1.329 . . . . 0.0 109.021 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -64.39 -39.27 93.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.126 -1.608 . . . . 0.0 111.005 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -53.2 -47.72 68.68 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.295 1.438 . . . . 0.0 113.139 171.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.06 -35.98 72.12 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.335 -2.103 . . . . 0.0 113.037 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -41.81 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.882 -1.761 . . . . 0.0 114.12 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.68 -38.33 76.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.87 -20.9 20.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -138.51 64.63 1.49 Allowed 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.523 -1.986 . . . . 0.0 107.148 -168.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.29 -65.81 0.59 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.558 -1.964 . . . . 0.0 114.663 -161.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -56.14 -57.08 13.72 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 126.05 1.74 . . . . 0.0 114.414 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.91 -56.73 22.46 Favored Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 125.849 1.69 . . . . 0.0 114.091 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.3 8.2 t80 -76.94 -27.07 54.7 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 118.175 0.988 . . . . 0.0 111.761 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -52.71 -60.22 3.52 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 122.598 2.454 . . . . 0.0 114.245 169.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -59.76 9.0 Favored Glycine 0 N--CA 1.431 -1.688 0 O-C-N 121.213 -0.929 . . . . 0.0 114.537 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.7 m -68.25 -21.41 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.357 -2.26 . . . . 0.0 114.901 -173.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.51 -14.13 57.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.402 -2.061 . . . . 0.0 113.444 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -68.15 -37.47 81.08 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.591 -2.568 . . . . 0.0 111.912 161.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.08 -64.4 0.88 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.128 2.171 . . . . 0.0 108.337 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 83.3 mt -49.61 -47.28 49.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.955 -1.716 . . . . 0.0 112.708 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.04 -37.97 84.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.291 17.3 ptp -74.96 -29.74 61.01 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 124.149 1.928 . . . . 0.0 111.062 -172.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.7 m-85 -83.36 -0.15 48.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.715 -1.241 . . . . 0.0 112.93 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.397 4.8 t -151.23 51.7 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.573 1.178 . . . . 0.0 110.981 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.13 101.9 9.06 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 121.083 -1.01 . . . . 0.0 110.524 150.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.43 -1.427 0 C-N-CA 123.868 0.867 . . . . 0.0 109.116 173.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.9 m120 . . . . . 0 N--CA 1.431 -1.425 0 CA-C-O 121.871 0.843 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -111.15 -132.04 0.32 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.514 -1.366 . . . . 0.0 111.279 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.504 HD22 ' HA ' ' A' ' 57' ' ' ILE . 2.9 m120 -64.42 -46.62 82.44 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.13 2.972 . . . . 0.0 113.14 170.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.34 -45.39 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 130.588 3.555 . . . . 0.0 115.606 -170.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -64.92 -35.7 81.99 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -66.99 -39.6 87.2 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.565 1.146 . . . . 0.0 110.197 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.99 -46.09 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.497 -1.377 . . . . 0.0 112.775 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -49.96 -47.04 52.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.94 2.096 . . . . 0.0 114.784 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.05 -37.51 87.82 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 123.503 1.621 . . . . 0.0 113.751 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.37 -21.83 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 118.963 -2.335 . . . . 0.0 112.499 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.67 -46.91 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 C-N-CA 128.178 2.591 . . . . 0.0 112.11 168.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.469 HG21 HG22 ' B' ' 42' ' ' VAL . 17.1 p -66.62 -55.17 16.53 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.608 -1.308 . . . . 0.0 111.128 -178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 HD11 ' B' ' 17' ' ' ILE . 54.4 t -42.2 -48.08 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 165.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.56 56.95 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 116.623 -3.798 . . . . 0.0 111.42 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -82.04 -11.23 58.92 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.038 -1.664 . . . . 0.0 112.302 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.575 HG21 HG21 ' B' ' 17' ' ' ILE . 4.9 mm -68.24 -49.35 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 123.805 1.764 . . . . 0.0 107.868 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 5.8 mt -57.76 -42.3 83.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.541 -1.663 . . . . 0.0 112.534 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mt -71.66 -26.37 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.077 -2.264 . . . . 0.0 112.552 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -41.49 86.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.888 1.222 . . . . 0.0 110.616 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.41 -10.44 43.86 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t 70.9 46.39 0.49 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 126.584 1.953 . . . . 0.0 111.074 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -108.49 51.16 0.75 Allowed 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.107 2.163 . . . . 0.0 106.753 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -73.98 -16.45 61.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.085 -1.635 . . . . 0.0 114.818 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -35.83 -49.64 0.62 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 129.289 3.036 . . . . 0.0 117.937 160.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.95 -45.19 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 124.183 0.993 . . . . 0.0 109.87 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.22 -39.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.716 1.606 . . . . 0.0 113.296 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 87' ' ' TYR . 34.0 tt0 -63.6 -17.75 63.19 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.8 3.24 . . . . 0.0 118.247 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -126.23 127.73 46.1 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.544 -1.972 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -46.52 -60.9 2.07 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.633 2.373 . . . . 0.0 114.942 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.3 -25.08 59.36 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.678 -1.264 . . . . 0.0 112.68 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.5 -26.85 55.71 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.981 -1.074 . . . . 0.0 110.291 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.25 -50.15 23.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.148 1.779 . . . . 0.0 112.316 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -55.9 -35.91 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.273 1.829 . . . . 0.0 114.976 172.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.21 90.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.806 1.289 . . . . 0.0 111.996 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.4 t80 -61.53 -32.73 72.79 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 127.136 2.174 . . . . 0.0 113.041 171.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.3 -34.95 75.48 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 119.792 -1.817 . . . . 0.0 112.332 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -73.73 -22.7 59.81 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.175 -1.578 . . . . 0.0 111.73 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -74.55 -63.69 1.19 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.393 1.877 . . . . 0.0 114.816 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -18.03 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.486 -1.384 . . . . 0.0 109.942 -175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.97 26.41 11.53 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 157.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG22 HG21 ' B' ' 13' ' ' THR . 21.5 t -71.68 120.93 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-O 122.254 1.026 . . . . 0.0 109.461 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.8 p -108.0 155.16 20.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.921 1.288 . . . . 0.0 110.213 -168.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' ' HG3' ' A' ' 45' ' ' GLU 0.269 21.6 t60 -84.43 -89.82 0.1 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.06 -1.025 . . . . 0.0 111.774 165.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 40.9 mt-10 -91.66 42.31 1.1 Allowed 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 118.973 -2.329 . . . . 0.0 111.354 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.4 -3.55 86.08 Favored Glycine 0 N--CA 1.43 -1.755 0 O-C-N 120.585 -1.322 . . . . 0.0 112.55 -174.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -117.93 163.64 16.25 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.41 146.19 52.24 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.6 1.19 . . . . 0.0 112.785 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 128.64 34.66 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 123.254 1.502 . . . . 0.0 113.044 -171.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -91.89 155.62 18.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.631 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.69 -33.09 70.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -76.48 -46.79 25.3 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 117.337 -3.352 . . . . 0.0 108.936 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -68.7 -19.28 64.37 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.647 2.476 . . . . 0.0 116.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -68.9 -44.45 73.14 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.994 1.378 . . . . 0.0 112.105 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -66.03 -24.25 66.71 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.519 -1.363 . . . . 0.0 111.536 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.315 28.0 pttt -71.54 -44.8 63.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 169.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' HA ' HD22 ' A' ' 4' ' ' ASN 0.368 9.6 pt -58.18 -45.49 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 178.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 HG21 ' A' ' 88' ' ' THR . 27.9 m -79.85 -38.46 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -92.31 -40.68 10.8 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.1 2.01 14.08 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.889 2.132 . . . . 0.0 115.919 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.32 137.59 6.22 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.107 2.163 . . . . 0.0 115.619 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.1 p -76.99 171.63 14.49 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 122.257 1.027 . . . . 0.0 111.541 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -74.87 -27.95 60.46 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.059 -1.651 . . . . 0.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.14 -41.27 81.9 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.846 167.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.12 -30.13 68.33 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 123.582 2.901 . . . . 0.0 113.318 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.35 -48.51 67.28 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.746 -1.221 . . . . 0.0 110.73 168.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.16 -27.52 65.74 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 120.986 1.721 . . . . 0.0 111.092 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -72.37 -41.93 65.81 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.281 -1.512 . . . . 0.0 112.669 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.03 -32.67 70.93 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 121.609 2.004 . . . . 0.0 111.109 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.29 -44.56 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 125.836 1.654 . . . . 0.0 113.016 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.25 -48.72 78.13 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.139 -1.6 . . . . 0.0 115.091 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -73.59 -35.41 65.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -174.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.01 77.28 1.75 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.776 -1.828 . . . . 0.0 114.309 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -53.83 -70.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -71.29 -41.9 69.38 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.918 -1.114 . . . . 0.0 112.922 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.51 -62.08 6.67 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 117.727 1.851 . . . . 0.0 117.727 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.22 -27.86 62.8 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.333 2.566 . . . . 0.0 110.791 -172.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.07 -58.51 7.04 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.156 -2.215 . . . . 0.0 114.085 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.08 -66.82 2.31 Favored Glycine 0 N--CA 1.431 -1.695 0 N-CA-C 115.196 0.838 . . . . 0.0 115.196 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 0.0 OUTLIER -64.96 -28.15 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 O-C-N 118.689 -2.654 . . . . 0.0 116.9 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.65 -15.86 60.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.374 2.352 . . . . 0.0 112.973 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -67.88 -43.14 80.07 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 118.478 -2.639 . . . . 0.0 113.956 167.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.17 -58.85 6.62 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 109.684 -3.417 . . . . 0.0 112.134 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.67 -43.63 80.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.083 -2.26 . . . . 0.0 115.192 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.62 -43.81 88.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 113.025 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.2 ptp -79.87 -30.39 40.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.062 1.301 . . . . 0.0 114.133 -169.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 28' ' ' GLU . 21.8 m-85 -75.74 5.72 5.86 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 58' ' ' VAL 0.35 0.2 OUTLIER -134.03 59.04 1.75 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.097 -1.627 . . . . 0.0 108.12 171.661 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.97 125.55 51.65 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -174.164 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 m120 . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.598 ' HG3' HG22 ' B' ' 5' ' ' ILE . 3.4 ptmm? -128.45 -162.61 1.2 Allowed 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.12 1.768 . . . . 0.0 111.266 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.73 -47.61 82.81 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.867 -1.771 . . . . 0.0 111.072 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.598 HG22 ' HG3' ' B' ' 3' ' ' LYS . 9.1 tt -56.51 -37.18 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -59.49 -47.64 84.72 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.444 1.897 . . . . 0.0 112.428 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -67.27 -42.16 84.31 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.521 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.75 -50.17 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 C-N-CA 124.515 1.126 . . . . 0.0 113.056 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.25 8.0 ttt180 -53.4 -43.33 67.81 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.881 2.472 . . . . 0.0 116.724 174.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.49 -43.09 95.23 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 119.945 -1.722 . . . . 0.0 112.959 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 mt -70.72 -30.25 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.581 -1.324 . . . . 0.0 112.306 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mt -57.96 -52.92 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 126.696 1.998 . . . . 0.0 112.251 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . 0.488 HG21 HG22 ' A' ' 42' ' ' VAL . 13.6 p -69.61 -41.0 76.28 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.05 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.412 HG13 HD11 ' A' ' 17' ' ' ILE 0.258 3.6 t -49.78 -41.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.504 1.921 . . . . 0.0 115.287 167.763 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -23.11 33.85 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.297 -2.127 . . . . 0.0 111.444 -172.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.7 p -72.24 -23.11 61.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.808 1.243 . . . . 0.0 114.025 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.59 HD11 HG13 ' A' ' 14' ' ' VAL . 3.0 mm -59.52 -47.63 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 124.733 1.213 . . . . 0.0 109.857 166.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.42 -32.66 73.55 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . 0.279 27.0 mt -70.01 -35.65 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 120.644 -1.285 . . . . 0.0 113.769 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -42.63 77.09 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.866 -1.771 . . . . 0.0 114.945 168.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -88.26 7.75 30.63 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t 64.69 42.48 4.68 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.557 -1.339 . . . . 0.0 114.089 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -126.5 45.05 2.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.398 1.571 . . . . 0.0 110.317 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.385 0.0 OUTLIER -65.36 -17.5 64.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.041 175.256 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.83 -15.65 43.65 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.69 -58.48 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.527 1.131 . . . . 0.0 108.824 164.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -55.15 -38.44 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 128.057 2.543 . . . . 0.0 113.604 -173.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.74 -11.91 14.34 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.646 3.179 . . . . 0.0 117.226 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -127.49 117.21 21.66 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.229 -1.545 . . . . 0.0 110.787 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -39.66 -49.21 2.22 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.082 2.553 . . . . 0.0 114.751 171.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.18 -32.8 24.39 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.968 -1.708 . . . . 0.0 111.745 -166.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -74.18 -29.13 61.62 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.716 0.77 . . . . 0.0 112.124 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -60.83 -54.05 49.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.473 1.509 . . . . 0.0 112.94 170.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' B' ' 54' ' ' PHE . 47.7 mt -51.15 -39.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.724 2.81 . . . . 0.0 114.749 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.58 94.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.748 -1.845 . . . . 0.0 112.217 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.257 8.4 t80 -66.67 -34.41 77.8 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.914 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.24 -34.87 75.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.543 -1.973 . . . . 0.0 112.734 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.21 -40.72 74.39 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.358 -1.464 . . . . 0.0 109.72 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.42 -52.58 37.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.848 2.059 . . . . 0.0 114.912 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.443 HD11 HG23 ' B' ' 42' ' ' VAL 0.253 0.1 OUTLIER -86.3 -24.4 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.406 -1.434 . . . . 0.0 112.641 179.445 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 51.04 2.72 Favored Glycine 0 N--CA 1.431 -1.694 0 O-C-N 121.346 -0.846 . . . . 0.0 113.755 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 13' ' ' THR . 21.1 t -85.98 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 162.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.4 p -123.27 148.21 46.15 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.156 -1.383 . . . . 0.0 110.168 -169.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -75.08 -104.35 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.187 -0.946 . . . . 0.0 111.188 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.72 45.43 0.59 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.067 -2.27 . . . . 0.0 112.366 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.53 8.43 87.75 Favored Glycine 0 N--CA 1.43 -1.734 0 O-C-N 119.974 -1.704 . . . . 0.0 113.751 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -105.71 167.81 9.52 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.797 1.239 . . . . 0.0 113.038 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -76.93 120.91 22.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.778 -1.827 . . . . 0.0 110.373 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 121.94 21.97 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -173.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.29 165.51 12.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.794 -1.191 . . . . 0.0 110.313 -172.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.52 -40.95 73.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.209 -1.557 . . . . 0.0 114.013 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -64.82 -48.67 73.53 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.245 -0.909 . . . . 0.0 110.517 172.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 m -74.72 -22.09 59.02 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' B' ' 34' ' ' ILE . 62.0 t80 -58.85 -49.1 78.99 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.759 -2.463 . . . . 0.0 114.553 162.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -64.96 -31.95 73.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.216 -1.553 . . . . 0.0 113.114 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.363 32.4 pttt -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 168.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.281 18.3 pt -59.25 -50.74 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 O-C-N 119.983 -1.698 . . . . 0.0 113.614 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.63 -41.01 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -173.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -68.0 -58.44 4.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.302 7.5 pt-20 -79.54 11.84 2.85 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -162.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.89 135.65 41.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.845 -1.784 . . . . 0.0 111.916 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -76.13 173.89 10.75 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.476 -1.39 . . . . 0.0 111.063 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.932 -1.73 . . . . 0.0 110.929 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -84.21 -27.09 28.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.46 -33.78 54.58 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.204 -1.56 . . . . 0.0 112.705 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -67.94 -54.1 21.26 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.368 1.467 . . . . 0.0 109.933 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.81 -42.44 0.59 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.793 2.037 . . . . 0.0 114.88 163.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 45.3 m -69.82 -37.07 76.09 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 123.544 1.64 . . . . 0.0 113.012 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.38 -34.1 74.03 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.901 -1.124 . . . . 0.0 113.923 172.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.96 -43.17 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.866 -1.146 . . . . 0.0 111.91 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -55.81 -58.52 7.52 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.159 1.384 . . . . 0.0 113.123 172.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -16.59 34.65 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.82 52.64 1.98 Allowed 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 118.811 -2.43 . . . . 0.0 114.079 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -39.77 -69.23 0.13 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.078 3.362 . . . . 0.0 120.078 -176.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -56.2 -51.98 66.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.663 1.585 . . . . 0.0 113.027 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.47 -53.23 10.44 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.262 1.41 . . . . 0.0 111.644 -169.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.258 1.0 OUTLIER -74.59 -38.4 62.64 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 115.801 -2.047 . . . . 0.0 109.166 -171.038 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -57.45 -46.69 83.32 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 124.523 3.329 . . . . 0.0 114.907 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -58.36 11.89 Favored Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 121.685 2.039 . . . . 0.0 115.071 172.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.74 -23.58 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.987 -1.89 . . . . 0.0 114.095 -173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -76.98 -20.56 55.94 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.541 -1.974 . . . . 0.0 113.84 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -57.83 -50.92 71.66 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 122.595 2.452 . . . . 0.0 112.437 154.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.32 -61.91 1.94 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.4 ' O ' HG22 ' B' ' 88' ' ' THR . 94.0 mt -43.03 -54.82 4.1 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 170.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.82 -49.6 72.82 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 11.7 ptp -65.39 -33.81 76.84 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.95 0.06 33.02 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.4 HG22 ' O ' ' B' ' 84' ' ' LEU . 1.7 t -131.99 46.88 2.59 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 122.589 1.185 . . . . 0.0 110.179 173.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -87.62 130.07 34.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.995 -1.691 . . . . 0.0 108.324 167.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt . . . . . 0 N--CA 1.43 -1.437 0 O-C-N 120.327 -1.483 . . . . 0.0 107.572 177.023 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -119.25 142.06 48.39 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 122.323 2.329 . . . . 0.0 108.561 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -83.02 -39.4 21.32 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.56 -1.337 . . . . 0.0 114.272 -164.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -52.16 -51.23 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.687 2.395 . . . . 0.0 115.968 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -65.97 -31.16 71.91 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 m -66.1 -36.55 83.47 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.869 -1.144 . . . . 0.0 111.443 172.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.5 -38.29 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 121.032 -1.042 . . . . 0.0 109.41 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -68.5 -49.81 56.85 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.349 2.26 . . . . 0.0 111.419 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.61 -51.48 55.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.709 -2.041 . . . . 0.0 113.304 171.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -74.55 -26.59 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.028 -1.67 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.41 -52.22 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 118.651 -2.53 . . . . 0.0 114.391 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.252 16.0 p -55.71 -47.25 77.17 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 175.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 17' ' ' ILE . 2.6 t -56.34 -43.46 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 126.196 1.798 . . . . 0.0 115.152 170.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.79 -38.38 64.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 118.391 -2.693 . . . . 0.0 112.751 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.5 p -63.46 -24.48 67.85 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 171.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' B' ' 17' ' ' ILE . 2.0 mm -54.22 -50.69 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.379 0 CA-C-O 124.05 1.881 . . . . 0.0 113.505 164.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.43 -44.34 95.87 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 113.185 -1.825 . . . . 0.0 109.618 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.69 -38.1 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 118.219 -2.8 . . . . 0.0 113.299 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -36.98 5.76 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.342 2.792 . . . . 0.0 116.784 167.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -94.18 4.95 53.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.652 2.381 . . . . 0.0 115.978 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t 57.42 41.31 26.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.049 2.139 . . . . 0.0 114.904 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -104.82 51.67 0.76 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.412 1.885 . . . . 0.0 112.304 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -15.98 55.3 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.042 -1.661 . . . . 0.0 111.42 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.42 -20.08 6.82 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 158.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -83.55 -46.0 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.961 2.164 . . . . 0.0 106.493 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.97 -34.34 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 126.03 1.732 . . . . 0.0 111.968 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.6 pt-20 -58.95 -23.8 61.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.66 119.22 37.34 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.296 1.038 . . . . 0.0 112.658 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -44.83 -57.33 3.81 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 128.464 2.706 . . . . 0.0 114.713 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.61 67.24 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.824 -1.173 . . . . 0.0 114.112 -172.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -58.96 -32.94 70.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.86 -50.09 58.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.815 1.246 . . . . 0.0 113.35 170.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.51 -35.79 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 127.118 2.167 . . . . 0.0 114.029 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.39 65.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.765 1.745 . . . . 0.0 108.631 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -55.43 -42.71 74.57 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 113.064 -1.88 . . . . 0.0 115.356 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.86 -37.4 71.25 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.884 -1.135 . . . . 0.0 113.583 171.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -74.39 -32.66 62.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.629 -1.919 . . . . 0.0 114.217 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -63.95 -48.91 74.66 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.122 -1.611 . . . . 0.0 112.5 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 pt -87.5 -19.96 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 O-C-N 120.758 -1.214 . . . . 0.0 113.842 -176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.66 47.49 7.24 Favored Glycine 0 N--CA 1.431 -1.698 0 CA-C-O 117.653 -1.637 . . . . 0.0 116.876 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.25 128.21 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 123.619 3.71 . . . . 0.0 108.279 164.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -110.59 146.31 36.34 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.04 0.936 . . . . 0.0 111.924 -167.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 30.4 t60 -87.89 -81.04 0.25 Allowed 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.57 -1.331 . . . . 0.0 109.301 169.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -89.17 37.68 0.86 Allowed 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.475 -1.39 . . . . 0.0 114.448 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.59 -1.83 60.43 Favored Glycine 0 N--CA 1.43 -1.75 0 O-C-N 121.349 -0.844 . . . . 0.0 113.001 -166.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.253 48.4 mtt85 -119.96 164.97 15.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.395 -2.827 . . . . 0.0 111.624 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -78.29 147.65 34.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.321 -1.487 . . . . 0.0 110.289 -167.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.6 124.68 39.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.978 1.847 . . . . 0.0 113.076 -152.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -99.28 169.29 9.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.971 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -71.56 -43.82 65.65 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.089 -1.632 . . . . 0.0 114.694 -174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -65.45 -40.2 92.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 123.989 1.852 . . . . 0.0 115.82 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -77.59 -29.68 52.12 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.29 -50.82 72.52 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.291 1.043 . . . . 0.0 111.591 161.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -65.16 -28.84 69.68 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.159 -2.838 . . . . 0.0 116.15 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.252 28.7 pttt -69.96 -36.13 75.0 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 170.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 pt -64.44 -42.48 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.471 -1.393 . . . . 0.0 113.765 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -86.6 -40.27 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.425 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -79.71 -60.52 2.32 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.372 -1.455 . . . . 0.0 114.922 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -86.82 13.11 9.46 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 -164.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -45.98 158.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.2 p -83.87 170.91 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.67 -1.894 . . . . 0.0 107.937 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.36 -46.3 84.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.445 -1.409 . . . . 0.0 111.411 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -60.33 -35.55 75.91 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.68 -40.43 94.93 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.296 -1.503 . . . . 0.0 114.602 170.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -73.98 -43.87 56.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.372 1.469 . . . . 0.0 110.876 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -70.69 -9.69 57.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.686 1.594 . . . . 0.0 112.75 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 m -79.42 -61.66 1.93 Allowed 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 174.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.21 -35.27 48.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 119.505 3.15 . . . . 0.0 119.505 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.83 -38.88 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 168.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.78 -38.71 80.2 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.053 -2.279 . . . . 0.0 116.253 170.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -87.58 -38.14 16.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.093 -1.63 . . . . 0.0 112.738 -172.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -113.0 65.34 0.64 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 125.226 1.41 . . . . 0.0 107.762 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.34 -71.21 0.07 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -75.35 -40.6 58.04 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 123.946 0.899 . . . . 0.0 112.655 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.44 94.27 Favored Glycine 0 N--CA 1.43 -1.719 0 O-C-N 120.2 -1.563 . . . . 0.0 116.918 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.408 0.1 OUTLIER -77.92 -30.71 50.67 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.591 -176.69 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.66 -58.5 3.39 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 122.801 2.546 . . . . 0.0 114.715 169.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.73 -57.56 7.09 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 122.653 1.141 . . . . 0.0 115.285 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -71.15 -22.64 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 118.741 -2.623 . . . . 0.0 114.455 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -69.47 -41.3 76.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.474 -2.016 . . . . 0.0 112.699 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . 0.259 19.4 mmt180 -49.5 -41.97 42.27 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.495 1.952 . . . . 0.0 113.917 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -69.68 -55.51 9.77 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 128.171 2.588 . . . . 0.0 105.809 -172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 88' ' ' THR . 74.5 mt -60.32 -36.9 79.0 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.867 -1.771 . . . . 0.0 115.017 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -59.27 4.47 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.106 -1.622 . . . . 0.0 109.919 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.254 7.5 ptp -57.31 -32.85 67.08 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.5 m-85 -78.35 -12.46 60.0 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.658 -1.277 . . . . 0.0 112.832 -174.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.7 t -131.84 51.66 2.13 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 122.407 1.099 . . . . 0.0 110.844 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -96.05 114.87 26.62 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.782 -1.199 . . . . 0.0 108.253 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt . . . . . 0 N--CA 1.43 -1.44 0 O-C-N 121.175 -0.953 . . . . 0.0 110.884 177.011 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 120.995 0.426 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.423 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 0.0 OUTLIER -117.29 152.1 35.57 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.529 -1.357 . . . . 0.0 107.857 167.588 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -73.9 -51.57 15.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.936 -2.353 . . . . 0.0 108.972 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 tt -44.28 -55.25 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.152 3.019 . . . . 0.0 119.152 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -67.52 -31.43 71.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.504 1.121 . . . . 0.0 112.426 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 83.2 m -63.73 -47.83 79.5 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.026 -1.671 . . . . 0.0 114.285 167.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.82 -39.08 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 126.7 2.0 . . . . 0.0 110.596 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -57.28 -57.24 13.5 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 130.821 3.648 . . . . 0.0 112.688 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -69.55 -26.14 64.36 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.752 -2.468 . . . . 0.0 115.102 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.459 ' CG1' HG11 ' B' ' 42' ' ' VAL . 33.1 mt -74.32 -26.03 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 119.944 -1.722 . . . . 0.0 111.342 174.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.04 -49.85 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.455 -2.028 . . . . 0.0 111.509 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . 0.31 2.1 p -69.7 -36.0 75.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 123.754 0.822 . . . . 0.0 112.829 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 HD11 ' A' ' 17' ' ' ILE . 2.5 t -59.15 -42.92 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 125.016 1.326 . . . . 0.0 114.531 165.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.5 63.04 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.004 -1.06 . . . . 0.0 108.896 -171.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -76.02 -14.17 60.22 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 17' ' ' ILE . 28.4 mm -59.23 -51.95 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 121.053 1.751 . . . . 0.0 112.238 160.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' B' ' 36' ' ' PHE . 0.9 OUTLIER -66.19 -28.88 69.1 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.994 -1.691 . . . . 0.0 112.892 -178.137 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -76.96 -36.18 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 119.351 -2.093 . . . . 0.0 108.603 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -57.89 -42.48 84.73 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.617 1.567 . . . . 0.0 113.121 170.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.31 3.84 48.2 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 119.924 -1.735 . . . . 0.0 115.182 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t 69.42 37.58 1.98 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.869 -1.769 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -114.96 43.65 1.94 Allowed 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.398 2.279 . . . . 0.0 112.668 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.407 0.0 OUTLIER -57.38 -21.49 36.35 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 170.335 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -40.92 -38.4 0.95 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.62 3.193 . . . . 0.0 119.62 159.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mt -73.55 -40.23 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.614 -1.929 . . . . 0.0 110.393 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.74 -36.71 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 126.655 1.982 . . . . 0.0 112.329 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.89 -21.45 66.47 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.269 2.628 . . . . 0.0 116.027 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -112.32 126.11 54.9 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.001 -1.687 . . . . 0.0 111.687 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -51.48 -57.59 8.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.791 2.036 . . . . 0.0 113.987 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.48 -35.02 58.65 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 119.239 -2.163 . . . . 0.0 114.716 -170.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -55.56 -41.92 73.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 168.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.62 -46.31 83.13 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.538 1.535 . . . . 0.0 112.383 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' B' ' 54' ' ' PHE . 64.8 mt -57.38 -41.53 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.108 1.763 . . . . 0.0 113.984 170.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.57 91.67 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.408 -2.057 . . . . 0.0 114.536 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 18' ' ' LEU 0.304 20.5 t80 -57.31 -42.75 82.42 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.459 2.303 . . . . 0.0 112.487 165.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.91 -35.1 78.95 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.587 -1.946 . . . . 0.0 112.006 174.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -73.59 -29.54 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.679 -1.888 . . . . 0.0 114.26 170.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.37 -61.79 2.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 167.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -82.01 -14.63 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.296 -1.503 . . . . 0.0 112.319 -168.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.99 45.03 6.46 Favored Glycine 0 N--CA 1.431 -1.661 0 O-C-N 120.885 -1.134 . . . . 0.0 115.807 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.459 HG11 ' CG1' ' B' ' 11' ' ' ILE . 93.1 t -78.41 108.35 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 161.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -110.43 119.05 37.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.698 -1.252 . . . . 0.0 109.89 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 45' ' ' GLU . 35.7 t60 -66.96 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 44' ' ' HIS . 92.3 mt-10 -91.48 51.01 1.81 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.017 -2.927 . . . . 0.0 109.396 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 11.16 74.37 Favored Glycine 0 N--CA 1.43 -1.742 0 CA-C-O 116.297 -2.39 . . . . 0.0 114.274 -174.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -133.49 161.96 33.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.238 2.519 . . . . 0.0 106.59 -174.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.57 157.84 22.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.26 -1.525 . . . . 0.0 111.32 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.01 132.98 33.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.578 1.656 . . . . 0.0 111.563 -166.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -93.29 163.75 13.49 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.342 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -62.86 -47.58 82.73 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.618 1.567 . . . . 0.0 113.171 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -72.06 -42.14 66.58 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.646 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -74.45 -30.61 61.94 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 125.621 3.828 . . . . 0.0 112.68 -176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.489 ' CD2' HD11 ' B' ' 34' ' ' ILE . 52.9 t80 -46.65 -52.82 12.87 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 159.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -65.25 -29.9 70.73 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.63 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 33.2 pttt -67.75 -24.36 65.34 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 118.223 2.675 . . . . 0.0 118.223 165.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.402 HG13 HG13 ' B' ' 58' ' ' VAL 0.311 41.1 pt -68.53 -53.39 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 CA-C-N 123.679 2.945 . . . . 0.0 115.124 166.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.402 HG13 HG13 ' B' ' 57' ' ' ILE . 23.0 m -70.07 -35.87 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -75.07 -57.4 3.92 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 116.882 -3.637 . . . . 0.0 114.983 -171.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -78.67 13.41 1.66 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.665 -3.147 . . . . 0.0 118.184 -169.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.97 146.77 45.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.422 -2.049 . . . . 0.0 111.614 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -88.84 172.88 8.87 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 118.882 -2.386 . . . . 0.0 107.996 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -54.03 -46.33 71.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.325 -2.109 . . . . 0.0 114.145 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -67.76 -32.59 73.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -69.76 -35.03 74.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.175 -1.578 . . . . 0.0 112.278 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.81 -46.31 58.62 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.044 1.338 . . . . 0.0 109.485 175.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -56.18 -28.56 58.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 49.9 m -67.98 -34.85 77.33 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.706 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.39 -41.57 69.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.004 -1.685 . . . . 0.0 113.648 167.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.1 -46.01 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 118.753 -2.467 . . . . 0.0 115.945 171.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.58 -48.6 66.11 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -92.88 -18.7 22.49 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.934 1.243 . . . . 0.0 113.425 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.2 74.77 1.6 Allowed 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.611 -1.306 . . . . 0.0 107.683 -170.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -69.82 0.25 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.576 1.15 . . . . 0.0 112.557 -172.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.42 -42.85 98.73 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.77 -1.832 . . . . 0.0 114.703 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.62 -56.9 12.63 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-O 117.005 -1.997 . . . . 0.0 113.333 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.289 0.8 OUTLIER -77.77 -37.32 49.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 121.115 2.458 . . . . 0.0 112.322 -171.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . 0.28 61.3 mt-10 -39.85 -59.95 1.09 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 163.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.84 -63.07 4.46 Favored Glycine 0 N--CA 1.43 -1.712 0 O-C-N 118.2 -2.813 . . . . 0.0 116.007 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.17 -24.77 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.02 -1.871 . . . . 0.0 114.292 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -81.01 -14.41 57.94 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.24 -2.163 . . . . 0.0 113.299 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -61.45 -55.54 30.17 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.007 -2.308 . . . . 0.0 111.439 158.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.56 -50.37 60.22 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.661 2.784 . . . . 0.0 116.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.42 -47.11 83.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.771 -3.081 . . . . 0.0 111.294 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -67.63 -37.84 83.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.001 -1.687 . . . . 0.0 113.49 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -78.15 -16.95 57.46 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.521 -1.987 . . . . 0.0 113.133 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -93.39 1.22 56.97 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.486 -2.009 . . . . 0.0 112.576 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.3 0.1 OUTLIER -138.86 75.0 1.5 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 168.507 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -113.13 83.34 1.81 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.918 1.818 . . . . 0.0 109.983 163.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tptt . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -177.469 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.431 -1.402 0 CA-C-O 121.844 0.83 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 20.4 pttm -105.97 166.03 10.78 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.594 1.188 . . . . 0.0 111.255 -177.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -46.79 -65.18 0.6 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -47.07 -47.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.28 -18.95 65.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.321 1.849 . . . . 0.0 115.197 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 19.5 m -93.96 -34.78 12.93 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 110.029 175.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 8' ' ' VAL . 4.3 t -58.12 -42.76 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 118.456 -2.653 . . . . 0.0 110.694 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -44.45 -61.68 1.45 Allowed 'General case' 0 N--CA 1.43 -1.457 1 C-N-CA 132.648 4.379 . . . . 0.0 112.803 173.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.1 -24.0 67.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 173.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -81.97 -35.65 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 119.335 -2.103 . . . . 0.0 110.058 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.71 -39.92 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 128.59 2.756 . . . . 0.0 114.492 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.52 -41.52 38.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.602 HG13 HD11 ' B' ' 17' ' ' ILE . 2.5 t -50.34 -43.62 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 126.645 1.978 . . . . 0.0 115.632 164.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.75 87.22 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.579 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.0 p -69.19 -16.08 63.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 17' ' ' ILE . 12.6 mm -62.44 -49.27 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 120.996 1.725 . . . . 0.0 110.793 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 26' ' ' ILE . 5.0 mp -61.44 -36.94 81.79 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.624 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -75.65 -26.85 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.594 -1.942 . . . . 0.0 112.073 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.94 98.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.322 1.449 . . . . 0.0 113.088 169.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -90.25 2.2 55.69 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 67.47 47.09 1.28 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.982 1.713 . . . . 0.0 113.948 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -123.22 34.7 5.05 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.158 2.183 . . . . 0.0 111.84 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.328 0.0 OUTLIER -57.68 -24.9 59.13 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 176.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -47.8 -32.32 5.9 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' ' 18' ' ' LEU . 20.6 mt -69.32 -43.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 O-C-N 119.975 -1.703 . . . . 0.0 111.78 172.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -67.04 -36.63 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 C-N-CA 127.332 2.253 . . . . 0.0 112.925 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 tm-20 -60.98 -20.98 63.07 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 129.088 2.955 . . . . 0.0 116.746 -168.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -130.73 128.12 40.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.202 1.001 . . . . 0.0 112.348 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -53.63 -45.51 70.19 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.38 63.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.448 -2.658 . . . . 0.0 116.991 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -78.54 -39.62 37.35 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.645 -1.285 . . . . 0.0 108.449 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.2 -54.7 43.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 126.361 1.865 . . . . 0.0 112.866 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 54' ' ' PHE . 20.7 mt -55.97 -41.8 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.393 2.277 . . . . 0.0 114.457 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.22 69.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -35.88 33.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 126.531 1.932 . . . . 0.0 109.596 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.99 -48.13 79.16 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.111 -1.618 . . . . 0.0 112.307 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -65.05 -16.42 63.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.405 -2.06 . . . . 0.0 116.52 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.47 -60.77 2.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.749 1.613 . . . . 0.0 113.351 167.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -86.51 -4.73 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -166.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.68 39.8 6.52 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 121.262 -0.899 . . . . 0.0 113.371 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.517 HG23 HD11 ' A' ' 40' ' ' ILE . 56.1 t -82.84 119.8 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 CA-C-N 119.996 1.898 . . . . 0.0 108.102 167.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -113.79 149.57 34.73 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.37 -1.456 . . . . 0.0 110.211 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.453 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 12.2 t60 -78.94 -87.07 0.06 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.51 -1.994 . . . . 0.0 113.978 166.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -91.6 50.96 1.79 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.035 -1.666 . . . . 0.0 110.369 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.98 19.04 28.8 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 -169.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -133.59 161.79 33.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -76.62 141.85 40.89 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.667 1.223 . . . . 0.0 111.461 -167.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -97.93 126.81 43.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.978 1.311 . . . . 0.0 108.94 -156.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -97.06 153.7 17.78 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.018 1.327 . . . . 0.0 111.036 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.27 -37.88 87.18 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -68.96 -54.15 16.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.008 1.323 . . . . 0.0 113.404 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -78.95 -10.56 59.86 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.178 -2.826 . . . . 0.0 115.083 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 34' ' ' ILE . 57.5 t80 -57.31 -55.14 38.63 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.265 1.507 . . . . 0.0 111.125 159.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -61.33 -31.95 71.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.234 -0.916 . . . . 0.0 112.994 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.312 8.4 pttp -63.0 -49.83 73.12 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 119.651 1.114 . . . . 0.0 113.546 168.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.332 24.4 pt -53.79 -51.07 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 CA-C-N 121.75 2.068 . . . . 0.0 114.716 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.05 -31.48 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 t -82.73 -43.53 16.7 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -86.82 3.94 43.17 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -159.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.7 mt -51.68 145.68 8.91 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 125.774 1.63 . . . . 0.0 113.024 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -87.41 177.07 7.22 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.71 -46.01 76.9 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.304 -2.122 . . . . 0.0 110.363 173.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.08 -39.51 63.38 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 170.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -68.37 -33.97 75.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.859 -1.776 . . . . 0.0 114.588 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.16 -31.61 30.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.528 -1.982 . . . . 0.0 110.549 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.99 85.53 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.575 -1.328 . . . . 0.0 110.034 171.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.8 m -59.0 -38.62 79.61 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.492 1.917 . . . . 0.0 113.995 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.02 -43.63 57.27 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 119.922 -1.736 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.4 -42.52 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.337 1.455 . . . . 0.0 113.533 172.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.71 -48.17 82.76 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.936 1.695 . . . . 0.0 114.634 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -86.97 -28.01 22.94 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.902 -1.749 . . . . 0.0 115.357 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -121.84 66.92 0.91 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -58.04 -68.09 0.28 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.392 1.477 . . . . 0.0 112.832 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.0 -36.18 79.56 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.086 2.154 . . . . 0.0 112.701 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -59.31 9.32 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 124.617 1.103 . . . . 0.0 115.382 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -84.24 -24.86 29.82 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 119.375 1.588 . . . . 0.0 110.358 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.69 -54.62 44.04 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.803 -2.435 . . . . 0.0 111.909 168.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.32 -70.12 1.09 Allowed Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.442 -1.411 . . . . 0.0 116.305 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.99 -26.13 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.303 -2.292 . . . . 0.0 115.75 -169.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -80.87 -15.72 55.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 119.239 0.927 . . . . 0.0 113.087 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -63.27 -46.89 84.71 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 115.291 -2.564 . . . . 0.0 111.727 161.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -61.49 -57.25 12.92 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.951 1.701 . . . . 0.0 109.031 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -30.85 64.54 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.443 -2.036 . . . . 0.0 116.219 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.38 -45.88 36.39 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.795 -1.816 . . . . 0.0 110.885 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ptp -81.56 -18.46 44.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.027 -2.295 . . . . 0.0 113.114 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 14.4 m-30 -87.58 -3.32 58.99 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 125.055 1.342 . . . . 0.0 110.996 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.378 7.0 t -151.05 85.49 1.35 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.796 1.284 . . . . 0.0 112.186 169.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.4 81.66 1.83 Allowed 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 157.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -176.372 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -119.89 177.89 4.8 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.649 -1.907 . . . . 0.0 109.882 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.22 -37.48 80.88 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.4 -1.438 . . . . 0.0 114.217 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 5' ' ' ILE . 6.7 tt -89.04 -34.63 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.552 2.341 . . . . 0.0 110.065 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.62 -34.44 65.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.621 1.568 . . . . 0.0 112.422 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.2 m -69.01 -47.66 64.92 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.568 -2.582 . . . . 0.0 112.439 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.56 -35.63 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 119.731 -1.856 . . . . 0.0 114.879 166.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -69.69 -51.5 33.96 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.555 2.342 . . . . 0.0 111.448 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.16 -49.98 50.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.245 1.418 . . . . 0.0 114.47 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.469 HG12 HG11 ' B' ' 42' ' ' VAL . 24.3 mt -70.5 -25.55 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.389 0 O-C-N 119.396 -2.065 . . . . 0.0 114.097 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.42 -55.13 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 118.975 -2.328 . . . . 0.0 112.052 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.0 -37.04 85.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.414 1.486 . . . . 0.0 113.833 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 17' ' ' ILE . 2.8 t -61.46 -42.99 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 125.32 1.448 . . . . 0.0 112.823 171.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.65 70.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.088 -2.257 . . . . 0.0 113.063 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 99.2 p -67.87 -22.93 65.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.101 -2.249 . . . . 0.0 114.835 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 14' ' ' VAL . 20.8 mm -51.82 -54.06 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.061 1.345 . . . . 0.0 112.327 159.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB ' ' B' ' 26' ' ' ILE . 3.0 mp -57.7 -42.99 84.85 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.48 -34.54 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 119.758 -1.839 . . . . 0.0 113.456 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -48.71 65.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.67 -1.894 . . . . 0.0 114.113 167.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -81.78 1.75 33.19 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.488 -1.383 . . . . 0.0 114.452 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t 57.7 41.79 24.76 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 126.742 2.017 . . . . 0.0 114.845 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -105.72 48.02 0.85 Allowed 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 128.158 2.583 . . . . 0.0 109.85 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.251 0.1 OUTLIER -71.57 -16.67 62.31 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.789 -1.819 . . . . 0.0 114.765 -178.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -54.56 -29.61 51.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.424 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.1 mt -71.79 -40.77 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 O-C-N 119.712 -1.867 . . . . 0.0 110.481 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.99 -42.61 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 126.279 1.832 . . . . 0.0 111.267 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 13.5 tm-20 -50.77 -19.77 1.06 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -130.44 122.82 28.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.339 -1.476 . . . . 0.0 109.079 173.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -56.36 -41.85 76.83 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.578 1.151 . . . . 0.0 113.388 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.86 -30.64 69.2 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 119.397 -2.064 . . . . 0.0 116.109 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -77.07 -33.43 57.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.08 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.13 -48.96 77.81 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.401 1.88 . . . . 0.0 112.799 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 54' ' ' PHE . 32.2 mt -60.42 -36.22 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.199 2.2 . . . . 0.0 112.83 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.45 69.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.99 1.316 . . . . 0.0 108.002 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.283 5.0 t80 -54.21 -42.98 70.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.038 2.135 . . . . 0.0 115.762 167.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.71 -38.21 80.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.894 -2.379 . . . . 0.0 113.929 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.24 -26.95 65.04 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.428 -2.045 . . . . 0.0 113.412 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.98 -57.75 5.65 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.026 1.33 . . . . 0.0 112.969 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.544 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -87.89 -19.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.802 -1.186 . . . . 0.0 112.838 -170.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.31 7.72 Favored Glycine 0 N--CA 1.429 -1.798 0 N-CA-C 115.87 1.108 . . . . 0.0 115.87 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.544 HG23 HD11 ' B' ' 40' ' ' ILE 0.324 21.9 t -70.22 116.79 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 120.575 -1.544 . . . . 0.0 110.531 160.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -121.21 154.16 36.65 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.392 1.077 . . . . 0.0 110.541 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.29 9.3 t60 -86.86 -95.32 0.09 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.108 -0.995 . . . . 0.0 113.259 172.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.3 53.19 2.25 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.785 -1.822 . . . . 0.0 111.954 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.72 7.78 66.2 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 118.42 -2.675 . . . . 0.0 115.049 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -122.44 155.44 36.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.735 1.614 . . . . 0.0 111.281 -170.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -65.7 132.67 49.35 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.706 1.603 . . . . 0.0 111.377 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.91 130.23 34.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 123.092 1.425 . . . . 0.0 112.016 -162.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -96.12 158.3 15.5 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.116 1.366 . . . . 0.0 112.227 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -65.98 -40.12 90.96 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.665 -1.272 . . . . 0.0 113.794 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -76.38 -46.49 27.13 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.271 1.428 . . . . 0.0 113.166 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.7 m -79.39 -9.55 59.62 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.502 -1.374 . . . . 0.0 113.752 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' B' ' 34' ' ' ILE . 90.3 t80 -64.34 -51.66 62.26 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.574 -1.329 . . . . 0.0 109.771 159.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -66.41 -25.22 66.66 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.982 -1.699 . . . . 0.0 112.346 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.32 3.1 pttp -64.13 -52.07 60.9 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 167.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.296 23.6 pt -46.33 -44.11 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 CA-C-N 121.73 2.059 . . . . 0.0 115.264 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.91 -40.94 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -74.95 -46.47 35.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.64 9.1 2.44 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.347 1.859 . . . . 0.0 115.737 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 140.96 58.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.324 -1.485 . . . . 0.0 111.936 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 81.8 p -86.72 171.25 11.07 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.806 -1.184 . . . . 0.0 109.89 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.73 -38.62 91.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.415 -1.428 . . . . 0.0 112.263 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.43 -35.58 77.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 171.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -66.93 -37.93 85.24 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.968 -1.708 . . . . 0.0 111.862 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -77.56 -36.73 51.85 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.315 -1.491 . . . . 0.0 110.762 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -43.15 67.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.935 1.294 . . . . 0.0 111.799 162.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -64.34 -44.59 91.0 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -47.27 87.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.78 -1.2 . . . . 0.0 112.974 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 97.6 mt -55.8 -39.35 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.752 1.221 . . . . 0.0 112.941 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.0 -35.59 80.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.027 -1.671 . . . . 0.0 114.815 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -86.55 -40.99 14.69 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.105 -1.622 . . . . 0.0 111.758 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.22 70.26 0.88 Allowed 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.898 1.679 . . . . 0.0 109.061 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -56.34 -69.69 0.14 Allowed 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 125.791 1.636 . . . . 0.0 112.287 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -58.08 -51.51 69.41 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.074 1.749 . . . . 0.0 112.862 177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.99 -53.03 24.87 Favored Glycine 0 N--CA 1.431 -1.691 0 O-C-N 120.87 -1.144 . . . . 0.0 115.645 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.28 5.5 t80 -73.02 -33.2 65.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 119.934 1.867 . . . . 0.0 110.456 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.66 -53.87 45.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 121.198 1.817 . . . . 0.0 114.061 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.81 10.49 Favored Glycine 0 N--CA 1.431 -1.658 0 O-C-N 119.596 -1.94 . . . . 0.0 116.067 171.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.08 -17.79 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 118.372 -2.84 . . . . 0.0 114.036 -170.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -87.28 -10.85 51.31 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.222 -1.549 . . . . 0.0 111.985 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -62.82 -46.15 89.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.892 -2.38 . . . . 0.0 110.043 157.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -69.17 -54.37 15.21 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.913 1.685 . . . . 0.0 110.484 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 79.0 mt -59.91 -42.63 94.3 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.153 -1.592 . . . . 0.0 111.398 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.24 -40.67 90.38 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.119 -1.613 . . . . 0.0 115.056 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 15.2 ptp -75.51 -14.78 60.43 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.38 -1.45 . . . . 0.0 114.436 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 21.8 m-85 -94.11 -4.46 49.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.089 1.356 . . . . 0.0 110.985 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.78 87.49 2.42 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 166.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.57 113.47 19.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 168.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 175.595 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 t30 . . . . . 0 N--CA 1.43 -1.442 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -120.44 168.73 11.01 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.423 1.889 . . . . 0.0 106.647 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -73.06 -47.4 45.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 123.399 1.571 . . . . 0.0 111.949 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 tt -58.89 -39.57 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 C-N-CA 127.166 2.186 . . . . 0.0 113.419 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -46.33 84.41 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.838 1.655 . . . . 0.0 111.734 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -67.83 -42.27 81.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.3 83.1 t -46.7 -47.41 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 162.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -67.43 -40.17 85.45 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -74.77 -26.26 59.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 118.091 -2.881 . . . . 0.0 114.882 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.65 -33.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 119.965 -1.709 . . . . 0.0 111.54 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 80' ' ' VAL . 20.7 mt -57.36 -44.72 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 121.018 1.735 . . . . 0.0 113.957 170.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.281 7.0 p -65.6 -44.32 86.97 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.304 -0.873 . . . . 0.0 111.421 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.564 HG13 HD11 ' B' ' 17' ' ' ILE . 29.4 t -55.85 -42.1 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 125.984 1.713 . . . . 0.0 114.654 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.4 -29.57 37.74 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 117.477 -1.689 . . . . 0.0 107.148 -168.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.5 p -72.09 -13.91 61.71 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.594 -1.942 . . . . 0.0 114.486 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' B' ' 17' ' ' ILE . 29.7 mm -60.58 -51.55 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 CA-C-N 121.065 1.757 . . . . 0.0 111.87 160.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.89 -33.02 74.87 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.557 -1.339 . . . . 0.0 112.628 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.282 37.1 mt -72.0 -31.93 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.614 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -57.83 -43.48 85.84 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.613 -1.304 . . . . 0.0 113.592 168.62 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.92 2.09 56.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.505 1.522 . . . . 0.0 114.094 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.373 1.7 t 54.18 51.33 14.66 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 118.939 2.94 . . . . 0.0 118.939 -171.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -115.41 51.33 0.93 Allowed 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 168.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -18.27 64.78 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.744 2.018 . . . . 0.0 115.131 174.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -48.15 -32.0 6.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 162.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.22 -48.31 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.53 -2.606 . . . . 0.0 111.006 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.56 -43.93 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 C-N-CA 125.874 1.67 . . . . 0.0 111.28 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 4.8 tm-20 -50.16 -24.75 2.98 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -111.92 126.39 55.06 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.86 -1.775 . . . . 0.0 110.496 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -41.98 -53.27 3.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.169 2.588 . . . . 0.0 114.297 172.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.47 32.5 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.026 -2.296 . . . . 0.0 114.418 -172.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -68.85 -35.09 76.51 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 119.5 1.046 . . . . 0.0 112.34 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -58.61 -55.81 30.25 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 168.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 54' ' ' PHE . 58.5 mt -54.96 -29.51 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 O-C-N 119.104 -2.247 . . . . 0.0 116.179 172.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.56 61.68 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.273 -2.142 . . . . 0.0 112.979 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.303 2.0 t80 -71.38 -38.74 71.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.308 1.443 . . . . 0.0 111.548 170.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.3 -44.41 84.07 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.891 1.276 . . . . 0.0 112.516 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.33 -23.37 66.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.14 1.376 . . . . 0.0 113.907 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.0 -64.33 1.21 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 119.71 1.141 . . . . 0.0 112.767 172.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 HD13 ' B' ' 17' ' ' ILE 0.281 0.1 OUTLIER -72.58 -17.02 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-N 121.43 1.923 . . . . 0.0 113.675 -173.645 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 38.1 5.54 Favored Glycine 0 N--CA 1.43 -1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 114.87 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG23 HD11 ' A' ' 40' ' ' ILE . 51.5 t -74.93 114.58 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.6 p -96.57 156.2 16.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.341 1.057 . . . . 0.0 109.85 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.286 25.6 t60 -77.82 -99.31 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 157.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -88.25 49.34 1.78 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.321 -2.112 . . . . 0.0 111.361 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.54 6.95 72.48 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -117.59 162.73 17.54 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.528 -0.983 . . . . 0.0 109.167 -170.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.91 140.13 53.07 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.955 -1.091 . . . . 0.0 111.441 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.28 127.24 40.03 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 -164.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -97.43 -173.07 2.55 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.071 -1.018 . . . . 0.0 111.674 -171.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -90.29 -43.72 10.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.307 -2.121 . . . . 0.0 111.193 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -60.67 -50.18 74.52 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-O 122.653 1.216 . . . . 0.0 114.136 175.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -83.38 -7.58 59.54 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.105 1.362 . . . . 0.0 113.893 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD2' HD11 ' A' ' 34' ' ' ILE . 41.0 t80 -71.84 -46.26 58.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.638 -1.914 . . . . 0.0 107.704 166.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -70.88 -16.84 62.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.577 -1.952 . . . . 0.0 110.982 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 12.3 ptpt -66.1 -48.12 71.95 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 162.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.309 36.5 pt -57.32 -44.73 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 124.639 1.175 . . . . 0.0 113.942 -174.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.78 -48.17 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 C-N-CA 124.445 1.098 . . . . 0.0 113.757 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -76.47 -54.07 7.23 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.895 -1.753 . . . . 0.0 113.576 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.322 5.9 pt-20 -82.75 12.93 4.2 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -165.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.1 mt -53.04 155.8 2.36 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.62 -1.3 . . . . 0.0 113.995 170.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.9 p -85.46 170.09 13.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.778 . . . . 0.0 110.945 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.66 -27.8 64.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.387 -2.071 . . . . 0.0 114.603 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.87 -34.42 76.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.076 -2.265 . . . . 0.0 114.561 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -65.09 -42.06 94.4 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.435 1.494 . . . . 0.0 112.345 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.05 -34.88 57.13 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.486 -1.384 . . . . 0.0 110.593 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -62.55 -31.82 72.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.305 -2.122 . . . . 0.0 112.401 166.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 m -67.63 -35.75 79.51 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 119.874 1.215 . . . . 0.0 114.133 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.63 -45.53 89.82 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.13 -1.606 . . . . 0.0 112.99 165.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.24 -38.33 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.153 1.381 . . . . 0.0 112.72 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.24 -44.48 71.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.114 -1.616 . . . . 0.0 114.382 172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.84 -19.69 24.34 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 113.167 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.99 83.69 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.941 -1.724 . . . . 0.0 112.719 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.93 -59.2 2.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.758 -1.839 . . . . 0.0 114.514 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.53 -37.8 71.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.47 -1.394 . . . . 0.0 110.971 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -67.44 -55.36 15.57 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 125.286 1.422 . . . . 0.0 115.109 -174.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.332 0.0 OUTLIER -74.19 -44.37 53.6 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.381 -1.658 . . . . 0.0 109.181 -177.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.69 -42.06 92.12 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 120.782 1.628 . . . . 0.0 113.98 -170.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.02 -63.52 5.12 Favored Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 167.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 76' ' ' GLY . 18.4 m -65.55 -23.14 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 118.817 -2.578 . . . . 0.0 115.676 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -76.28 -27.11 56.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 118.675 -2.516 . . . . 0.0 113.087 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.91 -43.29 96.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.022 1.283 . . . . 0.0 109.622 168.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.86 -59.69 4.99 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.624 1.969 . . . . 0.0 109.298 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.77 -40.68 76.27 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.167 -1.583 . . . . 0.0 113.836 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.15 -46.05 89.05 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.089 -2.257 . . . . 0.0 116.445 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.4 ptp -71.66 -20.23 61.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.63 -1.919 . . . . 0.0 113.511 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 12.1 m-85 -80.51 -15.65 56.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.3 2.9 t -145.48 72.86 1.33 Allowed 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 111.651 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.26 130.22 55.18 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.335 1.454 . . . . 0.0 108.104 157.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt . . . . . 0 N--CA 1.43 -1.448 0 O-C-N 120.5 -1.375 . . . . 0.0 108.64 171.191 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 61.4 t30 . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -123.07 159.69 27.94 Favored 'General case' 0 N--CA 1.431 -1.419 1 N-CA-C 97.503 -4.999 . . . . 0.0 97.503 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.417 ' O ' HG23 ' B' ' 8' ' ' VAL . 92.3 m-20 -61.87 -43.73 98.26 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -170.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 tt -52.91 -53.06 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -27.5 67.73 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.139 1.775 . . . . 0.0 113.608 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 120.028 1.285 . . . . 0.0 112.654 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.434 HG21 HD11 ' B' ' 61' ' ' LEU . 3.6 t -61.88 -50.31 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 122.722 2.51 . . . . 0.0 109.927 173.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' B' ' 73' ' ' PHE . 18.7 ttt-85 -39.02 -58.22 1.15 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.487 3.115 . . . . 0.0 116.771 171.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.28 -20.91 59.98 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.125 -2.234 . . . . 0.0 116.883 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 mt -80.4 -23.73 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 119.558 -1.964 . . . . 0.0 111.346 174.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.75 -48.26 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 119.366 -2.084 . . . . 0.0 113.261 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.9 p -58.54 -50.55 73.38 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.37 -37.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 119.442 3.127 . . . . 0.0 119.442 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.33 -36.33 81.23 Favored 'General case' 0 N--CA 1.431 -1.399 1 O-C-N 112.287 -6.508 . . . . 0.0 112.362 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -66.1 -23.48 66.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 mm -59.65 -49.93 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 119.42 -2.05 . . . . 0.0 109.684 170.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.25 -38.98 88.63 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.932 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -66.4 -40.04 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 119.43 -2.044 . . . . 0.0 115.393 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -38.95 18.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 166.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -93.29 2.87 56.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.322 -2.111 . . . . 0.0 114.318 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t 71.75 44.35 0.5 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.21 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.14 50.86 1.5 Allowed 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.037 0.935 . . . . 0.0 109.86 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.341 0.1 OUTLIER -66.28 -10.93 47.21 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.31 -41.83 60.77 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 127.69 2.396 . . . . 0.0 117.206 165.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.64 -40.27 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 O-C-N 119.07 -2.268 . . . . 0.0 110.774 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.3 -40.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 126.651 1.98 . . . . 0.0 113.464 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.9 pt-20 -67.95 -13.59 62.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -164.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -124.58 127.93 48.13 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.623 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -47.84 -40.08 20.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 171.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.7 74.09 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.327 -2.108 . . . . 0.0 115.31 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -65.16 -32.27 73.88 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 122.265 1.031 . . . . 0.0 113.458 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.45 -53.5 34.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 113.902 173.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mt -52.25 -38.87 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 128.332 2.653 . . . . 0.0 115.315 166.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.55 93.63 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.131 -0.981 . . . . 0.0 110.617 173.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -41.14 96.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.149 1.38 . . . . 0.0 114.025 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.87 -42.78 68.97 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 112.922 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -72.56 -19.48 61.49 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.297 -1.502 . . . . 0.0 114.528 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -54.41 8.32 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.262 -2.149 . . . . 0.0 111.376 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 pt -80.07 -24.68 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-O 121.83 0.824 . . . . 0.0 112.02 -169.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.05 36.29 5.79 Favored Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.13 117.13 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-O 123.634 1.683 . . . . 0.0 110.067 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 65.0 p -99.56 152.67 19.77 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.844 2.058 . . . . 0.0 106.925 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.16 -99.88 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.833 -1.167 . . . . 0.0 112.769 159.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -85.0 46.1 1.24 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.971 -2.331 . . . . 0.0 111.935 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.74 -0.94 80.49 Favored Glycine 0 N--CA 1.43 -1.762 0 O-C-N 119.422 -2.048 . . . . 0.0 114.225 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -106.15 157.23 17.71 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.006 1.722 . . . . 0.0 110.08 -167.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.24 134.67 45.74 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 121.544 -0.722 . . . . 0.0 109.935 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 129.57 42.08 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -167.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -100.67 170.74 8.15 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.852 1.261 . . . . 0.0 109.205 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -73.33 -36.85 66.27 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.11 -0.994 . . . . 0.0 113.549 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -74.87 -42.48 57.81 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 123.587 1.66 . . . . 0.0 112.641 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -60.48 -36.17 77.66 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.542 -1.974 . . . . 0.0 114.885 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -56.28 -48.93 75.62 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-O 123.973 1.844 . . . . 0.0 113.356 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -75.44 -10.9 59.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.57 1.652 . . . . 0.0 112.906 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -82.74 -46.26 13.38 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 113.717 -3.193 . . . . 0.0 115.133 170.013 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.326 28.0 pt -53.12 -47.31 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.773 -2.454 . . . . 0.0 116.445 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 m -74.83 -34.32 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.75 -54.91 6.21 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -78.15 8.67 4.55 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -163.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.434 HD11 HG21 ' B' ' 8' ' ' VAL . 82.4 mt -57.02 149.44 19.04 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.844 -1.785 . . . . 0.0 115.707 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -80.9 173.92 12.13 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.604 1.192 . . . . 0.0 111.277 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -67.79 -44.36 77.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.089 -1.632 . . . . 0.0 110.873 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.39 -39.49 76.19 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.236 1.814 . . . . 0.0 112.259 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -61.81 -39.95 93.53 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 122.502 1.144 . . . . 0.0 113.582 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -77.74 -37.74 48.53 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.132 -0.98 . . . . 0.0 111.325 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -64.51 -34.15 77.55 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.204 -1.56 . . . . 0.0 109.094 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 52.9 m -63.42 -45.49 90.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 122.153 2.252 . . . . 0.0 110.66 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.89 -37.66 87.79 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 123.767 0.827 . . . . 0.0 113.204 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.65 -43.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 118.894 0.77 . . . . 0.0 112.184 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.1 -47.9 72.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -69.28 -42.58 75.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 122.923 1.344 . . . . 0.0 113.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' B' ' 9' ' ' ARG . 71.5 m-85 -115.74 60.58 0.71 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.08 -2.263 . . . . 0.0 110.687 -169.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -48.25 -71.77 0.06 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -63.28 -41.63 99.02 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 123.177 1.465 . . . . 0.0 113.487 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -55.19 20.42 Favored Glycine 0 N--CA 1.43 -1.737 0 C-N-CA 125.266 1.412 . . . . 0.0 115.095 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.3 -19.36 50.65 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 119.79 1.795 . . . . 0.0 111.094 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.32 -58.02 10.35 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 120.704 1.593 . . . . 0.0 112.181 164.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.46 -67.21 2.33 Favored Glycine 0 N--CA 1.431 -1.695 0 CA-C-O 122.883 1.268 . . . . 0.0 115.005 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.22 -19.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 118.426 -2.808 . . . . 0.0 115.272 -165.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.44 -16.38 54.52 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.747 1.158 . . . . 0.0 111.698 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -60.38 -50.64 72.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 122.942 2.61 . . . . 0.0 113.434 157.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.04 -60.41 3.82 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.516 1.527 . . . . 0.0 109.48 -174.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.98 -49.53 20.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.303 1.441 . . . . 0.0 114.669 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.87 -50.45 70.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 124.151 0.907 . . . . 0.0 111.422 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 15.0 ptp -67.91 -24.81 65.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.757 -1.214 . . . . 0.0 114.21 -172.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 19.8 m-30 -78.93 -9.64 59.57 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.964 0.905 . . . . 0.0 113.226 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.433 0.2 OUTLIER -119.09 18.33 13.13 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.901 1.334 . . . . 0.0 111.594 177.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -73.34 118.06 15.84 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.1 -2.25 . . . . 0.0 110.217 162.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.516 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 -168.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -117.48 170.59 8.61 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.826 -1.171 . . . . 0.0 109.165 -172.82 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.98 -47.71 61.15 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.792 -1.193 . . . . 0.0 112.89 -166.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 6' ' ' ASP . 19.1 tt -65.27 -47.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 125.914 1.686 . . . . 0.0 112.502 -174.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 5' ' ' ILE . 72.3 m-20 -47.29 -45.89 24.46 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 170.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.9 m -79.63 -28.76 40.89 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.179 0.99 . . . . 0.0 111.748 177.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -64.92 -46.82 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.626 -1.921 . . . . 0.0 108.698 174.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -50.36 -45.74 55.34 Favored 'General case' 0 N--CA 1.43 -1.473 1 O-C-N 115.483 -4.511 . . . . 0.0 121.401 169.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -78.81 -20.61 49.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.657 -1.277 . . . . 0.0 110.811 -175.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.284 29.1 mt -79.24 -30.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.598 172.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.69 -45.87 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.42 2.288 . . . . 0.0 114.345 174.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 p -71.04 -35.76 72.1 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.0 111.263 -177.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 17' ' ' ILE . 2.1 t -61.08 -38.62 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.185 1.394 . . . . 0.0 112.799 170.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.12 75.39 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.595 -1.941 . . . . 0.0 112.824 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -65.55 -21.25 66.59 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.214 -1.554 . . . . 0.0 114.932 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.519 HG21 HG21 ' B' ' 17' ' ' ILE . 1.1 mm -62.53 -50.08 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.71 1.604 . . . . 0.0 112.987 167.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -41.63 74.97 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.476 -1.39 . . . . 0.0 114.416 173.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 24' ' ' GLU . 32.5 mt -69.61 -31.74 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 124.024 0.93 . . . . 0.0 111.258 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.256 0.8 OUTLIER -55.46 -42.18 73.95 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.974 -2.329 . . . . 0.0 113.225 168.535 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -90.97 1.19 57.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.52 -2.612 . . . . 0.0 115.083 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.258 7.7 t 59.16 49.11 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -113.73 45.68 1.41 Allowed 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.365 2.266 . . . . 0.0 110.321 170.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HB3' HG12 ' A' ' 19' ' ' ILE 0.278 1.0 OUTLIER -74.27 -14.1 60.86 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 124.374 2.035 . . . . 0.0 114.422 -173.674 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -54.16 -35.04 61.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 166.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.31 -40.4 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 124.386 2.041 . . . . 0.0 111.508 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.24 -33.04 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.114 2.566 . . . . 0.0 111.049 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 10.6 tm-20 -69.47 -14.18 62.74 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -124.05 121.0 34.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.001 -1.687 . . . . 0.0 110.886 176.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -30.4 -63.58 0.14 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 130.001 3.32 . . . . 0.0 116.894 169.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.51 -24.65 56.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.063 -1.648 . . . . 0.0 114.489 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -81.72 -27.69 33.77 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.649 -1.907 . . . . 0.0 108.25 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -64.52 -50.17 68.39 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.194 0.998 . . . . 0.0 112.842 171.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 mt -53.86 -39.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.922 2.489 . . . . 0.0 114.424 171.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.84 84.54 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.402 -1.436 . . . . 0.0 110.707 175.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.331 3.2 t80 -53.09 -47.14 68.77 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.312 1.845 . . . . 0.0 113.278 169.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.63 -41.17 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.606 1.562 . . . . 0.0 115.105 173.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -75.18 -22.38 58.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 120.335 -1.478 . . . . 0.0 114.252 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.49 -57.71 5.4 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 119.567 1.076 . . . . 0.0 108.507 173.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 pt -71.65 -17.97 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 123.846 0.859 . . . . 0.0 112.636 -173.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.5 46.41 5.22 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 125.5 1.524 . . . . 0.0 116.71 172.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.66 101.17 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.272 1.536 . . . . 0.0 109.619 173.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -97.63 120.61 38.32 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 122.028 0.918 . . . . 0.0 109.413 -177.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 17.1 t60 -65.3 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.32 -1.487 . . . . 0.0 114.716 176.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -87.56 42.61 1.05 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.018 -2.301 . . . . 0.0 110.605 -179.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.06 19.14 79.5 Favored Glycine 0 N--CA 1.43 -1.754 0 O-C-N 119.063 -2.273 . . . . 0.0 114.788 -166.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -118.77 148.31 42.95 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.523 -1.575 . . . . 0.0 107.349 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.54 128.8 36.68 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.438 -0.789 . . . . 0.0 111.197 170.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.87 128.5 34.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.802 1.287 . . . . 0.0 111.856 -150.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.95 153.23 18.99 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.406 -1.434 . . . . 0.0 110.886 -170.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.674 -1.891 . . . . 0.0 114.93 -176.106 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -71.39 -34.64 70.58 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.982 1.713 . . . . 0.0 113.52 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.1 m -84.22 -23.73 30.35 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.664 -1.272 . . . . 0.0 112.35 -178.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.49 -52.49 61.08 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.957 1.703 . . . . 0.0 110.029 167.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -61.09 -30.37 70.31 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.918 -1.114 . . . . 0.0 112.589 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.339 12.3 ptpt -71.17 -41.37 70.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 169.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.342 13.8 pt -57.12 -45.04 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.889 -1.757 . . . . 0.0 114.498 173.356 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.08 -43.37 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -74.82 -50.1 18.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.041 -1.662 . . . . 0.0 115.102 -173.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.264 10.3 pt-20 -87.59 12.74 11.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 -168.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 mt -44.12 145.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.727 2.811 . . . . 0.0 115.087 178.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.8 p -84.57 164.52 18.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.73 -1.856 . . . . 0.0 109.433 -175.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.01 -39.53 74.9 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.205 -1.559 . . . . 0.0 111.95 173.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -68.38 -29.49 68.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.573 2.349 . . . . 0.0 114.138 176.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.87 -38.68 76.48 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.445 -2.035 . . . . 0.0 111.502 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.72 -54.15 7.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.699 2.0 . . . . 0.0 109.66 -177.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -44.59 -32.79 1.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.926 1.29 . . . . 0.0 114.327 164.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 m -77.41 -37.92 50.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.092 -2.255 . . . . 0.0 110.421 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.0 -30.31 50.04 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.681 -1.262 . . . . 0.0 110.041 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.81 -41.3 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.25 -0.907 . . . . 0.0 113.431 171.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -69.61 -39.22 77.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 175.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.2 -32.37 18.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.846 -1.784 . . . . 0.0 113.181 -172.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -122.2 63.09 0.94 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.663 1.585 . . . . 0.0 109.3 -172.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -57.01 -71.12 0.1 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -166.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.09 -42.3 89.52 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.117 1.767 . . . . 0.0 111.753 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -63.08 5.48 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 126.029 1.776 . . . . 0.0 115.137 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.292 3.0 t80 -72.68 -41.07 65.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 117.648 -1.168 . . . . 0.0 110.08 -171.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -46.72 -47.28 20.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.082 2.219 . . . . 0.0 115.999 171.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.55 -63.79 3.54 Favored Glycine 0 N--CA 1.429 -1.826 0 C-N-CA 124.045 0.831 . . . . 0.0 114.881 172.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.77 -22.61 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 118.709 -2.642 . . . . 0.0 113.688 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.43 -35.84 65.85 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.979 -1.701 . . . . 0.0 112.969 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -49.42 -44.21 45.16 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.723 2.056 . . . . 0.0 114.256 164.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -68.1 -52.01 39.9 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.205 1.002 . . . . 0.0 108.754 -176.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.74 -30.1 70.72 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.171 -2.83 . . . . 0.0 116.297 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.78 -64.37 0.87 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.617 -1.302 . . . . 0.0 108.614 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 ptp -57.29 -23.98 51.95 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 120.01 3.337 . . . . 0.0 120.01 -177.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.3 m-30 -89.07 3.53 51.43 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 120.203 1.365 . . . . 0.0 111.325 -174.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 t -142.42 33.21 1.48 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 121.444 -0.785 . . . . 0.0 110.699 169.335 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -76.79 127.29 32.47 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.418 -2.051 . . . . 0.0 110.663 161.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm . . . . . 0 N--CA 1.429 -1.487 0 O-C-N 121.529 -0.732 . . . . 0.0 111.232 177.945 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -117.02 -156.18 0.61 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.79 -51.98 7.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.436 -2.04 . . . . 0.0 112.548 178.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.4 tt -41.13 -49.86 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 128.767 2.827 . . . . 0.0 115.358 170.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -56.65 -34.93 67.8 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.459 2.304 . . . . 0.0 113.567 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.53 -31.26 32.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 111.086 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.46 -42.73 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.489 -2.007 . . . . 0.0 111.698 170.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -52.85 -55.61 21.85 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 131.391 3.876 . . . . 0.0 114.099 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -67.47 -27.55 67.11 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.09 -27.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 O-C-N 120.365 -1.459 . . . . 0.0 113.112 173.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.07 -53.08 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 118.938 -2.351 . . . . 0.0 113.285 170.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -68.74 -39.74 80.18 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.037 0.935 . . . . 0.0 110.387 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.9 -36.4 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 167.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.32 -26.85 30.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.534 -1.979 . . . . 0.0 111.482 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.354 80.9 p -69.74 -22.73 63.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 168.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.611 HD11 HG13 ' A' ' 14' ' ' VAL . 21.1 mm -57.58 -53.59 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-N 120.866 1.667 . . . . 0.0 112.175 162.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' B' ' 36' ' ' PHE . 7.3 mt -64.66 -31.69 73.02 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.833 -175.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.76 -27.41 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.581 1.552 . . . . 0.0 110.451 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -51.01 71.64 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.02 1.328 . . . . 0.0 112.126 163.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.441 -1.412 . . . . 0.0 112.906 177.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.335 1.9 t 91.7 35.64 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 127.211 2.205 . . . . 0.0 111.286 169.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -118.99 57.02 0.89 Allowed 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 127.856 2.463 . . . . 0.0 110.681 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.56 -16.56 56.75 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 176.001 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -19.49 -53.32 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.508 0 C-N-CA 129.39 3.076 . . . . 0.0 119.277 156.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -77.62 -36.26 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 124.671 1.189 . . . . 0.0 112.631 -177.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 t -67.92 -41.31 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 126.426 1.89 . . . . 0.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -54.98 -28.99 55.97 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 129.787 3.235 . . . . 0.0 116.052 -178.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -122.27 118.75 29.28 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.37 -1.457 . . . . 0.0 111.156 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -46.14 68.93 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.81 -27.86 66.23 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.401 -2.062 . . . . 0.0 115.433 -178.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.33 -31.04 30.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -62.15 -50.09 73.25 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.277 1.431 . . . . 0.0 112.722 170.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.415 ' HA ' ' HG ' ' B' ' 37' ' ' LEU . 37.7 mt -55.44 -39.04 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 128.036 2.534 . . . . 0.0 114.356 172.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.76 73.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.764 -1.21 . . . . 0.0 108.882 176.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' B' ' 18' ' ' LEU . 6.3 t80 -57.35 -40.62 78.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.967 2.507 . . . . 0.0 110.76 174.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' B' ' 34' ' ' ILE . 10.1 mt -55.67 -44.12 76.96 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-N 121.406 1.912 . . . . 0.0 114.119 172.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -68.66 -34.06 75.06 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.066 -1.646 . . . . 0.0 114.256 172.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.96 -49.46 70.24 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.463 -1.398 . . . . 0.0 114.74 173.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 pt -79.43 -25.44 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.032 -1.668 . . . . 0.0 110.685 -174.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.55 49.36 3.68 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -176.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.87 127.26 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 118.519 1.159 . . . . 0.0 109.848 157.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -118.31 149.48 41.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.48 1.912 . . . . 0.0 107.884 176.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.268 36.4 t60 -77.93 -103.07 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 111.528 174.163 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -87.66 51.51 2.24 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.248 -1.532 . . . . 0.0 109.94 -174.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.04 5.33 58.19 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.448 -1.407 . . . . 0.0 115.192 -169.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -123.95 171.41 9.74 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 119.673 1.737 . . . . 0.0 109.452 -173.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -72.98 136.82 45.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.39 124.28 34.82 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.491 -1.38 . . . . 0.0 111.755 -168.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.78 164.84 11.52 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.749 1.62 . . . . 0.0 111.726 -167.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.59 -43.29 69.68 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.03 -1.669 . . . . 0.0 112.374 -177.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -73.94 -38.49 64.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.94 -1.1 . . . . 0.0 113.256 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -76.3 -23.09 54.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.499 -1.375 . . . . 0.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -48.2 77.72 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.975 1.369 . . . . 0.0 110.803 168.29 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -66.4 -30.06 70.35 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.77 -1.206 . . . . 0.0 114.16 -177.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . 0.335 0.1 OUTLIER -63.24 -52.15 63.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 164.741 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 57' ' ' ILE 0.322 28.8 pt -53.19 -47.75 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 120.756 1.616 . . . . 0.0 115.088 179.392 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.19 -28.91 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 119.678 -1.889 . . . . 0.0 115.809 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -90.39 -51.29 5.49 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.139 -1.6 . . . . 0.0 115.227 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . 0.366 8.0 pt-20 -84.2 10.93 9.08 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -164.552 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.17 154.92 2.85 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.822 -1.173 . . . . 0.0 113.435 166.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 14.4 p -94.07 173.71 7.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.092 -1.63 . . . . 0.0 109.159 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.15 -44.72 94.77 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.289 -1.507 . . . . 0.0 111.966 172.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -56.23 -45.35 80.01 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 173.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.8 -35.19 79.09 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.607 1.563 . . . . 0.0 112.693 177.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -75.05 -46.51 34.38 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.467 -1.396 . . . . 0.0 108.736 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -34.69 58.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 167.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 73.0 m -61.77 -40.13 94.1 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -77.38 -39.53 46.96 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.531 -1.356 . . . . 0.0 112.595 175.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 73.8 mt -52.36 -42.07 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.042 1.337 . . . . 0.0 113.157 171.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -66.39 -42.21 88.24 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -87.64 -36.08 17.67 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.029 -1.669 . . . . 0.0 112.072 -175.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.47 60.98 0.75 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.99 1.716 . . . . 0.0 110.072 -171.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -52.45 -64.98 0.64 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.024 1.393 . . . . 0.0 114.177 -173.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -39.05 89.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.143 -1.598 . . . . 0.0 114.358 -179.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.59 15.16 Favored Glycine 0 N--CA 1.43 -1.748 0 O-C-N 121.155 -0.966 . . . . 0.0 114.172 -175.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.47 -24.31 61.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.515 1.158 . . . . 0.0 108.979 -174.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.82 -58.1 9.61 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 118.941 -2.35 . . . . 0.0 112.982 169.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.36 -70.64 0.98 Allowed Glycine 0 N--CA 1.431 -1.672 0 O-C-N 120.64 -1.288 . . . . 0.0 113.517 174.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -66.22 -26.26 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 119.581 -2.129 . . . . 0.0 115.659 -172.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.54 -11.83 59.03 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 123.099 2.682 . . . . 0.0 112.968 177.225 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -64.28 -49.86 70.18 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.474 -2.641 . . . . 0.0 113.071 158.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.77 -61.57 2.21 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.624 2.37 . . . . 0.0 107.945 -171.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 88.2 mt -47.44 -38.57 13.77 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -74.93 -36.48 62.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.178 -1.577 . . . . 0.0 111.344 -175.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.251 16.0 ptp -78.18 -28.96 48.3 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.356 -175.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.47 -2.74 57.73 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.803 -1.186 . . . . 0.0 111.371 -175.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.344 0.0 OUTLIER -134.94 47.75 2.33 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 170.009 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -83.49 125.86 32.18 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 148.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? . . . . . 0 N--CA 1.43 -1.455 0 O-C-N 120.55 -1.343 . . . . 0.0 111.002 -166.421 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 122.439 1.114 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 79.0 mttt -111.02 -128.81 0.29 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.414 -1.429 . . . . 0.0 112.291 -163.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.425 HD22 HD23 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -71.58 -41.11 69.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 125.991 1.717 . . . . 0.0 113.725 -179.357 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 6' ' ' ASP . 20.0 tt -58.49 -52.58 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 127.415 2.286 . . . . 0.0 112.453 -173.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' N ' HG23 ' A' ' 5' ' ' ILE . 15.8 m-20 -48.82 -34.88 13.27 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.782 2.433 . . . . 0.0 114.146 176.646 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 m -84.27 -47.17 11.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.662 -2.524 . . . . 0.0 110.668 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG21 HD21 ' A' ' 61' ' ' LEU . 1.7 t -37.78 -52.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 O-C-N 119.61 -1.932 . . . . 0.0 115.773 161.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -51.45 -42.55 61.64 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 129.085 2.954 . . . . 0.0 116.603 176.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.72 -45.37 37.06 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.631 -1.918 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.465 ' H ' HG13 ' A' ' 11' ' ' ILE . 3.7 mt -59.95 -24.8 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 169.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.34 -48.0 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 117.305 -3.372 . . . . 0.0 112.628 172.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -63.92 -54.89 27.64 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.228 -1.545 . . . . 0.0 112.427 175.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.623 HG13 HD11 ' B' ' 17' ' ' ILE . 7.1 t -37.6 -35.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 118.749 2.87 . . . . 0.0 118.749 163.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.57 44.33 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 121.573 -0.704 . . . . 0.0 110.958 178.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.261 85.4 p -71.37 -6.29 38.99 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.2 -2.188 . . . . 0.0 115.276 172.311 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' B' ' 17' ' ' ILE . 2.7 mm -68.83 -55.98 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 118.93 -2.356 . . . . 0.0 107.641 167.233 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.58 -26.52 61.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 176.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -84.23 -25.92 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.472 -0.767 . . . . 0.0 111.838 174.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -43.27 76.36 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 118.938 -2.351 . . . . 0.0 113.596 163.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -83.66 -27.26 29.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 86.34 50.97 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.336 2.254 . . . . 0.0 110.115 -169.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -129.77 40.95 3.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.091 1.756 . . . . 0.0 107.15 177.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -76.51 -5.17 46.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.706 2.003 . . . . 0.0 113.307 177.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.49 -57.81 9.36 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 131.14 3.776 . . . . 0.0 111.591 164.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 26' ' ' ILE . 17.1 mt -47.09 -51.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 128.097 2.559 . . . . 0.0 114.913 166.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 t -57.45 -50.89 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 126.252 1.821 . . . . 0.0 111.948 -179.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' TYR 0.331 0.0 OUTLIER -38.06 -25.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 122.466 4.247 . . . . 0.0 122.466 175.454 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -119.42 133.63 55.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.15 -1.593 . . . . 0.0 111.278 172.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 ttp85 -51.54 -50.83 59.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.504 2.721 . . . . 0.0 112.239 173.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.71 73.48 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -175.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -62.23 -38.71 90.23 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.106 1.362 . . . . 0.0 111.672 171.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -59.83 -55.16 37.71 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.552 1.941 . . . . 0.0 111.035 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -53.31 -45.06 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.42 2.688 . . . . 0.0 115.258 172.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -43.41 98.9 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.864 -1.773 . . . . 0.0 114.086 173.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -58.7 -31.49 68.3 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.482 1.913 . . . . 0.0 112.884 169.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.59 -50.93 63.29 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.821 -1.174 . . . . 0.0 111.743 171.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.14 -42.25 76.63 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 173.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.57 -62.76 1.45 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.051 1.741 . . . . 0.0 113.737 167.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 17' ' ' ILE 0.292 16.3 pt -68.6 -32.68 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-O 122.754 1.264 . . . . 0.0 113.38 -172.308 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 20.56 12.7 Favored Glycine 0 N--CA 1.429 -1.782 0 C-N-CA 127.596 2.522 . . . . 0.0 114.512 170.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.76 97.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 123.904 1.812 . . . . 0.0 113.766 169.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -56.93 164.88 1.41 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 161.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' HE1' ' O ' ' A' ' 3' ' ' LYS 0.379 27.7 t60 -93.71 -120.34 0.09 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 111.772 -2.467 . . . . 0.0 112.333 144.859 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 130.699 3.599 . . . . 0.0 120.612 169.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.8 12.89 55.29 Favored Glycine 0 N--CA 1.43 -1.76 1 C-N-CA 131.377 4.322 . . . . 0.0 113.556 -166.498 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -97.14 143.57 27.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.767 -2.216 . . . . 0.0 115.103 170.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -66.25 125.5 25.78 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.754 0.822 . . . . 0.0 112.284 -172.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 119.3 19.93 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -160.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -86.78 158.79 19.31 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.834 2.054 . . . . 0.0 112.388 -172.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.45 -48.4 70.07 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.993 -1.692 . . . . 0.0 114.68 -178.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.62 -60.3 4.02 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.05 -1.656 . . . . 0.0 115.423 168.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -64.38 -16.15 61.77 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -55.26 -60.64 3.12 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 117.642 -3.161 . . . . 0.0 114.125 154.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -57.38 -21.9 39.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -69.07 -56.05 8.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 114.29 162.651 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.337 35.5 pt -47.48 -46.84 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 178.668 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.03 -42.34 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 m -74.92 -68.96 0.5 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -177.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.305 5.9 pt-20 -49.61 11.06 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 121.037 3.718 . . . . 0.0 121.037 -178.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 HD22 ' A' ' 4' ' ' ASN . 87.7 mt -60.32 131.37 50.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.423 1.489 . . . . 0.0 111.788 172.182 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 p -74.92 160.06 31.07 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 122.32 1.057 . . . . 0.0 111.317 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -45.82 -44.09 13.9 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.654 1.582 . . . . 0.0 113.615 167.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.78 -45.86 90.69 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.973 1.709 . . . . 0.0 115.194 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -58.49 -41.08 84.54 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 123.515 0.726 . . . . 0.0 111.618 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -78.74 -39.82 35.13 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.263 1.825 . . . . 0.0 110.96 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -43.28 63.67 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 124.618 1.167 . . . . 0.0 110.581 165.229 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -65.95 -33.07 74.99 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.21 -31.33 65.77 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.78 -53.41 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 126.297 1.839 . . . . 0.0 111.635 178.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -59.56 -44.07 93.38 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.383 -2.073 . . . . 0.0 112.909 176.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.73 -45.42 61.82 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.294 -1.321 . . . . 0.0 112.131 -176.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.52 43.26 2.67 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.003 -2.311 . . . . 0.0 116.901 -177.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -27.28 -61.81 0.09 Allowed 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 123.544 4.646 . . . . 0.0 123.544 -176.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.73 -32.05 41.13 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 118.632 -2.542 . . . . 0.0 110.213 -170.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -83.04 -44.29 7.16 Favored Glycine 0 N--CA 1.43 -1.74 0 N-CA-C 106.031 -2.828 . . . . 0.0 106.031 -162.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.27 39.0 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 -172.171 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -54.93 -46.75 74.98 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 169.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.4 -59.24 4.25 Favored Glycine 0 N--CA 1.43 -1.747 1 C-N-CA 113.877 -4.011 . . . . 0.0 115.08 178.273 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 76' ' ' GLY 0.313 3.5 m -57.35 -21.05 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 174.054 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -72.12 -28.05 63.02 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 122.437 2.381 . . . . 0.0 113.847 170.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -64.46 -39.76 94.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 115.905 -2.318 . . . . 0.0 110.992 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.92 -19.64 61.23 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -93.88 -6.32 45.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.456 -2.653 . . . . 0.0 109.256 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.16 -75.08 0.37 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.735 166.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . 0.327 14.7 ptp -48.02 -41.39 25.49 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -165.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 6.6 m-85 -74.79 -5.44 43.46 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 173.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.306 8.9 t -147.79 57.72 1.1 Allowed 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 121.173 1.806 . . . . 0.0 111.364 175.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -109.42 122.5 47.53 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.93 1.692 . . . . 0.0 106.52 165.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt . . . . . 0 N--CA 1.43 -1.442 0 C-N-CA 124.247 1.019 . . . . 0.0 109.193 -179.917 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 p30 . . . . . 0 N--CA 1.43 -1.463 0 CA-C-O 120.904 0.383 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.476 ' O ' ' HE1' ' B' ' 44' ' ' HIS . 88.6 mttt -111.24 -125.89 0.27 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.427 -2.046 . . . . 0.0 109.565 -169.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -68.51 -48.26 64.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.708 -1.87 . . . . 0.0 113.717 -175.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 tt -59.26 -49.47 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.386 1.874 . . . . 0.0 114.846 -177.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.15 -45.96 92.5 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.2 m -59.79 -42.14 92.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.671 -1.893 . . . . 0.0 114.826 168.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 t -57.02 -40.26 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 119.996 -1.69 . . . . 0.0 111.375 173.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -62.77 -47.28 84.17 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 129.876 3.27 . . . . 0.0 115.42 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.18 -33.62 73.67 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 123.152 1.453 . . . . 0.0 111.541 177.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.255 61.0 mt -69.71 -41.42 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 113.578 175.24 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.7 mt -48.37 -53.12 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 127.134 2.173 . . . . 0.0 114.582 168.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -65.64 -33.95 77.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.575 1.55 . . . . 0.0 112.963 -177.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 17' ' ' ILE . 5.2 t -61.91 -51.3 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.4 1.88 . . . . 0.0 113.948 164.449 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.12 95.81 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 117.556 -3.215 . . . . 0.0 115.898 176.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.347 20.6 p -55.22 -22.44 17.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 168.169 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.695 HG21 HG21 ' A' ' 17' ' ' ILE . 8.8 mm -60.04 -53.54 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 CA-C-N 120.254 1.388 . . . . 0.0 112.239 163.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.28 -49.96 75.31 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.321 -1.487 . . . . 0.0 113.179 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -53.7 -38.14 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 119.958 -1.714 . . . . 0.0 115.231 168.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.311 0.0 OUTLIER -54.27 -45.81 72.52 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.598 1.559 . . . . 0.0 112.864 170.729 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -85.12 7.74 20.59 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.688 1.995 . . . . 0.0 115.67 174.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t 62.93 37.22 12.13 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.925 -1.734 . . . . 0.0 114.545 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -112.63 56.69 0.67 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.208 1.403 . . . . 0.0 109.385 174.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.371 0.0 OUTLIER -73.0 -20.5 61.0 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.704 -1.247 . . . . 0.0 113.8 171.027 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -49.19 -38.07 24.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.627 2.371 . . . . 0.0 113.145 165.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mt -76.84 -30.32 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 111.889 -3.924 . . . . 0.0 112.364 177.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.36 -28.23 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.287 -167.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 7.2 pt-20 -69.65 1.94 3.71 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -171.317 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -134.55 135.63 42.44 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.173 -1.58 . . . . 0.0 106.954 177.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -71.38 -48.15 51.82 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.481 -2.012 . . . . 0.0 113.267 -177.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.45 33.0 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.447 -3.283 . . . . 0.0 119.69 175.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.82 -25.05 18.3 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 121.991 0.901 . . . . 0.0 110.938 169.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -70.28 -55.15 9.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.557 1.143 . . . . 0.0 108.799 173.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' B' ' 51' ' ' GLN . 13.4 mt -50.26 -50.32 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.477 2.711 . . . . 0.0 114.628 169.439 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.04 19.9 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 171.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.419 ' HA ' ' HB2' ' B' ' 39' ' ' GLU . 1.1 t80 -85.35 -24.82 27.45 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 123.984 0.914 . . . . 0.0 113.12 172.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.9 -38.17 67.0 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.956 -2.34 . . . . 0.0 110.015 176.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.27 -58.45 8.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.9 1.28 . . . . 0.0 112.041 168.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 36' ' ' PHE . 21.4 mm-40 -36.35 -47.07 0.58 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 pt -96.77 -33.13 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.268 -1.52 . . . . 0.0 111.507 -175.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 57.35 1.22 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -172.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -97.55 118.36 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 160.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.5 p -125.39 158.94 33.05 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.039 2.135 . . . . 0.0 114.596 -171.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' B' ' 3' ' ' LYS . 7.3 t60 -82.2 -92.19 0.06 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.471 -177.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' CD2' ' B' ' 44' ' ' HIS . 7.6 mp0 -92.14 46.13 1.25 Allowed 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 117.32 -1.752 . . . . 0.0 108.382 -166.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.96 6.42 87.31 Favored Glycine 0 N--CA 1.43 -1.739 0 C-N-CA 127.509 2.481 . . . . 0.0 114.304 -167.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -125.28 154.75 41.24 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 120.259 2.03 . . . . 0.0 108.832 -165.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.12 134.35 53.57 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.548 -1.345 . . . . 0.0 110.792 -168.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 144.08 26.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -153.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -100.27 161.99 13.25 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -173.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' B' ' 34' ' ' ILE . 67.2 mt-30 -72.66 -49.67 30.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.103 1.32 . . . . 0.0 112.799 173.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.7 -66.76 0.33 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.049 -1.657 . . . . 0.0 114.494 169.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -18.11 0.13 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.809 2.522 . . . . 0.0 117.809 168.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.413 ' CZ ' HG11 ' B' ' 58' ' ' VAL . 68.1 t80 -82.85 -32.1 27.66 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 117.573 -3.204 . . . . 0.0 110.84 174.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -79.92 -18.02 51.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 115.427 1.639 . . . . 0.0 115.427 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -53.3 15.56 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.734 -1.229 . . . . 0.0 111.927 163.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.264 10.1 pt -54.66 -46.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.413 HG11 ' CZ ' ' B' ' 54' ' ' PHE . 26.8 m -75.44 -31.77 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -172.088 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -77.5 -71.02 0.44 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 175.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -47.32 -6.39 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 -173.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 mt -40.12 136.08 1.25 Allowed 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.23 -2.169 . . . . 0.0 114.872 165.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . 0.262 23.4 p -82.4 177.86 8.53 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 122.915 1.34 . . . . 0.0 109.298 -178.282 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.6 -20.89 65.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.475 -2.016 . . . . 0.0 110.35 167.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.43 -49.33 9.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.039 -2.288 . . . . 0.0 108.373 -173.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -44.22 -43.86 7.48 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.533 2.79 . . . . 0.0 118.533 166.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -83.95 -30.42 26.29 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 118.361 -2.712 . . . . 0.0 106.627 -174.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -31.32 68.08 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 119.455 -2.028 . . . . 0.0 109.251 176.237 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -60.43 -37.98 82.62 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 163.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 mt -85.36 -4.52 59.18 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.479 -1.388 . . . . 0.0 111.382 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.44 -23.22 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 121.187 -0.946 . . . . 0.0 108.455 173.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.33 -57.11 3.51 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 118.971 -2.331 . . . . 0.0 106.848 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.63 -22.2 57.04 Favored 'General case' 0 N--CA 1.429 -1.475 1 N-CA-C 125.112 5.227 . . . . 0.0 125.112 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.15 54.55 1.43 Allowed 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 121.253 1.842 . . . . 0.0 107.703 -170.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -44.87 -68.59 0.19 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.484 2.313 . . . . 0.0 116.49 -166.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.58 -53.5 11.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.515 1.526 . . . . 0.0 109.702 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.82 -68.22 0.8 Allowed Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 127.174 2.321 . . . . 0.0 115.344 178.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . 0.346 1.1 t80 -64.39 -53.8 42.79 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.21 -178.044 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -38.33 -44.33 0.89 Allowed 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.48 3.53 Favored Glycine 0 N--CA 1.429 -1.773 0 CA-C-O 122.367 0.982 . . . . 0.0 113.214 174.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.66 -19.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.181 -2.364 . . . . 0.0 113.912 -174.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -83.19 -19.6 36.23 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 127.242 2.217 . . . . 0.0 115.617 174.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.94 -33.44 73.73 Favored 'General case' 0 N--CA 1.429 -1.481 1 C-N-CA 108.617 -5.233 . . . . 0.0 116.614 154.217 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.43 -56.44 7.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 125.757 1.911 . . . . 0.0 107.589 -171.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . 0.324 82.7 mt -67.58 -23.35 65.38 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 117.064 -3.522 . . . . 0.0 115.239 177.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.98 -49.86 14.5 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 116.98 -1.888 . . . . 0.0 110.407 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . 0.28 4.8 ptp -54.68 -19.64 6.59 Favored 'General case' 0 N--CA 1.431 -1.412 1 N-CA-C 124.236 4.902 . . . . 0.0 124.236 165.492 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 16.1 m-85 -95.79 0.07 51.89 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 120.276 -1.515 . . . . 0.0 110.021 -176.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . 0.335 5.0 t -152.52 39.56 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 123.269 1.509 . . . . 0.0 112.164 174.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -84.0 132.11 34.77 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 119.631 -1.918 . . . . 0.0 108.161 145.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -179.197 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 50.9 mttp -103.65 172.73 6.64 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.334 -170.133 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -64.75 -50.88 65.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.226 -2.171 . . . . 0.0 111.592 -177.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -48.75 -47.37 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 C-N-CA 126.307 1.843 . . . . 0.0 115.961 170.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.34 -54.56 44.08 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.716 1.606 . . . . 0.0 112.368 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 83.9 m -67.29 -29.92 69.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.665 -1.272 . . . . 0.0 114.16 175.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 t -61.81 -46.02 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.888 -2.382 . . . . 0.0 111.896 171.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -51.36 -54.59 24.93 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 128.373 2.669 . . . . 0.0 112.821 178.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -72.03 -19.16 61.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.736 -1.853 . . . . 0.0 115.148 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' CG1' HG11 ' A' ' 42' ' ' VAL . 50.6 mt -80.19 -37.23 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 O-C-N 119.693 -1.879 . . . . 0.0 110.13 173.085 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mt -52.14 -42.14 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 127.401 2.281 . . . . 0.0 114.96 171.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.421 HG21 HG22 ' B' ' 42' ' ' VAL . 2.5 p -68.08 -54.0 21.4 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 120.815 -1.178 . . . . 0.0 110.026 -179.414 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 t -49.79 -45.98 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.665 1.986 . . . . 0.0 115.886 169.387 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.63 91.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.77 -1.831 . . . . 0.0 111.503 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -20.74 66.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 172.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' B' ' 17' ' ' ILE . 2.9 mm -67.66 -46.74 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.187 1.795 . . . . 0.0 110.47 174.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 mp -60.64 -34.99 75.1 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.075 0.95 . . . . 0.0 112.032 176.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.3 mt -73.02 -27.0 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.683 -1.261 . . . . 0.0 112.96 176.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.184 1.393 . . . . 0.0 111.695 169.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -95.99 8.57 43.34 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.95 -1.719 . . . . 0.0 114.825 177.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t 74.6 9.34 4.26 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -93.38 43.81 1.12 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.541 1.936 . . . . 0.0 113.104 -176.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.367 0.0 OUTLIER -63.55 -21.25 66.23 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 177.063 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.18 -40.7 7.45 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 168.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.73 -42.19 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 126.147 1.779 . . . . 0.0 110.48 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.25 -37.87 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 124.318 1.047 . . . . 0.0 111.633 175.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -70.33 -20.52 62.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.939 2.496 . . . . 0.0 114.492 -175.172 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -110.43 105.58 14.61 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.13 1.372 . . . . 0.0 107.651 -179.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -42.2 -56.07 3.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.688 3.195 . . . . 0.0 114.079 177.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.4 -51.43 44.07 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -178.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.03 -34.31 20.95 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.675 1.59 . . . . 0.0 113.384 170.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.68 -51.6 66.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 170.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 128.834 2.853 . . . . 0.0 114.008 175.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.0 86.53 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 125.786 1.634 . . . . 0.0 113.665 169.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 3.7 t80 -69.35 -39.55 78.07 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.364 1.466 . . . . 0.0 110.72 176.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.44 -49.03 73.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.085 1.354 . . . . 0.0 113.146 171.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -71.28 -31.68 67.78 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.711 -1.868 . . . . 0.0 114.512 176.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.72 -56.61 15.84 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 167.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 HD12 ' B' ' 17' ' ' ILE 0.258 0.2 OUTLIER -84.21 -15.91 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 120.66 -1.275 . . . . 0.0 113.534 -175.117 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.11 42.73 4.89 Favored Glycine 0 N--CA 1.431 -1.67 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 11' ' ' ILE . 18.9 t -83.87 108.42 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 164.046 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.0 p -119.13 126.95 52.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -169.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.435 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 6.3 t60 -67.59 -71.1 0.22 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.485 -2.01 . . . . 0.0 114.422 -171.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.96 41.74 1.3 Allowed 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.337 -1.477 . . . . 0.0 109.682 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.96 23.35 63.54 Favored Glycine 0 N--CA 1.429 -1.79 0 N-CA-C 117.017 1.567 . . . . 0.0 117.017 -170.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -121.76 179.0 4.63 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 119.356 1.578 . . . . 0.0 107.152 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.52 138.35 48.83 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.375 -1.453 . . . . 0.0 111.889 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.67 121.15 40.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.832 1.301 . . . . 0.0 108.871 -167.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.67 168.5 10.63 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.514 1.125 . . . . 0.0 110.782 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -74.47 -40.06 62.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.496 -1.377 . . . . 0.0 111.901 179.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -67.93 -52.37 36.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.224 -0.922 . . . . 0.0 111.885 171.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.5 m -67.61 -15.09 63.47 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.92 -50.48 49.01 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.749 1.738 . . . . 0.0 110.06 170.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -64.54 -30.42 71.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.758 -1.839 . . . . 0.0 112.497 -176.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -65.95 -28.92 69.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 118.44 2.755 . . . . 0.0 118.44 167.116 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.355 22.3 pt -67.21 -53.55 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 O-C-N 119.78 -1.825 . . . . 0.0 112.225 172.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.58 -40.48 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -173.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -75.41 -44.59 43.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -93.21 11.54 27.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 -164.29 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.65 140.95 10.38 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.832 -1.168 . . . . 0.0 113.923 171.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.0 p -86.88 178.51 6.95 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.593 1.557 . . . . 0.0 109.285 -176.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.24 -46.89 81.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.524 -1.985 . . . . 0.0 111.144 169.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 2.4 mp0 -46.26 -40.11 11.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 118.613 2.82 . . . . 0.0 118.613 170.292 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.34 -37.79 71.69 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.284 -1.51 . . . . 0.0 113.302 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.77 -28.15 30.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.88 -1.138 . . . . 0.0 111.616 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -44.75 95.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.007 2.123 . . . . 0.0 109.536 171.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.8 m -56.55 -39.49 73.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.796 1.238 . . . . 0.0 114.316 172.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.1 -37.87 64.03 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.018 -1.676 . . . . 0.0 113.784 174.409 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.44 -38.42 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.472 1.909 . . . . 0.0 113.518 174.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.2 -48.17 82.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.286 -1.509 . . . . 0.0 115.055 172.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -94.99 -20.12 19.63 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -166.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -134.05 64.42 1.6 Allowed 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.398 -2.064 . . . . 0.0 107.109 -170.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -55.27 -71.89 0.08 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.603 1.561 . . . . 0.0 114.868 -163.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.09 -42.63 75.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.375 -1.453 . . . . 0.0 112.993 176.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -66.48 -43.86 91.46 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 124.773 1.177 . . . . 0.0 114.341 -168.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . 0.36 0.1 OUTLIER -76.32 -43.52 40.89 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.818 177.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -49.0 -47.91 43.92 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 122.223 2.283 . . . . 0.0 115.854 -178.013 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.56 -59.66 6.99 Favored Glycine 0 N--CA 1.43 -1.732 0 N-CA-C 114.386 0.515 . . . . 0.0 114.386 174.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 76' ' ' GLY . 14.6 m -66.77 -26.91 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 119.888 -1.948 . . . . 0.0 113.438 -172.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -68.11 -42.53 80.1 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.453 -1.404 . . . . 0.0 113.695 177.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -46.86 -45.24 20.18 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 121.194 1.816 . . . . 0.0 115.423 166.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.18 -54.63 30.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.514 1.526 . . . . 0.0 107.945 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.83 -30.86 64.18 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 174.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -71.37 -65.6 0.73 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.267 1.394 . . . . 0.0 111.634 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.9 ptp -54.58 -28.3 45.1 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -175.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 15.7 m-85 -80.9 -4.72 55.85 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 124.333 1.053 . . . . 0.0 113.068 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.95 84.77 1.85 Allowed 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.605 1.193 . . . . 0.0 109.234 173.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -120.28 102.53 8.55 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 156.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.44 0 C-N-CA 123.035 0.534 . . . . 0.0 109.643 164.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 122.497 1.142 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -113.33 168.43 9.74 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.565 1.146 . . . . 0.0 108.061 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.48 -47.05 80.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.634 -1.291 . . . . 0.0 112.651 -171.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -61.29 -41.44 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 127.351 2.26 . . . . 0.0 112.09 -176.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.13 -31.07 69.5 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 123.968 0.907 . . . . 0.0 111.764 -177.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -38.89 92.0 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.379 -1.45 . . . . 0.0 112.827 169.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.2 -35.62 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 O-C-N 120.307 -1.496 . . . . 0.0 109.401 179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -45.75 62.75 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 128.995 2.918 . . . . 0.0 114.586 -171.738 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -64.09 -37.28 86.87 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.671 -1.268 . . . . 0.0 113.875 168.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mt -76.8 -24.54 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.269 -2.77 . . . . 0.0 114.119 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.89 -49.63 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.18 -2.2 . . . . 0.0 112.019 173.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.6 p -67.18 -33.26 75.01 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.182 1.793 . . . . 0.0 113.265 178.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 17' ' ' ILE . 7.2 t -63.34 -47.54 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 124.822 1.249 . . . . 0.0 113.934 167.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.35 -33.05 49.3 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.838 -2.414 . . . . 0.0 113.931 -176.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.55 ' HB3' HG11 ' B' ' 80' ' ' VAL . 89.9 p -66.76 -22.54 66.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.92 -1.737 . . . . 0.0 114.428 168.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.785 HG21 HG21 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.47 -50.54 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-N 120.058 1.299 . . . . 0.0 113.301 156.402 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.405 ' CD1' HG22 ' B' ' 17' ' ' ILE . 2.4 mp -59.42 -42.25 91.41 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 120.313 -1.492 . . . . 0.0 112.871 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.401 HD12 HG12 ' B' ' 80' ' ' VAL . 22.5 mt -66.03 -36.34 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 120.444 -1.41 . . . . 0.0 113.999 171.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -54.45 -44.52 72.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.949 -1.72 . . . . 0.0 112.825 169.606 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' B' ' 17' ' ' ILE . 22.8 m-85 -85.77 11.56 10.84 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.625 1.57 . . . . 0.0 114.272 176.355 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 54.16 41.22 32.11 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.161 2.584 . . . . 0.0 115.778 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -111.21 52.78 0.73 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.418 1.487 . . . . 0.0 110.481 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER -75.42 -13.16 60.37 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.24 -25.38 67.03 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.592 -1.317 . . . . 0.0 113.604 166.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.9 -50.34 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 O-C-N 119.861 -1.775 . . . . 0.0 110.08 169.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.51 -37.6 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.434 1.493 . . . . 0.0 114.166 -174.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' B' ' 87' ' ' TYR . 30.9 tt0 -53.43 -23.73 10.74 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 173.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -112.24 109.61 19.39 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.985 -1.697 . . . . 0.0 110.568 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -36.81 -61.45 0.54 Allowed 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 129.473 3.109 . . . . 0.0 113.939 169.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.83 91.44 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.776 -1.827 . . . . 0.0 115.632 -177.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -61.17 -31.6 71.34 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 119.923 1.238 . . . . 0.0 113.156 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.52 -52.01 55.74 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.666 1.586 . . . . 0.0 112.675 174.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.8 -38.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 129.767 3.227 . . . . 0.0 114.18 170.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.75 72.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.458 1.123 . . . . 0.0 108.566 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . 0.333 1.7 t80 -60.85 -33.03 72.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 171.079 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.75 -33.8 76.47 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 118.164 -2.835 . . . . 0.0 114.327 172.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -72.5 -27.37 62.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.516 -1.365 . . . . 0.0 113.08 171.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.2 -58.09 4.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.823 1.249 . . . . 0.0 113.299 176.205 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.483 HD11 HG23 ' B' ' 42' ' ' VAL . 0.1 OUTLIER -83.27 -19.13 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.889 -1.757 . . . . 0.0 111.927 -171.71 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.13 32.47 7.06 Favored Glycine 0 N--CA 1.429 -1.795 0 O-C-N 120.56 -1.337 . . . . 0.0 115.36 172.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 HD11 ' B' ' 40' ' ' ILE . 60.6 t -70.88 101.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 123.163 1.459 . . . . 0.0 110.072 166.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -115.39 120.61 40.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.356 1.862 . . . . 0.0 108.353 -173.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -66.32 -78.47 0.05 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -172.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -95.15 39.1 1.12 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.471 -2.018 . . . . 0.0 110.284 175.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 17.05 78.48 Favored Glycine 0 N--CA 1.43 -1.744 0 O-C-N 120.399 -1.438 . . . . 0.0 114.659 -168.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -119.68 156.61 30.15 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.644 -1.504 . . . . 0.0 109.697 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -62.38 131.65 49.97 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.68 1.592 . . . . 0.0 113.129 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 120.61 24.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.578 1.656 . . . . 0.0 112.815 -175.232 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -94.5 163.65 13.31 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.067 1.747 . . . . 0.0 112.137 -176.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.59 -34.37 69.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -77.28 -33.88 55.71 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.398 -1.439 . . . . 0.0 111.601 175.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.0 m -74.21 -30.96 62.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 124.979 1.312 . . . . 0.0 112.922 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -58.35 -48.87 79.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 123.793 1.759 . . . . 0.0 112.417 168.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 -66.37 -33.64 76.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.656 -1.277 . . . . 0.0 112.904 -177.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -65.7 -49.33 68.93 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.243 -1.535 . . . . 0.0 113.974 168.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . 0.322 33.6 pt -53.34 -45.18 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 120.326 1.421 . . . . 0.0 114.444 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.6 -42.85 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -87.59 -43.91 11.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -174.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.04 7.83 4.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.476 1.943 . . . . 0.0 115.25 -169.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.54 144.61 30.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.056 1.342 . . . . 0.0 113.01 176.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.1 p -86.18 170.1 12.46 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.3 -39.11 85.79 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.203 -1.561 . . . . 0.0 112.591 172.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.07 -39.18 88.89 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 173.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.35 -44.4 96.58 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 120.262 -1.524 . . . . 0.0 112.541 174.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -76.01 -39.93 54.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 124.774 1.229 . . . . 0.0 111.02 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.13 67.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 113.174 163.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 74.8 m -64.91 -40.17 94.67 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.465 -0.772 . . . . 0.0 111.737 -178.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.3 -48.72 72.15 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.977 -1.077 . . . . 0.0 113.42 172.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.22 -48.15 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 126.151 1.78 . . . . 0.0 114.129 171.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.87 -34.25 76.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -100.61 -41.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -175.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -102.3 56.23 0.79 Allowed 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 119.466 -2.021 . . . . 0.0 112.058 -171.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -41.03 -72.65 0.06 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -173.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.84 -62.61 1.39 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.674 -1.266 . . . . 0.0 113.874 -170.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -48.98 -55.74 11.18 Favored Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 174.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 120.612 2.206 . . . . 0.0 110.67 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -55.2 -57.73 10.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 121.088 1.767 . . . . 0.0 111.53 169.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.66 -68.75 1.53 Allowed Glycine 0 N--CA 1.43 -1.726 0 O-C-N 121.68 -0.637 . . . . 0.0 114.08 175.198 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.55 HG11 ' HB3' ' B' ' 16' ' ' SER . 5.5 m -63.2 -25.08 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 O-C-N 120.082 -1.834 . . . . 0.0 115.883 -171.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.74 -20.92 59.63 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 173.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -60.5 -45.76 92.59 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.287 -2.133 . . . . 0.0 112.6 164.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.89 -61.8 1.76 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.101 2.16 . . . . 0.0 109.411 -173.409 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.8 mt -52.77 -33.35 48.11 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.224 2.21 . . . . 0.0 115.337 178.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.29 -44.6 44.82 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 121.69 -0.631 . . . . 0.0 111.507 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 86' ' ' MET . . . . . . . . . . . . . 18.4 ptp -69.69 -39.07 77.16 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -171.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' B' ' 28' ' ' GLU . 15.5 m-85 -74.65 -5.52 43.54 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.507 1.523 . . . . 0.0 113.604 -176.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -142.81 33.81 1.4 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.312 -1.492 . . . . 0.0 111.064 175.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -86.29 103.26 14.72 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.044 -1.66 . . . . 0.0 109.404 163.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm . . . . . 0 N--CA 1.43 -1.457 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.904 . . . . . . . . 0 0 . 1 stop_ save_