data_1tl6_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 1tl6 _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 ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt . . . . . 0 N--CA 1.43 -1.445 0 CA-C-O 124.065 1.888 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.48 -18.01 37.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 114.662 -1.154 . . . . 0.0 107.976 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.58 -52.14 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.569 1.548 . . . . 0.0 110.145 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 -59.45 2.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 130.82 3.648 . . . . 0.0 112.756 167.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -49.63 -62.28 1.64 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.13 -41.31 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.455 1.902 . . . . 0.0 114.478 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -65.31 -31.34 72.43 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.171 2.259 . . . . 0.0 112.013 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.112 1.365 . . . . 0.0 113.304 172.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.43 -61.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.854 -1.154 . . . . 0.0 112.074 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.33 -47.2 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.144 1.378 . . . . 0.0 114.189 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -67.87 -40.06 83.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.139 -1.6 . . . . 0.0 113.082 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.62 -35.97 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.804 -1.185 . . . . 0.0 110.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.32 -54.67 42.7 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -51.89 -50.25 61.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.16 2.184 . . . . 0.0 113.271 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.45 -42.25 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.558 1.072 . . . . 0.0 113.185 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -22.74 49.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.635 -1.291 . . . . 0.0 113.19 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.435 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.298 13.0 pt -85.67 -57.39 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 118.611 -2.555 . . . . 0.0 115.147 169.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.255 1.7 tmtp? -29.6 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.876 3.27 . . . . 0.0 116.057 -174.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.32 18.3 22.09 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 125.227 3.649 . . . . 0.0 111.893 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -125.2 -76.87 0.59 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -171.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt85 -140.77 91.35 2.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.392 -1.442 . . . . 0.0 112.024 -160.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.43 -31.49 18.79 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.321 -1.487 . . . . 0.0 113.013 -172.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.86 -13.84 2.96 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 129.104 2.961 . . . . 0.0 116.845 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.0 pt -96.15 -21.99 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 126.311 1.844 . . . . 0.0 112.537 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -23.55 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.168 1.387 . . . . 0.0 111.798 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -49.76 -58.95 4.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.713 2.805 . . . . 0.0 115.558 165.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.78 89.37 2.99 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.988 1.715 . . . . 0.0 107.096 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.01 -5.32 16.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -157.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.01 55.66 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 120.065 1.302 . . . . 0.0 111.41 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -66.35 -45.22 80.94 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.83 1.252 . . . . 0.0 110.63 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.03 -51.79 22.7 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.518 1.527 . . . . 0.0 114.728 167.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.9 -53.26 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.973 1.709 . . . . 0.0 110.802 -173.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.88 -13.14 60.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.08 -25.2 25.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.769 2.077 . . . . 0.0 110.825 166.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -33.05 51.79 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.279 -1.513 . . . . 0.0 111.989 175.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -72.44 -39.48 67.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.66 -2.525 . . . . 0.0 113.216 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -33.6 -43.53 0.13 Allowed 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.144 2.978 . . . . 0.0 117.219 163.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.18 -37.52 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.706 2.402 . . . . 0.0 115.822 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.42 23.46 5.71 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 120.24 -1.538 . . . . 0.0 112.649 -164.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -83.33 109.73 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -117.31 155.87 28.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 121.652 2.024 . . . . 0.0 112.54 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -128.01 -125.48 0.22 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.471 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -86.36 66.2 9.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.64 -166.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.53 -11.2 19.68 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.597 1.57 . . . . 0.0 114.923 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.67 174.73 10.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.082 1.353 . . . . 0.0 110.807 -159.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -79.47 171.26 15.4 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.77 -1.206 . . . . 0.0 111.105 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -81.22 132.35 35.34 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.863 -1.773 . . . . 0.0 112.893 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -108.01 139.11 43.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.444 1.498 . . . . 0.0 108.465 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -70.65 -18.65 62.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.681 -1.887 . . . . 0.0 113.452 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -63.75 -28.33 69.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.416 2.286 . . . . 0.0 113.594 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m -78.81 7.45 7.05 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.74 -28.76 57.56 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.986 -2.321 . . . . 0.0 115.423 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -60.67 -43.71 97.36 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.793 -1.817 . . . . 0.0 113.282 168.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.07 -13.82 62.66 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.226 3.011 . . . . 0.0 115.416 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -82.29 -69.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.122 -0.986 . . . . 0.0 109.037 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.49 -27.71 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.763 -1.21 . . . . 0.0 114.23 -159.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -72.73 -37.52 67.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.193 -0.942 . . . . 0.0 111.353 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -4.23 44.94 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.935 2.494 . . . . 0.0 116.825 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.01 157.56 19.42 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.362 -1.461 . . . . 0.0 108.433 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -114.6 -177.07 3.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.37 -36.04 71.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.738 -1.851 . . . . 0.0 110.914 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -50.65 -47.66 58.49 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 125.783 2.706 . . . . 0.0 112.91 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.28 -38.3 68.82 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.725 2.81 . . . . 0.0 113.105 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -52.9 -50.66 63.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.002 -1.061 . . . . 0.0 112.247 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -62.91 -55.98 21.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.879 1.672 . . . . 0.0 110.557 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.9 m -38.97 -53.21 1.77 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 131.659 3.984 . . . . 0.0 115.959 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -45.54 83.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 124.499 2.095 . . . . 0.0 112.014 -174.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.88 -58.59 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 110.878 -2.874 . . . . 0.0 109.851 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -43.83 81.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -176.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -71.58 -45.69 61.48 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.301 -1.499 . . . . 0.0 113.432 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.88 63.38 0.92 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 110.423 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.32 -29.16 66.93 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.796 -1.19 . . . . 0.0 112.288 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -54.99 -45.31 75.03 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.15 1.78 . . . . 0.0 112.749 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.34 -31.27 57.32 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 124.362 0.982 . . . . 0.0 114.234 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.15 -55.89 14.12 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 118.196 0.998 . . . . 0.0 111.231 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.86 -41.94 83.46 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 113.112 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.36 -57.7 7.07 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.066 1.317 . . . . 0.0 114.907 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.62 -30.44 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 119.18 1.49 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -62.23 -38.14 88.06 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.203 -1.561 . . . . 0.0 112.474 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -66.95 -41.83 86.26 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.391 -1.443 . . . . 0.0 113.375 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.435 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.8 t80 -59.81 -47.23 86.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.712 1.205 . . . . 0.0 111.191 172.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.76 -52.86 54.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.884 2.074 . . . . 0.0 115.515 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.33 -30.86 66.7 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.552 -1.343 . . . . 0.0 113.568 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.9 ttm -89.04 -42.73 11.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -87.12 -74.15 0.45 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.553 -1.342 . . . . 0.0 111.532 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.429 0 C-N-CA 118.393 -1.323 . . . . 0.0 109.758 -167.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -71.66 -16.01 62.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.629 -1.919 . . . . 0.0 113.47 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.08 -57.35 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 126.16 1.784 . . . . 0.0 109.872 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -54.02 -43.92 70.53 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 125.925 1.69 . . . . 0.0 112.465 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -53.59 -64.86 0.69 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.156 1.382 . . . . 0.0 111.861 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -81.16 -28.65 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 121.797 2.09 . . . . 0.0 112.584 -171.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -72.16 -12.34 61.14 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.668 -1.895 . . . . 0.0 113.386 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -76.33 -48.49 19.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.873 162.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -47.44 -46.73 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 121.81 2.095 . . . . 0.0 114.8 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -53.99 -56.35 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.898 2.079 . . . . 0.0 111.294 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 m -64.27 -58.78 5.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.57 -1.956 . . . . 0.0 114.618 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.271 6.6 m -50.16 -35.13 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 175.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.68 -32.63 64.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.104 -2.248 . . . . 0.0 114.332 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 p -73.93 -39.67 63.62 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 123.719 0.807 . . . . 0.0 112.194 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.91 -44.81 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.602 1.561 . . . . 0.0 112.772 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -54.17 14.29 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.412 -1.43 . . . . 0.0 111.072 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.344 17.1 pt -67.54 -41.72 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 -168.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 6.7 mtpt -51.03 -63.68 1.05 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -154.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -115.8 68.53 0.72 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.076 0.95 . . . . 0.0 111.752 165.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -153.04 -94.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.186 -1.571 . . . . 0.0 112.28 167.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -119.83 125.38 48.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.215 1.806 . . . . 0.0 113.633 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -92.54 -27.12 17.58 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 127.822 2.449 . . . . 0.0 111.798 168.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -46.45 -49.85 17.64 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.641 1.976 . . . . 0.0 115.791 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -47.55 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.892 -1.13 . . . . 0.0 113.983 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.261 3.6 p -66.94 -16.52 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.24 -36.74 82.28 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.445 -2.035 . . . . 0.0 112.471 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -108.14 102.9 12.02 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.393 -1.442 . . . . 0.0 109.314 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -50.41 -51.07 49.64 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -162.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.47 -44.87 3.04 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.656 3.182 . . . . 0.0 114.402 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -36.83 76.96 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 124.111 1.91 . . . . 0.0 110.456 -177.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -75.3 -36.74 61.1 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.953 -1.717 . . . . 0.0 110.766 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -51.86 -42.73 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.574 1.549 . . . . 0.0 113.095 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.98 86.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 131.05 3.74 . . . . 0.0 112.962 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.73 -51.72 68.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 131.356 3.862 . . . . 0.0 114.359 160.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.95 -49.55 77.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.112 3.142 . . . . 0.0 114.549 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -34.81 -43.72 0.19 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 130.856 3.662 . . . . 0.0 114.633 158.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.24 -42.9 96.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.724 1.725 . . . . 0.0 113.794 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.28 -38.04 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 128.505 2.722 . . . . 0.0 110.081 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.24 19.73 5.4 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 125.712 1.625 . . . . 0.0 114.098 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.2 t -49.41 114.37 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.79 2.036 . . . . 0.0 113.281 150.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -152.73 -175.06 5.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.698 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 5.8 p-80 -132.81 -118.99 0.2 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.698 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 75.4 mt-10 -75.87 59.14 1.21 Allowed 'General case' 0 N--CA 1.43 -1.443 1 C-N-CA 132.894 4.478 . . . . 0.0 111.943 172.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.2 82.31 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 125.266 1.412 . . . . 0.0 113.283 166.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 39.9 mtp180 -128.44 156.44 43.2 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 130.686 3.594 . . . . 0.0 108.358 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -46.46 163.23 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.298 2.239 . . . . 0.0 114.996 172.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 tp -85.14 113.2 21.34 Favored 'General case' 0 N--CA 1.429 -1.524 0 O-C-N 117.924 -2.985 . . . . 0.0 110.61 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.55 -173.2 3.68 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.968 1.842 . . . . 0.0 114.982 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -47.24 15.15 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 128.409 2.684 . . . . 0.0 114.717 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -69.83 -44.52 69.77 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.743 2.017 . . . . 0.0 115.556 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -37.49 -34.46 0.1 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 131.411 3.884 . . . . 0.0 116.336 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -14.56 17.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.634 1.174 . . . . 0.0 113.775 -178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -72.09 -33.3 67.76 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 124.842 1.257 . . . . 0.0 111.334 168.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.44 -40.37 95.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.409 -2.682 . . . . 0.0 111.051 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 mt -55.42 -69.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.12 -41.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.92 3.688 . . . . 0.0 117.651 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -57.09 -54.58 45.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.775 2.03 . . . . 0.0 113.013 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -79.99 5.31 14.38 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.772 1.629 . . . . 0.0 114.743 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -92.17 115.48 28.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -172.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -82.0 168.66 17.61 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 108.787 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -60.58 -35.16 75.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.873 -1.767 . . . . 0.0 110.725 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.75 -50.71 68.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.865 1.666 . . . . 0.0 111.077 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -54.82 -51.72 64.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.256 1.422 . . . . 0.0 113.948 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -54.98 -54.27 45.07 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.309 1.844 . . . . 0.0 111.591 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.29 -42.58 92.98 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.695 -1.253 . . . . 0.0 109.384 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -76.43 -20.69 56.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.782 1.233 . . . . 0.0 110.724 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tt -76.96 -52.31 9.62 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.3 mm -77.53 -11.04 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 122.745 1.259 . . . . 0.0 109.909 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.01 -39.65 79.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.054 -2.278 . . . . 0.0 111.408 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.75 -47.72 16.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.204 1.001 . . . . 0.0 111.771 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -129.76 96.61 4.28 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.269 1.033 . . . . 0.0 109.249 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -76.66 -41.14 46.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -45.77 -42.24 11.8 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 128.785 2.834 . . . . 0.0 116.793 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.56 -46.97 44.52 Favored Glycine 0 N--CA 1.429 -1.801 0 O-C-N 120.492 -1.38 . . . . 0.0 112.707 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -64.62 -50.24 67.91 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.857 1.263 . . . . 0.0 112.116 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -63.57 -28.2 69.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.37 -55.71 17.01 Favored Glycine 0 N--CA 1.429 -1.806 0 O-C-N 120.539 -1.35 . . . . 0.0 112.716 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.252 34.2 m -69.03 -42.47 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 121.886 -0.773 . . . . 0.0 112.974 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.01 -46.85 84.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.792 -1.193 . . . . 0.0 113.049 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.36 -35.71 61.08 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.768 -1.208 . . . . 0.0 113.663 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 20' ' ' LYS . 7.4 t80 -64.14 -48.65 75.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.951 -1.093 . . . . 0.0 111.189 172.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.7 -27.17 62.85 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.26 -1.525 . . . . 0.0 114.156 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.97 -49.44 60.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.388 -1.445 . . . . 0.0 114.219 166.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.9 mtp -95.19 -6.02 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.581 1.152 . . . . 0.0 113.096 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -108.72 -76.38 0.61 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 120.977 1.717 . . . . 0.0 107.223 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.43 -1.428 0 C-N-CA 117.641 -1.624 . . . . 0.0 111.243 -167.807 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 tptt . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -77.75 -17.77 57.21 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.16 -1.587 . . . . 0.0 112.11 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.06 -63.55 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 125.524 1.53 . . . . 0.0 113.771 163.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.36 -63.09 0.59 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.168 1.787 . . . . 0.0 115.579 167.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 m -51.33 -55.29 19.22 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.711 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -75.36 -40.49 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.195 -1.565 . . . . 0.0 109.454 -168.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -60.74 -41.19 94.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.844 -1.785 . . . . 0.0 115.248 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.55 -42.64 34.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 164.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.03 -53.71 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.428 1.091 . . . . 0.0 110.192 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.04 -58.45 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.614 2.365 . . . . 0.0 112.766 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -48.21 -69.62 0.12 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.421 -2.049 . . . . 0.0 114.191 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.66 -27.35 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.69 33.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.362 -1.461 . . . . 0.0 113.31 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -58.76 -44.97 90.74 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.292 2.237 . . . . 0.0 111.87 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.54 -37.53 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.342 2.257 . . . . 0.0 113.357 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.38 -57.68 3.74 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.582 1.153 . . . . 0.0 112.039 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 19.2 pt -66.87 -20.9 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -172.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -48.7 -67.75 0.24 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.149 2.179 . . . . 0.0 115.379 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -115.12 22.63 13.18 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.582 -1.323 . . . . 0.0 113.54 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.4 p -110.04 -81.57 0.58 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.431 -2.043 . . . . 0.0 114.247 167.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? 178.93 144.09 0.13 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.883 3.273 . . . . 0.0 102.852 -158.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HG3' ' HH ' ' A' ' 83' ' ' TYR . 26.4 mp0 -91.56 3.43 55.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.695 3.198 . . . . 0.0 113.816 -176.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.71 -42.89 98.14 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.988 2.328 . . . . 0.0 111.959 -156.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.58 -62.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 131.181 3.793 . . . . 0.0 112.943 172.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 26' ' ' ILE 0.269 2.5 p -63.33 -31.8 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -52.96 -58.85 5.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.769 1.228 . . . . 0.0 112.498 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -100.13 84.23 2.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.393 -1.442 . . . . 0.0 109.809 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -26.67 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 120.863 3.653 . . . . 0.0 120.863 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.74 60.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.61 1.964 . . . . 0.0 112.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.45 -5.8 59.07 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 129.081 2.952 . . . . 0.0 110.499 169.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -87.96 -60.92 1.84 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.127 -2.233 . . . . 0.0 107.3 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -30.6 -48.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 129.714 3.205 . . . . 0.0 116.263 162.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.88 -17.92 42.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -67.78 -35.4 78.61 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 116.704 -3.747 . . . . 0.0 112.814 156.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.54 -28.04 68.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.225 -2.797 . . . . 0.0 115.687 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -74.7 -21.71 59.24 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.489 1.516 . . . . 0.0 111.38 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -53.5 57.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.379 1.561 . . . . 0.0 111.253 172.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.21 -42.82 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.382 2.273 . . . . 0.0 112.745 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.73 39.41 2.95 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 126.888 2.185 . . . . 0.0 113.783 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.32 145.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.498 1.919 . . . . 0.0 108.002 159.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -142.12 -172.35 3.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 102.89 -3.004 . . . . 0.0 102.89 164.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -115.64 -137.49 0.36 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.654 -1.279 . . . . 0.0 108.219 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.64 120.72 6.0 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.815 -1.178 . . . . 0.0 113.426 145.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.14 -27.53 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 130.553 3.93 . . . . 0.0 122.185 167.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -139.27 172.4 12.89 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.765 1.269 . . . . 0.0 107.991 -171.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.26 167.1 0.98 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.491 1.916 . . . . 0.0 112.555 156.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.2 tp -76.47 121.04 22.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.211 1.404 . . . . 0.0 110.879 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -92.53 145.0 24.78 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.484 -2.01 . . . . 0.0 108.414 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -54.76 -34.04 62.05 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.801 1.64 . . . . 0.0 115.167 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.8 -32.61 73.82 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.071 2.548 . . . . 0.0 116.087 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.3 96.5 p -72.04 -6.31 41.41 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -164.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -25.38 -44.42 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.71 3.226 . . . . 0.0 119.71 149.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -49.02 -62.18 1.67 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.67 3.188 . . . . 0.0 111.059 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -62.53 -28.53 69.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -74.91 -63.34 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 123.467 2.849 . . . . 0.0 109.098 -168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.7 -26.61 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.939 2.896 . . . . 0.0 116.059 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -71.92 -39.18 69.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.892 -1.13 . . . . 0.0 109.942 173.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.83 -38.94 36.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.493 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.5 117.52 14.27 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 121.261 1.846 . . . . 0.0 109.506 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -173.74 0.21 Allowed 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 126.291 1.836 . . . . 0.0 112.599 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -63.15 -33.49 75.58 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 117.285 -3.384 . . . . 0.0 112.668 162.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.78 -58.52 7.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.578 2.351 . . . . 0.0 114.431 171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.59 -37.03 84.06 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.724 1.609 . . . . 0.0 111.056 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -48.28 -61.8 1.81 Allowed 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 126.417 1.887 . . . . 0.0 112.41 164.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -67.16 -34.35 77.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.211 -1.555 . . . . 0.0 109.963 -172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.8 m -71.04 -44.69 65.28 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.831 1.652 . . . . 0.0 111.883 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -42.21 -58.42 2.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.299 2.239 . . . . 0.0 114.671 165.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.71 -42.35 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 129.161 2.984 . . . . 0.0 113.454 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.1 -49.37 77.93 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.228 -2.17 . . . . 0.0 112.813 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.18 -42.44 37.62 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.074 -1.016 . . . . 0.0 113.363 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -146.66 88.73 1.78 Allowed 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.979 -1.076 . . . . 0.0 109.98 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -77.07 -35.66 56.45 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.644 -1.91 . . . . 0.0 114.21 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -52.71 -35.67 56.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.894 2.477 . . . . 0.0 116.723 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.52 -63.44 4.48 Favored Glycine 0 N--CA 1.431 -1.685 0 O-C-N 120.704 -1.247 . . . . 0.0 113.529 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.58 -51.36 68.88 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.811 1.644 . . . . 0.0 113.857 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -78.92 -21.0 47.97 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.218 -2.176 . . . . 0.0 113.986 -169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.35 -42.51 49.18 Favored Glycine 0 N--CA 1.43 -1.758 0 O-C-N 120.329 -1.482 . . . . 0.0 112.898 167.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -68.35 -29.21 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 121.389 -1.065 . . . . 0.0 112.241 175.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.0 -43.56 73.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.389 1.476 . . . . 0.0 113.442 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -63.05 -38.59 91.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.082 -1.636 . . . . 0.0 113.964 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.418 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.6 t80 -59.87 -46.09 90.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.505 -1.372 . . . . 0.0 110.743 170.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.21 -33.61 72.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.645 -1.91 . . . . 0.0 114.55 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -65.5 -37.87 88.07 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.296 -1.503 . . . . 0.0 111.26 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.5 tpt -95.39 -37.3 11.01 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.255 1.822 . . . . 0.0 114.487 -169.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -96.72 -78.17 0.47 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.203 -1.561 . . . . 0.0 109.844 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.431 -1.412 0 C-N-CA 115.173 -2.611 . . . . 0.0 109.646 -177.799 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.344 1.069 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -56.3 -36.41 68.63 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.06 -1.65 . . . . 0.0 112.304 167.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.73 -51.22 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.16 2.184 . . . . 0.0 111.289 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.41 -65.81 0.38 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 129.13 2.972 . . . . 0.0 115.393 160.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 m -53.48 -51.51 62.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.826 1.648 . . . . 0.0 112.665 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.35 -45.63 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -60.85 -43.3 98.52 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 121.434 1.925 . . . . 0.0 113.259 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.96 -43.06 91.26 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.679 2.792 . . . . 0.0 115.196 170.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.11 -51.03 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 120.113 1.324 . . . . 0.0 112.51 171.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.6 -48.72 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 126.902 2.081 . . . . 0.0 112.903 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 m -57.32 -50.15 73.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.819 1.647 . . . . 0.0 112.73 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.27 -39.44 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 120.995 -1.066 . . . . 0.0 111.274 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.02 51.58 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 172.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -63.81 -38.89 92.78 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.258 1.023 . . . . 0.0 112.089 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.0 mt -58.6 -40.54 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 123.532 0.733 . . . . 0.0 112.274 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.41 -52.63 6.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 119.526 1.057 . . . . 0.0 112.216 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.429 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 27.1 pt -69.03 -29.9 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 119.128 -2.233 . . . . 0.0 116.443 -169.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -46.18 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 166.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.91 80.75 1.47 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.393 1.906 . . . . 0.0 112.868 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -166.8 -79.22 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.734 -1.229 . . . . 0.0 111.291 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.96 126.95 13.62 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.461 1.904 . . . . 0.0 109.911 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -89.05 -23.98 22.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.512 -1.368 . . . . 0.0 110.872 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -41.29 -1.59 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.422 1 C-N-CA 132.047 4.139 . . . . 0.0 119.496 151.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.66 -56.41 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.438 -2.039 . . . . 0.0 109.254 165.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 33' ' ' PHE 0.272 0.8 OUTLIER -55.97 -22.14 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 -175.977 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -41.33 -36.84 0.88 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 169.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -127.95 119.26 25.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.017 1.327 . . . . 0.0 108.478 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -30.55 -63.89 0.14 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 120.309 3.448 . . . . 0.0 120.309 166.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -25.16 67.77 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.312 -2.117 . . . . 0.0 115.236 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -74.72 -35.29 62.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.534 1.534 . . . . 0.0 109.384 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 9.2 t80 -68.55 -51.9 37.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 124.627 1.171 . . . . 0.0 109.465 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.63 -51.59 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.708 2.003 . . . . 0.0 112.505 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.37 -22.26 61.91 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -85.75 -17.52 35.62 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 119.512 1.051 . . . . 0.0 110.721 173.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.82 -31.09 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.769 2.028 . . . . 0.0 110.847 172.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.83 -39.75 94.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 118.579 -2.576 . . . . 0.0 114.624 168.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -33.48 -52.37 0.39 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 129.055 2.942 . . . . 0.0 116.256 166.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.08 -34.98 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 130.336 3.455 . . . . 0.0 115.549 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.29 43.44 0.84 Allowed Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.794 -1.191 . . . . 0.0 110.66 -172.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.79 113.46 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -127.32 157.39 40.03 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 121.468 1.94 . . . . 0.0 109.556 -168.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.427 6.7 p-80 -111.55 -121.33 0.28 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.571 -1.33 . . . . 0.0 109.326 167.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.85 70.69 1.87 Allowed 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.163 -2.211 . . . . 0.0 108.567 -157.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 -3.47 11.84 Favored Glycine 0 N--CA 1.43 -1.708 0 O-C-N 120.035 -1.665 . . . . 0.0 116.015 -167.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -126.52 155.85 41.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.361 1.065 . . . . 0.0 109.284 -168.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.78 159.61 24.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.539 -1.351 . . . . 0.0 110.998 169.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -84.85 128.41 34.6 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.451 -1.406 . . . . 0.0 109.727 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.53 158.72 16.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.458 1.103 . . . . 0.0 109.993 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -73.2 -10.56 59.9 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.504 -1.372 . . . . 0.0 114.532 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -74.83 -43.15 56.13 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 111.549 171.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 m -71.06 5.27 2.15 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.224 1.809 . . . . 0.0 115.698 -174.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.07 -21.84 66.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.2 -1.563 . . . . 0.0 112.45 163.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -57.26 -53.75 54.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.187 -1.571 . . . . 0.0 112.604 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.4 -26.32 65.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.308 2.243 . . . . 0.0 115.887 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.66 -67.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.183 1.393 . . . . 0.0 111.654 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.72 -12.87 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.748 -1.22 . . . . 0.0 112.818 -157.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -72.19 -19.01 61.81 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 118.966 -2.334 . . . . 0.0 111.928 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -91.48 -17.1 26.25 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.725 . . . . 0.0 111.103 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.78 129.53 34.81 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.122 1.369 . . . . 0.0 110.23 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.604 HG23 ' H ' ' A' ' 63' ' ' GLN . 7.1 m -125.66 -166.58 1.57 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.208 -1.557 . . . . 0.0 107.754 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.604 ' H ' HG23 ' A' ' 62' ' ' THR . 54.2 mm-40 -77.96 -41.59 35.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 118.754 -2.466 . . . . 0.0 112.897 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -51.93 -47.49 64.66 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 124.71 2.195 . . . . 0.0 114.403 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.21 -26.4 35.95 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.291 1.837 . . . . 0.0 112.531 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -53.36 -53.17 55.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.642 1.977 . . . . 0.0 112.816 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -80.34 -30.24 38.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.124 1.77 . . . . 0.0 111.358 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.8 m -53.51 -44.02 68.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.973 1.709 . . . . 0.0 113.362 169.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.76 -57.82 7.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.657 1.983 . . . . 0.0 111.802 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mm -49.93 -52.49 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.924 2.89 . . . . 0.0 113.586 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -51.93 -42.12 62.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.36 1.464 . . . . 0.0 114.633 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.33 -47.43 42.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.983 -1.073 . . . . 0.0 113.618 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -150.52 98.22 2.61 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.7 -1.25 . . . . 0.0 111.635 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -78.43 -41.49 32.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.744 1.218 . . . . 0.0 113.67 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.85 -41.99 11.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 128.56 2.744 . . . . 0.0 117.992 -168.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.05 25.23 Favored Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.232 -1.543 . . . . 0.0 113.598 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.82 -43.61 98.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.204 1.801 . . . . 0.0 111.55 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.16 -49.83 72.77 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.518 1.927 . . . . 0.0 112.523 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.46 -54.73 19.36 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 125.969 1.747 . . . . 0.0 114.788 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.93 -17.13 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.182 -1.775 . . . . 0.0 114.088 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -67.45 -39.49 85.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.668 -1.895 . . . . 0.0 111.328 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -67.22 -31.36 71.69 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.471 -2.018 . . . . 0.0 113.234 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.429 ' CZ ' HD13 ' A' ' 19' ' ' ILE . 6.4 t80 -64.4 -43.95 92.82 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.271 -1.518 . . . . 0.0 111.764 167.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.88 -44.68 82.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.569 2.348 . . . . 0.0 112.706 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.65 -46.06 91.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 111.701 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.5 mmm -69.67 -46.21 66.62 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -95.99 -74.17 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.097 -1.627 . . . . 0.0 115.36 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.429 -1.475 0 C-N-CA 116.968 -1.893 . . . . 0.0 112.965 -160.235 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 120.791 0.329 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.8 -34.93 73.68 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.321 -1.487 . . . . 0.0 113.61 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.35 -61.16 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.301 2.24 . . . . 0.0 113.743 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -45.76 -52.21 11.44 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 127.714 2.405 . . . . 0.0 114.924 161.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.8 m -51.41 -44.47 62.25 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.245 -2.159 . . . . 0.0 115.425 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -82.12 -33.84 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 120.643 -1.286 . . . . 0.0 110.504 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -56.25 -46.6 79.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 119.574 -1.953 . . . . 0.0 113.363 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.51 -50.17 72.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.983 2.113 . . . . 0.0 113.516 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -53.86 -53.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 125.317 1.447 . . . . 0.0 112.736 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.29 -42.65 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.007 1.723 . . . . 0.0 113.149 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 m -60.3 -54.83 41.01 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.152 1.381 . . . . 0.0 111.85 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.9 t -69.37 -41.71 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.868 -1.145 . . . . 0.0 111.772 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -28.81 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -81.8 -38.81 24.98 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.826 -1.796 . . . . 0.0 111.811 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -41.08 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.55 1.54 . . . . 0.0 112.209 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -43.23 -60.72 1.57 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.036 2.134 . . . . 0.0 116.585 165.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 pt -83.19 -52.21 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -173.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -28.98 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 128.262 2.625 . . . . 0.0 116.026 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -104.84 17.74 23.59 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 122.46 2.391 . . . . 0.0 111.272 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -123.54 -75.99 0.59 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.059 -1.651 . . . . 0.0 114.102 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -142.6 107.19 4.82 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.461 -1.4 . . . . 0.0 113.862 -165.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -87.54 -24.0 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.151 -2.218 . . . . 0.0 112.109 171.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.25 7.8 p-10 -42.05 -0.2 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 130.505 3.522 . . . . 0.0 118.945 151.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mm -100.55 -56.54 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.608 -1.932 . . . . 0.0 110.089 165.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -56.16 -18.38 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 117.47 2.396 . . . . 0.0 117.47 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -49.12 -30.23 6.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 168.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -136.17 109.55 7.88 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.768 1.627 . . . . 0.0 107.054 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.41 -28.26 68.49 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.5 73.16 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 124.695 3.407 . . . . 0.0 116.212 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.34 -53.77 43.54 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.856 1.262 . . . . 0.0 111.281 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -45.07 -54.91 6.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.494 1.918 . . . . 0.0 115.41 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -55.16 -53.76 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.084 2.154 . . . . 0.0 112.517 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.13 68.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.97 -27.04 36.13 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.234 1.014 . . . . 0.0 110.865 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.4 -23.55 34.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.543 -1.348 . . . . 0.0 112.288 171.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.14 -35.35 74.01 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.199 -2.813 . . . . 0.0 113.656 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -34.12 -45.33 0.2 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 160.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mm -49.81 -34.26 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.72 2.808 . . . . 0.0 114.193 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.84 21.33 7.16 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 125.921 1.724 . . . . 0.0 111.624 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -77.11 98.04 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 124.659 1.184 . . . . 0.0 108.409 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.2 145.61 48.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.27 -1.519 . . . . 0.0 111.574 -162.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' HE1' ' O ' ' A' ' 48' ' ' LYS 0.456 12.8 p-80 -109.69 -119.36 0.28 Allowed 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 117.207 -1.378 . . . . 0.0 108.593 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' OE1' ' CD2' ' A' ' 44' ' ' HIS . 3.3 mp0 -105.63 75.04 1.11 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 124.285 3.221 . . . . 0.0 107.138 -167.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.04 -11.77 40.7 Favored Glycine 0 N--CA 1.43 -1.766 0 N-CA-C 118.322 2.089 . . . . 0.0 118.322 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -135.37 152.13 51.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 118.97 1.385 . . . . 0.0 110.056 -157.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 33.2 mmtp -73.91 161.79 29.75 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.301 -1.499 . . . . 0.0 112.458 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.65 124.18 31.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.33 -2.106 . . . . 0.0 111.137 -173.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.51 144.78 32.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.106 1.762 . . . . 0.0 108.629 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.28 -27.32 64.32 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.801 -1.812 . . . . 0.0 113.404 -155.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.56 -20.72 63.59 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.909 2.884 . . . . 0.0 113.209 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -75.89 8.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -59.23 -32.78 70.28 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.89 -2.381 . . . . 0.0 114.328 165.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -62.01 -39.6 92.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.221 173.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.78 -35.83 81.88 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.518 1.927 . . . . 0.0 113.665 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -57.23 -63.92 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.251 1.02 . . . . 0.0 111.046 168.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.16 -24.05 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 121.219 -0.926 . . . . 0.0 111.377 -151.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.5 p -74.38 -37.86 63.32 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 120.977 -1.077 . . . . 0.0 111.966 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -35.69 80.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.035 1.334 . . . . 0.0 113.373 177.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 131.93 45.81 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 121.157 -0.965 . . . . 0.0 111.573 170.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.62 -178.89 3.81 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.713 -1.867 . . . . 0.0 106.276 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -53.83 -40.27 66.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.418 -1.426 . . . . 0.0 113.121 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -50.87 -53.61 30.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 124.574 2.131 . . . . 0.0 113.78 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.31 -46.11 64.9 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 129.947 3.299 . . . . 0.0 112.124 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -44.85 -53.59 7.34 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.03 2.532 . . . . 0.0 112.62 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.257 0.2 OUTLIER -73.21 -38.94 65.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.56 1.544 . . . . 0.0 110.229 176.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.3 m -54.18 -46.09 72.27 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.892 2.133 . . . . 0.0 114.063 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.34 -22.01 28.67 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.59 -1.319 . . . . 0.0 113.072 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.59 -53.17 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.634 -1.291 . . . . 0.0 110.884 160.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.72 -58.37 4.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.191 2.996 . . . . 0.0 116.83 173.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -64.24 -36.23 83.41 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.339 0.2 OUTLIER -132.18 83.43 2.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 123.345 1.545 . . . . 0.0 111.698 172.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -62.39 -43.14 99.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.23 1.812 . . . . 0.0 113.425 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.63 -14.56 63.1 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.75 -53.88 17.69 Favored Glycine 0 N--CA 1.43 -1.729 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.63 -46.47 70.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.82 1.648 . . . . 0.0 112.372 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -54.56 -51.64 64.59 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.18 -28.95 57.38 Favored Glycine 0 N--CA 1.43 -1.72 0 O-C-N 119.486 -2.009 . . . . 0.0 114.841 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.42 3.8 p -75.51 -41.9 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.341 -0.929 . . . . 0.0 113.021 174.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.17 -41.37 86.08 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.045 -1.66 . . . . 0.0 112.201 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -55.09 -51.89 64.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.738 -1.226 . . . . 0.0 113.405 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -43.42 81.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.738 -1.226 . . . . 0.0 112.129 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -54.22 -41.28 68.52 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.001 -2.312 . . . . 0.0 115.316 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.12 -44.18 96.35 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.894 1.278 . . . . 0.0 112.546 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.3 mtt -60.6 -62.68 1.69 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.417 14.2 p90 -75.94 -73.6 0.26 Allowed 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.561 -1.337 . . . . 0.0 113.92 -168.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.429 -1.494 0 CA-C-N 122.136 2.244 . . . . 0.0 112.255 -170.337 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 N--CA 1.43 -1.463 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.31 -32.62 17.26 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.887 -1.758 . . . . 0.0 109.264 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.95 -48.96 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.51 0 C-N-CA 127.926 2.49 . . . . 0.0 111.256 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.31 -53.14 5.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.619 1.968 . . . . 0.0 115.436 158.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -52.2 -67.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 122.354 2.343 . . . . 0.0 113.021 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 61' ' ' LEU . 58.9 t -56.88 -37.64 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 117.042 2.238 . . . . 0.0 117.042 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -67.09 -33.01 74.56 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.622 -1.924 . . . . 0.0 113.898 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -62.84 -53.26 56.97 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.898 2.079 . . . . 0.0 112.187 169.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -42.47 -54.78 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.324 15.1 tt -68.86 -49.12 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.748 2.819 . . . . 0.0 112.357 -175.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m -65.61 -48.29 72.78 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.933 -1.73 . . . . 0.0 113.783 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.49 -47.37 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.157 1.383 . . . . 0.0 111.229 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.25 24.72 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 168.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -66.32 -42.46 88.19 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.339 1.456 . . . . 0.0 110.005 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.92 -39.4 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 124.725 1.21 . . . . 0.0 112.927 172.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -87.21 -46.37 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 120.763 1.619 . . . . 0.0 113.549 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.454 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 31.4 pt -71.89 -23.15 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 123.387 2.812 . . . . 0.0 117.614 -168.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -67.24 -55.39 14.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.736 -1.227 . . . . 0.0 111.164 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -115.92 80.2 1.41 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.516 2.326 . . . . 0.0 111.967 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -173.37 -94.93 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.75 1.22 . . . . 0.0 109.786 161.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -130.88 139.08 50.08 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.532 1.933 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CG ' ' HH ' ' A' ' 83' ' ' TYR . 1.6 mp0 -89.06 -23.18 22.62 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.628 1.104 . . . . 0.0 110.675 167.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -40.13 -40.72 1.14 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -42.27 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 118.587 -2.571 . . . . 0.0 112.356 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.331 0.5 OUTLIER -73.61 -41.52 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.056 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 121.278 3.807 . . . . 0.0 121.278 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -148.21 88.23 1.64 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 168.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -27.2 -38.07 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 120.479 3.511 . . . . 0.0 120.479 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.75 -44.2 2.15 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 168.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.48 -50.85 27.49 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 128.523 2.729 . . . . 0.0 113.531 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -43.72 -46.59 7.59 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 166.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -53.56 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.197 2.199 . . . . 0.0 107.518 -173.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -19.22 63.46 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -80.84 -12.23 59.46 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 123.162 2.71 . . . . 0.0 111.568 168.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.23 -25.44 39.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.999 -1.063 . . . . 0.0 113.018 161.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -63.74 -42.81 97.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.096 -2.253 . . . . 0.0 112.233 165.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -41.17 -50.16 3.53 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 162.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mt -55.49 -40.44 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 13.88 21.56 Favored Glycine 0 N--CA 1.429 -1.804 0 N-CA-C 116.189 1.236 . . . . 0.0 116.189 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.3 1.0 OUTLIER -56.87 108.5 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-O 124.573 2.13 . . . . 0.0 114.269 167.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.1 p -109.07 144.19 37.42 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.598 2.142 . . . . 0.0 112.811 168.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -108.15 -164.53 0.97 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.313 3.045 . . . . 0.0 106.062 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.56 111.71 0.63 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.956 1.707 . . . . 0.0 114.847 -171.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.52 -7.66 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 129.484 3.421 . . . . 0.0 120.792 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -141.15 153.22 45.26 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 120.423 2.111 . . . . 0.0 112.091 -158.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -51.41 142.09 14.24 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.729 -1.857 . . . . 0.0 114.724 164.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.58 112.75 8.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 118.975 -2.328 . . . . 0.0 112.565 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.34 171.0 15.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.941 1.696 . . . . 0.0 113.92 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.79 -43.61 68.32 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.588 2.137 . . . . 0.0 109.535 -170.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -74.32 -8.64 56.94 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 130.921 3.688 . . . . 0.0 113.795 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -67.97 -2.32 7.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.289 -1.507 . . . . 0.0 113.629 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.28 -23.88 59.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.316 1.446 . . . . 0.0 111.309 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -54.55 44.86 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.459 -2.026 . . . . 0.0 113.779 168.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -44.96 -54.83 6.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 128.252 2.621 . . . . 0.0 116.486 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.259 21.0 mm -42.89 -69.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.221 2.608 . . . . 0.0 111.495 163.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 p -71.18 -28.29 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 123.779 2.99 . . . . 0.0 111.88 -161.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -72.68 -51.84 17.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.911 -1.743 . . . . 0.0 113.507 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.36 -36.19 2.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 167.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.408 HD13 HG23 ' A' ' 8' ' ' VAL . 75.7 mt -83.42 103.49 12.83 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 125.986 1.714 . . . . 0.0 113.437 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.0 p -94.4 -158.7 0.65 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.908 -1.745 . . . . 0.0 111.347 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.58 -34.8 78.62 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.231 -1.543 . . . . 0.0 110.781 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -49.19 -46.86 46.16 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.843 2.057 . . . . 0.0 114.489 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -55.56 18.19 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.519 1.128 . . . . 0.0 109.609 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -53.74 -53.94 45.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.719 2.2 . . . . 0.0 110.694 -152.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -80.55 -28.74 37.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 130.158 3.383 . . . . 0.0 110.659 -174.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.8 m -61.24 -49.43 77.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 121.328 1.876 . . . . 0.0 112.306 170.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.07 -61.33 2.1 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.199 1.8 . . . . 0.0 113.823 -167.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -22.4 -56.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 129.115 2.966 . . . . 0.0 117.976 142.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.23 -44.07 66.06 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.602 3.364 . . . . 0.0 113.114 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.98 -45.62 66.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.189 1.396 . . . . 0.0 113.597 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -134.22 99.68 4.47 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.529 -1.357 . . . . 0.0 109.138 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.28 -41.94 47.17 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 110.33 -172.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.44 -36.82 71.89 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 127.816 2.446 . . . . 0.0 116.143 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -44.08 98.3 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 113.025 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.16 -52.66 38.79 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.356 1.062 . . . . 0.0 111.079 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -48.43 -53.1 19.07 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.588 2.355 . . . . 0.0 114.489 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.6 -35.99 92.76 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 116.426 1.33 . . . . 0.0 116.426 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.96 -30.75 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 119.522 1.661 . . . . 0.0 111.811 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.52 -46.13 89.75 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.046 1.738 . . . . 0.0 112.407 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -67.06 -44.93 78.86 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.781 1.232 . . . . 0.0 113.591 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.474 ' HH ' ' CG ' ' A' ' 24' ' ' GLU . 17.1 t80 -59.26 -56.86 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.614 1.166 . . . . 0.0 112.238 176.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.13 -32.04 73.46 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.545 -1.347 . . . . 0.0 114.032 -169.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.78 -43.27 76.05 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 123.99 0.916 . . . . 0.0 112.177 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.0 mtt -78.22 -39.28 40.95 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 113.509 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -78.15 -71.96 0.4 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.442 -1.412 . . . . 0.0 113.665 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.322 3.5 t . . . . . 0 N--CA 1.43 -1.452 0 C-N-CA 116.047 -2.261 . . . . 0.0 116.735 -147.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -72.34 -28.75 63.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.534 -1.354 . . . . 0.0 113.05 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 tt -73.62 -25.1 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 121.237 1.835 . . . . 0.0 113.722 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.41 -28.44 62.97 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 118.375 -2.703 . . . . 0.0 113.985 164.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -61.8 -44.51 96.72 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 117.215 -3.428 . . . . 0.0 113.263 167.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.44 -52.9 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.703 3.201 . . . . 0.0 116.693 -177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -57.36 -36.57 71.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.556 -1.965 . . . . 0.0 113.909 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 7.9 mt-10 -60.76 -35.16 75.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 164.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.2 mm -67.68 -41.49 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-N 122.834 2.561 . . . . 0.0 110.309 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.76 -41.85 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 121.08 -1.012 . . . . 0.0 109.611 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -66.58 -59.04 3.98 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.019 1.328 . . . . 0.0 112.426 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.97 -39.74 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.778 1.231 . . . . 0.0 112.827 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.21 67.81 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.136 -1.603 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -64.24 -52.98 56.09 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.118 -0.989 . . . . 0.0 111.265 170.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.1 mt -42.25 -51.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 127.348 2.259 . . . . 0.0 113.936 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -34.85 72.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.181 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 pt -79.91 -48.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 122.467 2.394 . . . . 0.0 114.327 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -30.62 -74.28 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.973 2.909 . . . . 0.0 117.189 169.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -114.74 18.29 16.66 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.377 -1.452 . . . . 0.0 114.219 -175.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -133.34 -94.26 0.32 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.576 -1.327 . . . . 0.0 112.942 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -136.85 116.48 12.94 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 -167.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.03 -36.33 56.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.372 -2.08 . . . . 0.0 113.879 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.88 -30.5 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 129.582 3.153 . . . . 0.0 118.38 162.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -21.06 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 124.929 3.513 . . . . 0.0 114.109 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.8 -22.49 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.862 -1.149 . . . . 0.0 113.817 -174.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.42 -7.05 12.11 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -173.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -148.38 116.02 6.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.333 1.053 . . . . 0.0 110.025 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -26.26 -65.24 0.06 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.87 2.868 . . . . 0.0 116.345 168.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.04 66.92 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 124.975 3.534 . . . . 0.0 118.049 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.34 -20.5 28.21 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.648 -1.282 . . . . 0.0 110.442 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -80.02 -44.8 19.52 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.038 1.335 . . . . 0.0 108.236 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -49.59 -54.01 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 126.592 1.957 . . . . 0.0 111.779 164.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.16 22.59 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -75.77 -29.28 58.74 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.951 -2.343 . . . . 0.0 110.835 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.97 -14.64 60.23 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.307 1.843 . . . . 0.0 110.605 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -21.47 27.87 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.063 -2.273 . . . . 0.0 108.275 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.87 -53.35 33.17 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.083 1.753 . . . . 0.0 112.487 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.88 -34.85 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 126.25 1.82 . . . . 0.0 115.79 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.02 42.44 1.94 Allowed Glycine 0 N--CA 1.429 -1.818 0 O-C-N 120.937 -1.102 . . . . 0.0 114.211 -175.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 112.07 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 121.618 -0.93 . . . . 0.0 111.776 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -120.42 149.31 42.56 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.059 -1.651 . . . . 0.0 107.667 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -133.15 -119.81 0.19 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.997 -1.689 . . . . 0.0 110.086 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.93 58.79 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.756 2.422 . . . . 0.0 116.857 -174.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.05 -27.4 8.31 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 126.858 2.17 . . . . 0.0 113.55 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -124.35 -168.73 1.85 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.165 1.482 . . . . 0.0 112.534 -167.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -81.22 169.25 17.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.324 1.85 . . . . 0.0 107.698 166.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.82 108.49 19.17 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.852 -1.78 . . . . 0.0 110.24 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -108.38 136.03 48.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.24 1.416 . . . . 0.0 110.365 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -76.7 -14.44 59.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.337 -2.102 . . . . 0.0 115.181 -160.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -75.19 -16.47 60.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.568 -1.333 . . . . 0.0 111.846 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 m -88.37 8.88 25.5 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.261 1.425 . . . . 0.0 112.208 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.32 -29.39 70.47 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.468 -2.02 . . . . 0.0 112.264 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -39.79 -46.56 1.95 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.116 -2.24 . . . . 0.0 116.86 157.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -83.25 -19.17 36.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.515 -1.365 . . . . 0.0 111.281 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.48 -75.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 124.276 1.03 . . . . 0.0 109.192 163.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.1 -10.35 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 118.842 -2.411 . . . . 0.0 114.397 -164.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 m -90.65 -23.33 20.8 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.39 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -97.51 -15.95 20.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 122.915 2.598 . . . . 0.0 114.565 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.89 137.01 57.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.448 1.099 . . . . 0.0 110.975 159.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -102.34 -168.4 1.53 Allowed 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -55.15 -53.31 57.56 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.533 -1.98 . . . . 0.0 115.37 159.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.34 -26.05 65.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.071 2.669 . . . . 0.0 113.212 -158.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.01 -44.83 94.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 128.338 2.655 . . . . 0.0 111.659 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.69 -56.67 17.2 Favored 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 124.929 1.292 . . . . 0.0 110.844 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.06 -45.83 68.27 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -41.16 -51.91 3.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 161.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.8 -26.77 18.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 120.724 -1.235 . . . . 0.0 113.336 -171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.3 mt -43.97 -71.05 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 O-C-N 119.19 -2.194 . . . . 0.0 114.206 151.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -46.55 -64.43 0.76 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.404 3.082 . . . . 0.0 117.431 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.6 -40.67 88.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.13 -1.606 . . . . 0.0 113.741 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.31 53.68 0.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.305 -1.497 . . . . 0.0 110.287 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.55 -40.11 77.04 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.532 1.533 . . . . 0.0 112.202 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.05 -27.64 69.25 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.028 -1.67 . . . . 0.0 113.907 172.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -38.08 62.29 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.013 1.292 . . . . 0.0 112.57 171.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.16 -42.68 99.0 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.364 1.466 . . . . 0.0 112.379 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.51 -59.68 4.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.998 1.319 . . . . 0.0 114.094 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.19 -30.68 55.3 Favored Glycine 0 N--CA 1.43 -1.742 0 C-N-CA 125.258 1.408 . . . . 0.0 116.615 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.305 3.5 p -87.16 -33.23 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 123.577 0.751 . . . . 0.0 112.104 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.3 -48.89 79.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.237 1.815 . . . . 0.0 112.99 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -60.98 -41.04 95.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.737 -1.227 . . . . 0.0 112.739 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -40.57 95.35 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.061 -1.024 . . . . 0.0 111.948 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.29 -24.54 66.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.13 -2.231 . . . . 0.0 116.264 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.83 -39.08 70.01 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.366 -1.458 . . . . 0.0 112.385 166.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.8 mtp -57.79 -67.71 0.31 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.299 1.9 p90 -82.18 -75.74 0.29 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -161.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.431 -1.399 0 CA-C-N 122.576 2.444 . . . . 0.0 110.585 177.594 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 N--CA 1.43 -1.445 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.09 -21.22 27.78 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.198 -2.188 . . . . 0.0 108.818 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.31 -41.69 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.97 1.708 . . . . 0.0 108.249 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -55.03 -63.06 1.27 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.022 1.729 . . . . 0.0 111.992 165.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 m -42.16 -46.14 4.28 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.29 -36.59 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.54 -1.35 . . . . 0.0 110.619 -168.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -72.51 -18.67 61.63 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.965 -1.084 . . . . 0.0 111.982 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -66.17 -52.51 47.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.026 -1.671 . . . . 0.0 112.268 164.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.99 -52.48 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.726 -1.234 . . . . 0.0 112.935 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.29 -40.32 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.493 1.517 . . . . 0.0 112.665 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.4 m -65.87 -55.85 14.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.179 -1.576 . . . . 0.0 112.073 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.27 -43.54 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.2 -1.563 . . . . 0.0 111.72 -174.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.1 -43.69 51.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.587 1.555 . . . . 0.0 114.91 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -71.02 -38.15 72.6 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 124.52 1.128 . . . . 0.0 112.195 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.09 -31.37 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.02 1.728 . . . . 0.0 111.906 173.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.72 -60.24 2.54 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.303 1.441 . . . . 0.0 112.82 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' HH ' ' A' ' 87' ' ' TYR . 8.2 pt -83.02 -19.89 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -163.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.45 -71.53 0.07 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.587 1.54 . . . . 0.0 114.106 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.58 63.6 0.61 Allowed 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.622 -1.299 . . . . 0.0 111.153 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 m -126.7 -94.59 0.46 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -146.65 144.92 29.83 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.346 1.858 . . . . 0.0 107.446 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.96 -13.27 39.34 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 121.097 1.771 . . . . 0.0 112.282 162.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.09 -38.25 37.65 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.372 2.269 . . . . 0.0 114.454 174.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 pt -67.17 -37.01 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 126.226 1.81 . . . . 0.0 114.105 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.02 -39.15 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.3 -1.5 . . . . 0.0 111.082 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -53.27 -38.78 63.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.721 2.408 . . . . 0.0 117.006 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -121.41 90.53 3.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 101.303 -3.591 . . . . 0.0 101.303 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -71.68 -13.38 61.72 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.028 -2.295 . . . . 0.0 115.042 -155.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.22 -54.83 1.76 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.17 1.788 . . . . 0.0 114.452 161.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -47.98 -44.43 30.51 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 120.319 3.452 . . . . 0.0 120.319 163.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.94 -37.38 72.85 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.989 2.516 . . . . 0.0 112.373 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.07 -38.58 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.72 80.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.12 -36.02 2.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 156.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.17 -22.92 41.44 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 123.969 3.077 . . . . 0.0 116.054 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.96 -55.94 25.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.011 -2.305 . . . . 0.0 113.859 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -37.91 -61.54 0.63 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.261 2.689 . . . . 0.0 118.261 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.33 -39.43 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.068 2.147 . . . . 0.0 114.088 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.41 36.03 2.75 Favored Glycine 0 N--CA 1.43 -1.754 0 C-N-CA 125.159 1.362 . . . . 0.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.41 113.69 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.888 -1.36 . . . . 0.0 112.586 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.9 p -113.22 154.22 27.09 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.036 -2.29 . . . . 0.0 113.715 -172.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 34.6 p-80 -109.98 -140.11 0.38 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 155.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.261 0.8 OUTLIER -67.82 89.23 0.27 Allowed 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.419 1.009 . . . . 0.0 112.19 -178.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.99 -25.57 2.58 Favored Glycine 0 N--CA 1.43 -1.757 0 C-N-CA 125.669 1.604 . . . . 0.0 117.102 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -121.94 158.81 28.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.656 -1.496 . . . . 0.0 109.63 -162.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 33.7 mmtm -71.89 172.81 9.24 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.11 -1.618 . . . . 0.0 111.531 176.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 tp -91.18 140.54 29.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.256 -2.153 . . . . 0.0 111.096 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -113.63 -171.44 1.89 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.544 1.938 . . . . 0.0 107.168 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -74.4 -51.97 13.45 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 123.453 1.597 . . . . 0.0 109.498 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -61.19 -31.57 71.32 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 130.286 3.434 . . . . 0.0 113.805 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -58.99 -3.04 0.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.81 -22.82 53.06 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.198 -1.564 . . . . 0.0 112.746 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -46.44 60.72 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.382 1.873 . . . . 0.0 113.084 161.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -56.86 -59.99 4.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 119.979 1.263 . . . . 0.0 112.877 171.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mm -40.24 -63.91 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.504 2.721 . . . . 0.0 114.426 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.01 -14.44 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.813 -1.805 . . . . 0.0 113.16 -170.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -65.1 -48.93 71.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.484 -1.385 . . . . 0.0 112.746 165.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -79.23 -13.11 59.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -172.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.8 120.66 29.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.231 1.412 . . . . 0.0 110.623 -174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -105.36 -174.67 2.59 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 122.743 1.258 . . . . 0.0 111.405 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -55.51 -47.33 76.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.751 2.02 . . . . 0.0 114.046 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.22 -53.82 25.41 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.33 2.252 . . . . 0.0 115.767 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.21 -51.06 70.87 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.797 2.439 . . . . 0.0 111.116 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.93 -38.14 90.0 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-O 122.364 1.078 . . . . 0.0 111.101 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -40.56 63.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.223 1.409 . . . . 0.0 111.172 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.4 m -56.23 -39.76 73.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 127.096 2.158 . . . . 0.0 113.991 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.88 -67.08 0.46 Allowed 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.531 1.532 . . . . 0.0 112.452 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.9 mt -42.68 -48.48 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.935 2.894 . . . . 0.0 115.421 170.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.43 -39.77 64.63 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.06 -39.99 16.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.818 -1.176 . . . . 0.0 112.68 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -106.36 76.5 1.15 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.993 2.117 . . . . 0.0 110.272 -168.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -83.14 -71.12 0.51 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.389 -1.444 . . . . 0.0 112.038 -165.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -75.04 -9.48 58.58 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.878 1.271 . . . . 0.0 112.364 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.46 -47.63 41.58 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.705 -1.247 . . . . 0.0 112.65 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -67.62 -51.11 54.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 124.892 1.277 . . . . 0.0 111.765 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.57 -23.1 62.54 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.096 -1.628 . . . . 0.0 114.375 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.28 -49.99 69.2 Favored Glycine 0 N--CA 1.43 -1.736 0 O-C-N 121.13 -0.981 . . . . 0.0 111.342 172.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.17 -27.26 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.576 -1.543 . . . . 0.0 114.449 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.84 -40.52 76.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.572 -1.33 . . . . 0.0 112.611 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -60.47 -47.13 87.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 172.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -43.22 99.35 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.57 -1.331 . . . . 0.0 111.607 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.82 -50.98 70.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -68.41 -26.23 65.44 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.81 -1.182 . . . . 0.0 114.06 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -68.85 0.38 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 165.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.498 ' HH ' ' CD1' ' A' ' 19' ' ' ILE 0.296 0.0 OUTLIER -79.42 -72.33 0.4 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 123.518 2.872 . . . . 0.0 115.745 -163.298 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 -156.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -34.18 -57.4 0.48 Allowed 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 129.243 3.017 . . . . 0.0 116.004 169.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -34.43 -56.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 159.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.21 -25.31 66.05 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 130.008 3.323 . . . . 0.0 113.46 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.6 m -74.62 -43.4 55.64 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.548 -1.97 . . . . 0.0 109.336 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.47 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 120.997 -1.065 . . . . 0.0 113.691 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.44 3.8 ppt_? -55.2 -28.19 51.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.26 -42.9 92.8 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.587 -1.946 . . . . 0.0 113.657 165.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -75.08 -29.55 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.775 2.08 . . . . 0.0 108.683 -172.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.21 -38.54 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.756 -1.215 . . . . 0.0 111.403 171.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -68.6 -58.85 3.67 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.848 1.659 . . . . 0.0 111.831 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.76 -37.95 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 O-C-N 120.826 -1.171 . . . . 0.0 112.711 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.23 -63.53 0.97 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 159.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -57.81 -41.75 82.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.148 -1.595 . . . . 0.0 114.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.97 -44.46 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 124.822 1.249 . . . . 0.0 113.222 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.67 -63.84 1.01 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.448 1.499 . . . . 0.0 113.915 170.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.2 pt -72.12 -21.68 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.645 -1.285 . . . . 0.0 114.22 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.83 -57.37 10.44 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -115.66 19.8 15.06 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.7 p -138.43 -96.77 0.18 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.171 2.26 . . . . 0.0 111.91 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 118.8 14.5 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.722 1.601 . . . . 0.0 114.277 -165.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.04 -28.46 68.24 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.65 2.38 . . . . 0.0 117.166 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.91 -4.57 21.08 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -84.28 -32.89 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 C-N-CA 125.651 1.58 . . . . 0.0 112.069 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.51 -16.06 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.77 -1.831 . . . . 0.0 113.149 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -38.61 -59.91 0.87 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 155.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -102.25 101.05 11.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 122.449 2.386 . . . . 0.0 107.036 161.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.28 87.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.653 1.181 . . . . 0.0 113.958 -162.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.79 -22.64 25.57 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -85.83 -10.32 55.6 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.629 -1.919 . . . . 0.0 112.614 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.61 -42.89 57.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.054 -2.279 . . . . 0.0 109.538 167.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -53.35 -36.08 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 125.82 1.648 . . . . 0.0 112.906 168.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.7 -38.01 2.92 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 118.971 -2.331 . . . . 0.0 116.279 156.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.09 -38.76 31.04 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.17 -2.206 . . . . 0.0 114.38 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -43.04 -34.88 1.1 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.359 2.263 . . . . 0.0 114.002 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.53 -38.66 45.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.047 2.539 . . . . 0.0 115.997 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mt -86.66 -40.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.929 2.092 . . . . 0.0 108.952 -170.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.13 42.77 0.69 Allowed Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 124.554 1.073 . . . . 0.0 114.659 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -54.16 107.08 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 127.366 2.266 . . . . 0.0 114.805 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.3 p -123.76 150.34 44.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.557 -1.965 . . . . 0.0 111.888 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.274 0.5 OUTLIER -121.9 -135.35 0.31 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 116.041 -1.933 . . . . 0.0 107.624 168.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -72.18 60.31 0.42 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 122.25 2.296 . . . . 0.0 115.612 -166.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.98 -31.11 9.03 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 127.611 2.529 . . . . 0.0 114.198 -171.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -121.61 177.82 5.08 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 122.294 3.047 . . . . 0.0 113.84 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -70.77 157.11 38.62 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.286 2.635 . . . . 0.0 110.362 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.37 124.89 34.86 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 123.873 0.869 . . . . 0.0 108.879 -176.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -107.54 -172.84 2.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.479 1.911 . . . . 0.0 108.882 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.56 -41.05 16.84 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.064 -2.272 . . . . 0.0 109.53 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -58.62 -10.22 2.14 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 170.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -18.12 63.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 130.181 3.392 . . . . 0.0 117.343 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.85 -55.55 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -40.38 -52.76 2.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.333 2.253 . . . . 0.0 115.877 170.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -62.06 -43.48 98.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 129.761 3.225 . . . . 0.0 112.378 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.92 -48.83 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 122.699 1.237 . . . . 0.0 110.381 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 60' ' ' GLU . 72.0 t -70.49 -43.78 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.742 1.617 . . . . 0.0 112.543 -164.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -11.41 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.103 3.371 . . . . 0.0 120.103 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 58' ' ' VAL . 35.3 mt-10 -109.74 -26.65 9.74 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.35 1.46 . . . . 0.0 114.139 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.03 138.63 55.99 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 129.045 2.938 . . . . 0.0 113.03 164.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -124.69 -160.36 0.94 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 102.553 -3.129 . . . . 0.0 102.553 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.584 2.447 . . . . 0.0 115.456 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -34.9 -56.47 0.56 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 154.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -60.76 2.8 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.547 2.739 . . . . 0.0 111.89 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -44.66 -54.18 6.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.224 1.81 . . . . 0.0 114.2 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -63.19 -42.29 99.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.44 -1.412 . . . . 0.0 112.868 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -67.26 -50.26 61.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.401 3.08 . . . . 0.0 114.213 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.95 -47.71 80.03 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.056 2.142 . . . . 0.0 113.625 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.24 -62.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.353 2.661 . . . . 0.0 111.597 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.32 -48.23 6.82 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.22 2.208 . . . . 0.0 116.245 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -80.76 -46.17 15.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -120.59 47.2 1.83 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.167 -1.583 . . . . 0.0 112.681 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -38.42 90.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.384 -1.447 . . . . 0.0 113.033 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.67 -42.91 98.01 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.381 1.873 . . . . 0.0 113.131 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.31 -42.09 76.14 Favored Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 124.852 1.215 . . . . 0.0 113.297 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.12 -48.43 81.64 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.896 1.278 . . . . 0.0 113.438 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -65.51 -52.9 49.36 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.823 -1.798 . . . . 0.0 112.77 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.95 -31.4 2.79 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 119.897 2.719 . . . . 0.0 119.897 166.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.263 4.1 p -90.54 -37.87 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 CA-C-N 117.869 0.834 . . . . 0.0 111.112 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -56.82 -47.47 80.2 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.88 1.672 . . . . 0.0 113.138 170.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 -41.3 85.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.631 -1.293 . . . . 0.0 113.544 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.61 -51.51 68.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 123.929 0.892 . . . . 0.0 113.313 170.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.69 -43.21 57.56 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.745 2.018 . . . . 0.0 114.657 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.77 -56.15 17.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.747 -1.221 . . . . 0.0 112.565 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.5 mtt -54.72 -30.36 55.85 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.024 2.602 . . . . 0.0 118.024 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -114.02 -78.36 0.58 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.43 -1.442 0 CA-C-N 120.144 1.338 . . . . 0.0 110.743 -165.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt . . . . . 0 CA--C 1.489 -1.385 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.92 -39.34 81.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.463 -1.398 . . . . 0.0 112.145 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -40.9 -49.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 130.124 3.37 . . . . 0.0 117.161 163.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.22 -50.32 68.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.873 2.069 . . . . 0.0 111.221 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.7 m -62.66 -48.54 78.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.208 -0.933 . . . . 0.0 111.699 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.76 -44.42 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 121.071 -1.018 . . . . 0.0 111.002 -170.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -55.81 -26.9 48.61 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -74.15 -47.97 32.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.336 -0.852 . . . . 0.0 113.155 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -42.86 -58.5 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 127.517 2.327 . . . . 0.0 115.19 162.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.97 -62.69 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 120.641 1.564 . . . . 0.0 112.565 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.4 m -40.08 -55.16 2.15 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.058 2.143 . . . . 0.0 115.994 174.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.37 -40.04 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.236 -1.54 . . . . 0.0 109.881 -168.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.96 -47.59 71.17 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.727 1.611 . . . . 0.0 113.778 169.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -57.41 -42.49 82.39 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 171.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.26 -42.1 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 125.915 1.686 . . . . 0.0 113.136 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -73.08 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 128.255 2.622 . . . . 0.0 113.131 156.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.292 20.2 pt -69.47 -34.0 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 117.137 -3.477 . . . . 0.0 119.306 -161.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -30.25 71.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 120.358 3.466 . . . . 0.0 120.358 -162.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -110.97 15.59 21.66 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.489 -2.632 . . . . 0.0 112.246 167.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.9 m -118.69 -86.1 0.65 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -173.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -176.53 104.67 0.06 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.329 -0.857 . . . . 0.0 112.071 -152.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 3.1 mp0 -27.98 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.402 1 N-CA-C 123.715 4.709 . . . . 0.0 123.715 155.209 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -43.24 -38.21 2.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -53.13 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.013 -1.679 . . . . 0.0 112.792 170.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 p -70.46 -22.21 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.51 -6.68 49.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 116.874 -3.641 . . . . 0.0 114.643 -165.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -136.16 150.46 49.06 Favored 'General case' 0 N--CA 1.429 -1.512 1 N-CA-C 98.852 -4.499 . . . . 0.0 98.852 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.454 21.5 ptt-85 -89.33 -32.49 17.31 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 116.34 -2.144 . . . . 0.0 116.196 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -36.19 -55.13 0.8 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.745 2.418 . . . . 0.0 115.931 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.27 -49.58 66.64 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.864 2.066 . . . . 0.0 112.43 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -47.01 12.62 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.18 2.592 . . . . 0.0 112.144 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.33 -55.07 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.589 2.756 . . . . 0.0 109.88 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.63 19.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 131.532 3.933 . . . . 0.0 116.009 167.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.76 -45.67 49.78 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 121.628 2.013 . . . . 0.0 113.552 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.288 11.9 mt -61.12 -46.88 88.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 110.53 -3.032 . . . . 0.0 114.744 170.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.47 -39.86 77.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.637 1.975 . . . . 0.0 113.086 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.28 -44.36 91.93 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.539 3.135 . . . . 0.0 112.796 175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.25 -34.74 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-O 124.757 2.217 . . . . 0.0 109.392 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.55 24.36 3.46 Favored Glycine 0 N--CA 1.431 -1.683 1 C-N-CA 131.491 4.377 . . . . 0.0 114.841 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -76.41 105.66 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 121.029 2.414 . . . . 0.0 108.357 -168.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -110.61 -172.93 2.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.407 -2.058 . . . . 0.0 111.625 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -148.03 -166.7 2.6 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 104.436 -2.431 . . . . 0.0 104.436 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -44.71 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.78 -4.71 60.03 Favored Glycine 0 N--CA 1.429 -1.796 0 O-C-N 119.852 -1.78 . . . . 0.0 116.549 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -133.85 -170.69 2.56 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.257 1.423 . . . . 0.0 109.337 -167.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -89.28 -165.06 1.25 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 159.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.87 119.15 37.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -108.6 145.32 35.08 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.37 -36.72 83.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 120.571 1.532 . . . . 0.0 112.827 -172.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.42 -23.11 64.13 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 130.588 3.555 . . . . 0.0 115.685 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -70.56 21.56 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.203 2.201 . . . . 0.0 115.261 170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -79.6 -18.82 50.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.41 -2.056 . . . . 0.0 112.245 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.57 -39.33 77.41 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.714 -1.241 . . . . 0.0 108.818 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -58.85 -50.42 74.04 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.461 1.904 . . . . 0.0 111.93 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.6 mm -51.56 -56.28 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 m -84.22 -37.87 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 119.022 -2.298 . . . . 0.0 114.321 -164.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 m -72.11 -22.21 61.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.905 1.812 . . . . 0.0 111.687 -157.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.17 7.33 29.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 131.06 3.744 . . . . 0.0 113.586 -174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.2 mt -93.61 108.15 19.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.1 p -101.49 -158.36 0.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 122.742 1.258 . . . . 0.0 111.373 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -38.37 88.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.528 2.331 . . . . 0.0 115.713 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.174 2.19 . . . . 0.0 112.341 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -49.25 -71.76 0.06 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.017 2.127 . . . . 0.0 110.96 162.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -39.66 -55.33 1.9 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -170.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.87 16.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.968 -1.708 . . . . 0.0 114.914 172.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -49.55 -56.9 8.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.909 2.484 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.25 -41.63 89.21 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.582 1.658 . . . . 0.0 110.779 -173.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.42 -36.45 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.178 1.791 . . . . 0.0 112.235 -174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.33 -41.62 63.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.53 -1.981 . . . . 0.0 110.915 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.4 -43.6 14.53 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 114.44 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -114.2 40.76 2.43 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.247 -1.533 . . . . 0.0 111.842 -170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.66 -27.84 66.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.908 1.683 . . . . 0.0 113.749 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.95 -37.59 45.4 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.274 2.23 . . . . 0.0 115.304 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.48 -41.03 9.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 124.373 0.987 . . . . 0.0 111.461 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.26 -41.94 96.7 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.606 1.562 . . . . 0.0 112.972 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.94 -49.07 74.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.273 1.429 . . . . 0.0 114.224 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.02 42.74 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 119.739 -1.85 . . . . 0.0 113.981 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.29 4.4 m -58.7 -19.78 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.03 -50.14 73.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.014 -1.679 . . . . 0.0 111.711 168.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -68.86 -46.8 67.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.477 1.511 . . . . 0.0 112.704 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -36.78 82.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.083 -1.636 . . . . 0.0 113.044 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.79 -47.9 70.33 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.222 1.828 . . . . 0.0 113.664 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.48 -16.58 62.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.497 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 73.7 mtp -80.96 -67.52 0.77 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 123.252 2.751 . . . . 0.0 113.034 161.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.276 7.9 p90 -60.49 -22.15 63.2 Favored 'General case' 0 N--CA 1.43 -1.438 1 N-CA-C 126.252 5.649 . . . . 0.0 126.252 -167.568 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.429 -1.49 0 C-N-CA 128.17 2.588 . . . . 0.0 112.988 174.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 122.166 0.984 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -58.27 -28.45 64.96 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.334 -1.479 . . . . 0.0 114.307 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.73 -49.12 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 127.314 2.246 . . . . 0.0 114.107 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -44.67 -53.26 7.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.622 3.169 . . . . 0.0 113.269 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.4 m -56.42 -56.54 19.94 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.695 1.598 . . . . 0.0 114.524 171.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.2 -51.66 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 120.588 -1.32 . . . . 0.0 113.963 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -64.65 -28.23 69.47 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 122.71 2.505 . . . . 0.0 113.013 -167.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.68 -53.92 52.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.257 1.823 . . . . 0.0 113.353 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.05 -29.7 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.298 2.239 . . . . 0.0 113.431 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -80.57 -46.24 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 108.156 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -52.98 -57.74 9.33 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.944 2.498 . . . . 0.0 113.126 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.01 -33.36 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.626 -1.296 . . . . 0.0 112.702 -171.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.06 26.83 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 123.688 0.795 . . . . 0.0 112.641 166.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -56.88 -35.28 68.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.499 1.92 . . . . 0.0 114.521 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.15 -42.28 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.361 -1.462 . . . . 0.0 112.791 172.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.9 -28.7 22.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.256 -1.528 . . . . 0.0 112.257 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.404 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 9.0 pt -90.59 -24.23 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.144 -2.848 . . . . 0.0 117.243 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -70.84 -92.11 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.309 -2.119 . . . . 0.0 112.799 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -94.71 74.38 3.67 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.328 2.331 . . . . 0.0 110.593 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -171.5 -87.5 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.245 1.018 . . . . 0.0 111.894 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -147.3 101.75 3.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.299 -1.501 . . . . 0.0 111.769 -162.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' CG ' ' HH ' ' A' ' 83' ' ' TYR . 3.1 mp0 -86.15 -30.02 22.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.399 -2.063 . . . . 0.0 111.069 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -50.05 -28.76 7.56 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 128.041 2.536 . . . . 0.0 115.248 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.78 -40.68 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.606 1.962 . . . . 0.0 111.339 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -21.41 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.73 -49.04 77.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.535 1.534 . . . . 0.0 114.275 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.45 96.42 7.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.074 1.75 . . . . 0.0 107.585 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -61.81 -22.83 65.8 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 -169.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.84 -15.55 56.06 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 122.54 2.427 . . . . 0.0 112.535 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -73.25 -51.91 15.94 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.91 -50.95 60.08 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.544 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.93 -53.33 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 124.903 1.281 . . . . 0.0 110.658 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.15 -20.26 64.02 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.817 -0.552 . . . . 0.0 111.986 -170.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -86.19 -24.16 26.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.794 1.638 . . . . 0.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -72.71 -25.39 61.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.619 -2.551 . . . . 0.0 111.42 171.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -76.65 -32.84 58.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.706 -1.871 . . . . 0.0 115.129 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -46.06 -42.53 13.56 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.202 2.201 . . . . 0.0 115.346 164.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.0 -30.88 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 126.783 2.033 . . . . 0.0 114.251 170.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.81 35.12 5.71 Favored Glycine 0 N--CA 1.429 -1.774 0 O-C-N 120.499 -1.375 . . . . 0.0 111.691 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.47 121.94 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -141.67 167.11 22.92 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.823 2.049 . . . . 0.0 106.698 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.275 35.4 m80 -137.33 -115.61 0.16 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.552 -1.342 . . . . 0.0 113.842 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.83 61.76 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 127.59 2.356 . . . . 0.0 115.993 -167.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.02 -8.4 60.47 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 126.646 2.069 . . . . 0.0 112.663 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -135.15 173.21 11.97 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.078 1.351 . . . . 0.0 111.569 -167.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 166.91 8.23 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.647 1.979 . . . . 0.0 112.617 166.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -84.25 113.57 21.2 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.725 -1.234 . . . . 0.0 108.543 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -109.93 155.13 22.14 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.59 -28.75 59.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -166.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.59 -37.34 86.95 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.557 -1.34 . . . . 0.0 112.622 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.2 m -71.31 18.6 0.07 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -96.0 -15.29 22.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.776 -1.827 . . . . 0.0 108.462 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -50.87 -49.67 58.69 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.189 -2.194 . . . . 0.0 115.167 157.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.55 -51.88 66.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.363 2.265 . . . . 0.0 114.554 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mt -46.84 -59.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.09 1.756 . . . . 0.0 114.331 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -84.0 -16.22 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.449 -1.407 . . . . 0.0 112.951 -165.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -72.03 -36.13 69.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.328 -1.483 . . . . 0.0 109.874 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.65 -28.23 64.64 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.22 113.25 25.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.514 1.526 . . . . 0.0 114.608 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -96.27 -158.06 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.002 -1.686 . . . . 0.0 110.239 169.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.04 -21.44 61.38 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.561 2.744 . . . . 0.0 112.592 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.39 -46.96 3.49 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.196 2.998 . . . . 0.0 115.628 167.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -63.81 1.16 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.283 1.833 . . . . 0.0 113.73 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -35.31 -63.75 0.32 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 130.279 3.432 . . . . 0.0 113.692 169.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -56.68 4.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 m -63.72 -47.58 80.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 130.678 3.591 . . . . 0.0 110.671 -172.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.02 -49.42 67.79 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.09 1.356 . . . . 0.0 108.531 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.86 -51.44 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 128.169 2.587 . . . . 0.0 111.578 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.45 -46.47 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -78.04 -45.61 23.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.003 -1.061 . . . . 0.0 113.386 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.84 135.03 18.06 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.043 1.401 . . . . 0.0 113.918 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -87.65 -35.86 17.78 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.34 -1.475 . . . . 0.0 113.661 -177.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -59.36 -38.12 79.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -164.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.73 -43.84 13.86 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.586 -1.321 . . . . 0.0 112.474 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -60.75 -51.37 69.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.925 1.69 . . . . 0.0 112.222 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.9 -45.67 88.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.21 -0.931 . . . . 0.0 112.29 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.6 -52.98 27.11 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.973 1.749 . . . . 0.0 114.583 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 p -74.23 -32.58 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 118.987 1.394 . . . . 0.0 113.804 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.26 -38.48 91.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.589 -1.945 . . . . 0.0 112.288 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -60.91 -37.55 82.66 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.054 1.342 . . . . 0.0 113.433 169.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.44 ' HH ' ' CG ' ' A' ' 24' ' ' GLU . 23.1 t80 -61.69 -49.64 75.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.663 -1.273 . . . . 0.0 111.968 168.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.14 -46.61 68.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.176 -1.577 . . . . 0.0 115.03 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.59 -30.58 64.51 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.614 -1.304 . . . . 0.0 113.579 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.5 mtt -85.94 -41.18 15.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.868 -1.77 . . . . 0.0 113.239 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -101.68 -74.51 0.62 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 111.847 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.43 -1.447 0 CA-C-N 120.83 1.65 . . . . 0.0 110.786 -173.012 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tptt . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 121.325 0.583 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -49.94 -29.01 7.57 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.275 -2.141 . . . . 0.0 114.453 164.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.6 -44.46 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 126.852 2.061 . . . . 0.0 111.991 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -51.28 -53.62 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 130.304 3.442 . . . . 0.0 112.511 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.9 m -53.7 -52.0 61.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 124.342 1.057 . . . . 0.0 112.861 172.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.7 t -66.39 -47.82 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -57.8 -37.59 74.03 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-O 123.329 1.538 . . . . 0.0 112.319 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.7 -50.24 63.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.534 2.334 . . . . 0.0 111.464 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.23 -54.28 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 119.968 1.258 . . . . 0.0 112.347 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.86 -39.38 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -63.81 -46.23 86.06 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.838 -1.789 . . . . 0.0 112.759 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.87 -29.89 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 121.421 -0.799 . . . . 0.0 111.495 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.49 45.92 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.992 -1.068 . . . . 0.0 113.425 168.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -51.34 -34.59 34.48 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.644 2.378 . . . . 0.0 115.286 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.77 -55.62 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.59 1.556 . . . . 0.0 110.756 171.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -29.03 50.3 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.74 -1.225 . . . . 0.0 112.829 -173.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 pt -77.62 -27.11 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 118.563 -2.586 . . . . 0.0 115.351 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -79.25 0.17 Allowed 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.309 -1.494 . . . . 0.0 109.411 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -53.08 20.74 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 135.158 5.383 . . . . 0.0 119.003 165.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -168.63 -68.95 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 122.179 2.263 . . . . 0.0 114.643 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -147.82 100.18 3.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.306 -1.496 . . . . 0.0 112.412 -160.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.2 -37.2 22.14 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.347 -1.471 . . . . 0.0 110.384 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -53.7 -13.78 0.76 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.88 -41.93 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.321 2.248 . . . . 0.0 112.233 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.54 -30.71 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.191 -2.193 . . . . 0.0 112.708 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.62 -39.81 0.36 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.259 3.024 . . . . 0.0 115.45 164.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -127.22 94.33 3.98 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.623 -3.103 . . . . 0.0 102.623 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -30.3 71.46 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.262 -2.149 . . . . 0.0 116.235 -151.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.86 -16.59 61.59 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.245 -2.159 . . . . 0.0 113.008 -171.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -69.02 -49.33 58.65 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 128.67 2.788 . . . . 0.0 110.795 172.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -58.23 -49.64 76.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.784 1.754 . . . . 0.0 111.884 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.07 -43.34 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.987 2.115 . . . . 0.0 111.017 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.22 70.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.256 1.979 . . . . 0.0 111.418 -172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -86.01 -33.54 21.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.29 2.636 . . . . 0.0 111.775 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.11 -42.68 91.1 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 118.677 -2.514 . . . . 0.0 112.592 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' HB3' ' A' ' 48' ' ' LYS . 19.5 m-80 -51.96 -55.41 20.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.487 -1.383 . . . . 0.0 114.466 176.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -34.04 -46.43 0.24 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 127.105 2.162 . . . . 0.0 116.822 167.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' HB ' HG21 ' A' ' 42' ' ' VAL . 10.5 mt -56.3 -38.48 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.98 1.712 . . . . 0.0 113.125 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.11 46.24 0.83 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 124.934 1.254 . . . . 0.0 111.449 -168.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG21 ' HB ' ' A' ' 40' ' ' ILE . 24.8 t -108.12 116.29 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 109.178 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.2 p -126.5 151.15 48.2 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 127.685 2.394 . . . . 0.0 108.403 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 49' ' ' LEU . 56.9 m170 -114.17 -118.86 0.31 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.251 -0.905 . . . . 0.0 109.429 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -76.16 85.53 3.0 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.473 -0.767 . . . . 0.0 112.203 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.56 -26.05 0.28 Allowed Glycine 0 N--CA 1.429 -1.768 0 O-C-N 116.798 -3.689 . . . . 0.0 121.629 -171.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -125.5 -165.07 1.36 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -167.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . 42.3 mmtm -92.42 -154.3 0.38 Allowed 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 123.388 2.813 . . . . 0.0 105.646 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 44' ' ' HIS . 63.1 tp -98.72 128.14 44.87 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 123.475 2.852 . . . . 0.0 109.284 160.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -91.07 169.64 10.7 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.505 -1.372 . . . . 0.0 110.513 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -71.29 -42.28 68.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.287 -1.508 . . . . 0.0 109.676 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -49.7 -37.52 29.36 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.829 2.052 . . . . 0.0 116.075 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -68.43 -0.64 5.18 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -168.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.67 -18.45 64.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.394 -1.441 . . . . 0.0 114.005 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -56.32 -54.45 45.35 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.367 -2.083 . . . . 0.0 113.834 160.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -57.33 -44.27 84.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.498 2.319 . . . . 0.0 115.657 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -47.58 -68.4 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 127.134 2.174 . . . . 0.0 114.169 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.63 -25.03 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.332 1.053 . . . . 0.0 113.547 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.5 m -65.84 -49.86 66.68 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.535 -1.353 . . . . 0.0 111.403 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -47.54 85.94 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.76 130.09 44.87 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.389 2.276 . . . . 0.0 114.732 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -108.15 -169.49 1.52 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.49 -1.382 . . . . 0.0 111.483 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -80.02 -26.93 39.6 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.4 -1.437 . . . . 0.0 111.787 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.28 -51.2 65.35 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.29 1.836 . . . . 0.0 113.237 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -53.54 -60.96 2.64 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 128.521 2.728 . . . . 0.0 114.336 172.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -32.99 -56.28 0.38 Allowed 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 165.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.209 -1.557 . . . . 0.0 113.043 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -60.76 -33.07 72.39 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.948 -1.72 . . . . 0.0 113.626 163.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.6 tp -78.01 -37.65 46.59 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.529 -2.607 . . . . 0.0 110.432 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.84 -40.76 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 124.972 1.309 . . . . 0.0 109.83 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.23 -45.56 92.81 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 171.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -69.38 -47.72 63.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.174 -1.579 . . . . 0.0 114.037 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -145.99 96.79 2.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.143 0.973 . . . . 0.0 112.157 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.2 -31.93 71.69 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.083 1.353 . . . . 0.0 113.394 169.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.85 -49.42 49.22 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 129.191 2.997 . . . . 0.0 116.001 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.35 -31.51 63.42 Favored Glycine 0 N--CA 1.43 -1.721 0 O-C-N 121.335 -0.853 . . . . 0.0 112.972 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -71.33 -50.53 31.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.103 1.361 . . . . 0.0 112.004 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.02 -46.2 71.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.663 1.185 . . . . 0.0 112.601 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.23 -52.13 13.62 Favored Glycine 0 N--CA 1.43 -1.709 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 167.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.22 -23.95 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.866 -1.373 . . . . 0.0 113.437 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.26 -45.71 92.06 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.873 1.669 . . . . 0.0 112.347 170.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -69.7 -26.09 64.19 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.973 -1.704 . . . . 0.0 114.057 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -68.48 -49.24 61.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.564 -1.335 . . . . 0.0 110.377 166.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp -50.23 -57.3 8.1 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 127.705 2.402 . . . . 0.0 115.126 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -34.5 -72.96 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.092 2.557 . . . . 0.0 116.417 154.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.7 mmt -82.71 -29.32 29.93 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 123.864 3.029 . . . . 0.0 114.483 -165.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.32 -73.26 0.57 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.929 -1.107 . . . . 0.0 112.423 -173.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.446 0 C-N-CA 118.21 -1.396 . . . . 0.0 108.088 -155.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt . . . . . 0 N--CA 1.431 -1.416 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.98 -41.47 35.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 117.897 -3.002 . . . . 0.0 108.562 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 mt -53.6 -27.76 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 128.202 2.601 . . . . 0.0 115.601 166.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.16 -56.92 15.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.033 -1.667 . . . . 0.0 113.848 161.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -65.05 -50.21 67.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.114 -0.991 . . . . 0.0 113.256 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.91 -50.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.201 2.2 . . . . 0.0 115.401 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -82.29 -9.29 59.53 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 112.745 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.8 -38.25 67.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.314 -1.491 . . . . 0.0 111.265 162.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.34 -60.02 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.041 1.336 . . . . 0.0 112.015 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.275 0.0 OUTLIER -66.65 -32.11 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.85 -1.781 . . . . 0.0 115.16 -175.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -71.29 -43.89 66.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.083 -2.26 . . . . 0.0 111.04 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.7 -32.99 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 121.174 -0.954 . . . . 0.0 110.236 -172.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.66 82.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.46 -1.4 . . . . 0.0 112.893 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -54.22 -36.77 63.86 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -65.86 -55.53 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.511 -1.993 . . . . 0.0 113.089 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -39.21 -57.36 1.35 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.304 2.242 . . . . 0.0 115.282 161.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.26 16.4 pt -76.53 -41.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 117.908 -2.995 . . . . 0.0 114.93 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -75.18 -33.87 61.48 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 116.976 -1.488 . . . . 0.0 113.776 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -110.85 13.86 22.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 122.035 2.198 . . . . 0.0 113.942 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -138.95 -80.95 0.31 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -150.03 112.86 4.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.382 -1.449 . . . . 0.0 114.751 -164.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.03 -47.95 81.54 Favored 'General case' 0 N--CA 1.43 -1.43 1 C-N-CA 131.712 4.005 . . . . 0.0 119.607 153.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -30.85 -44.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 167.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.21 -52.63 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 119.392 -2.067 . . . . 0.0 112.257 171.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -9.94 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.733 2.813 . . . . 0.0 118.179 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.65 -56.78 11.67 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 118.157 -2.839 . . . . 0.0 111.016 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -96.56 152.18 18.88 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.531 1.634 . . . . 0.0 107.415 170.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 mtm-85 -90.56 -31.2 16.81 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.419 -1.425 . . . . 0.0 111.307 -166.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.32 -12.76 15.04 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.924 2.089 . . . . 0.0 115.569 168.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.81 -51.55 5.03 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -43.29 -40.65 3.62 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 169.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -42.11 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 129.879 3.272 . . . . 0.0 112.761 -174.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.65 -53.57 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 117.44 -3.287 . . . . 0.0 116.098 158.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -61.44 -24.47 66.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.12 -26.79 48.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.917 1.287 . . . . 0.0 113.101 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.37 -32.18 73.41 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.588 -1.945 . . . . 0.0 113.593 171.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.06 -53.44 58.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.442 1.897 . . . . 0.0 115.895 171.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mt -46.69 -39.22 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.899 1.68 . . . . 0.0 112.109 164.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.86 43.39 7.7 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 124.451 1.024 . . . . 0.0 110.937 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -87.27 98.96 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p -103.06 -170.47 1.8 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.035 1.334 . . . . 0.0 107.821 -165.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.785 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 41.2 p-80 -160.09 -115.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.785 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 36.0 tt0 -83.34 77.5 9.78 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.958 -1.714 . . . . 0.0 110.577 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.47 -12.84 19.04 Favored Glycine 0 N--CA 1.431 -1.662 0 O-C-N 117.254 -3.404 . . . . 0.0 118.575 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -129.22 -168.73 1.98 Allowed 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.214 -1.168 . . . . 0.0 112.36 -165.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 54.9 mmtt -98.4 -175.12 3.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.063 2.145 . . . . 0.0 110.606 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.68 122.97 42.58 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.541 1.936 . . . . 0.0 106.892 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -109.67 168.35 9.47 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.88 -1.763 . . . . 0.0 108.655 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -77.14 -26.58 53.3 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 124.489 2.09 . . . . 0.0 111.174 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.67 -5.36 59.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.531 2.732 . . . . 0.0 114.689 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 p -79.3 18.27 0.71 Allowed 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.81 -1.806 . . . . 0.0 115.51 -166.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -64.36 -52.0 60.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.144 2.178 . . . . 0.0 113.941 -167.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -47.2 -37.3 10.05 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.19 -20.99 43.47 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.416 -1.428 . . . . 0.0 111.296 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.92 -56.18 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-O 117.815 -1.088 . . . . 0.0 112.129 167.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.39 -17.48 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 125.263 3.665 . . . . 0.0 115.296 -157.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.2 t -86.43 -17.29 34.69 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.185 -1.572 . . . . 0.0 111.257 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -76.43 -10.62 59.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.742 1.217 . . . . 0.0 113.628 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -107.56 138.08 44.43 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 127.091 2.157 . . . . 0.0 108.241 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -97.84 -157.25 0.58 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.125 -1.609 . . . . 0.0 108.509 173.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.16 -20.3 52.56 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.283 -2.136 . . . . 0.0 116.598 170.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.18 -27.85 66.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.42 -1.425 . . . . 0.0 111.585 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -57.72 -52.77 64.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.891 1.276 . . . . 0.0 112.254 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -48.0 -51.29 24.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.448 3.099 . . . . 0.0 114.132 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -50.12 46.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.119 -2.238 . . . . 0.0 115.022 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -39.13 -64.12 0.48 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.419 2.688 . . . . 0.0 115.334 165.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -38.0 -49.77 1.29 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 169.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.97 -28.08 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 125.225 1.41 . . . . 0.0 110.641 -169.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.92 -36.49 41.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.237 1.415 . . . . 0.0 110.062 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -90.73 -46.27 8.35 Favored 'General case' 0 N--CA 1.428 -1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 113.371 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -136.46 73.33 1.45 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.315 -1.49 . . . . 0.0 111.544 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.87 -33.56 72.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.33 1.452 . . . . 0.0 110.951 172.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.49 -37.45 57.28 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.135 2.174 . . . . 0.0 115.017 175.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.94 -47.37 66.28 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.52 1.057 . . . . 0.0 114.037 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.95 -51.1 70.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.299 1.44 . . . . 0.0 111.304 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.27 -46.73 72.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.868 2.067 . . . . 0.0 114.571 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -60.76 7.3 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 125.37 1.462 . . . . 0.0 113.134 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -53.96 -43.29 69.76 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.033 1.742 . . . . 0.0 113.358 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -59.83 -44.68 93.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.044 0.938 . . . . 0.0 113.264 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.56 -39.0 92.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.846 -1.158 . . . . 0.0 113.916 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.56 -52.37 65.45 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.178 1.391 . . . . 0.0 112.651 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.07 -28.75 61.54 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.624 -1.297 . . . . 0.0 112.504 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.63 -67.74 0.35 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 166.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.15 -69.53 0.75 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.952 -1.092 . . . . 0.0 112.017 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.43 -1.453 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.93 -144.328 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 5' ' ' ILE . 15.5 tptm . . . . . 0 N--CA 1.43 -1.445 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -47.53 -8.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.695 3.22 . . . . 0.0 119.695 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' A' ' 3' ' ' LYS . 65.5 mt -94.04 -55.78 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 1 C-N-CA 133.201 4.6 . . . . 0.0 107.841 -174.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.31 -25.63 66.93 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.446 2.299 . . . . 0.0 108.271 170.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -61.3 -74.78 0.08 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.015 -2.928 . . . . 0.0 114.262 156.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -52.94 -36.31 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.297 0.1 OUTLIER -74.45 -37.68 63.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -41.5 -69.12 0.14 Allowed 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 115.854 -2.022 . . . . 0.0 114.086 147.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HB ' ' H ' ' A' ' 12' ' ' ILE . 14.1 mm -37.5 -71.42 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 123.315 2.78 . . . . 0.0 117.283 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' H ' ' HB ' ' A' ' 11' ' ' ILE . 80.2 mt -37.27 -43.46 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 130.81 3.644 . . . . 0.0 115.052 170.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 m -70.41 -57.2 5.07 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.116 -1.615 . . . . 0.0 111.935 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.86 -52.9 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 O-C-N 120.39 -1.443 . . . . 0.0 114.19 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.4 -49.15 13.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.685 3.217 . . . . 0.0 119.685 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -89.84 -25.56 20.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.28 -0.887 . . . . 0.0 109.232 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.18 -31.69 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 121.538 -0.726 . . . . 0.0 109.769 169.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -51.68 17.38 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.939 -1.725 . . . . 0.0 112.46 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.6 pt -70.68 -32.79 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -34.81 -67.39 0.14 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.635 2.374 . . . . 0.0 116.725 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -117.72 79.83 1.42 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.845 -1.784 . . . . 0.0 109.288 164.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -148.47 -95.64 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.419 -2.675 . . . . 0.0 105.846 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -126.25 140.51 52.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.631 -1.918 . . . . 0.0 111.304 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -84.44 -16.94 40.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.5 2.572 . . . . 0.0 109.884 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.88 -43.34 73.07 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.17 2.988 . . . . 0.0 111.923 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -19.12 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 172.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.303 1.0 OUTLIER -93.83 -35.7 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 120.605 1.548 . . . . 0.0 114.56 169.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -45.35 -46.63 13.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -101.46 143.68 31.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -81.42 -45.3 16.27 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 127.172 2.189 . . . . 0.0 112.707 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.64 -40.69 2.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.226 3.011 . . . . 0.0 115.29 175.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -79.69 -33.23 41.25 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.913 2.485 . . . . 0.0 111.212 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.28 -49.17 62.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 124.236 1.969 . . . . 0.0 108.841 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.49 -43.9 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.167 173.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.76 62.44 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.85 -14.78 25.72 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.513 -2.617 . . . . 0.0 115.435 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.55 -52.15 66.81 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 152.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -39.42 -41.81 1.0 Allowed 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 128.389 2.676 . . . . 0.0 117.569 160.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.79 -55.44 32.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 166.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -37.16 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.036 1.734 . . . . 0.0 113.602 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.62 24.71 7.65 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 121.282 -0.886 . . . . 0.0 112.721 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 m -59.33 125.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.951 -1.323 . . . . 0.0 113.956 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.1 p -126.01 160.02 31.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 122.969 1.366 . . . . 0.0 110.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -123.4 -138.67 0.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 166.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.34 112.25 5.09 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.555 -1.966 . . . . 0.0 111.827 178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.72 1.05 0.07 OUTLIER Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 120.664 3.025 . . . . 0.0 120.664 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -141.22 168.3 20.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.548 2.674 . . . . 0.0 108.646 -169.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -43.81 157.51 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.539 1.935 . . . . 0.0 115.921 156.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -81.27 146.65 30.32 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.67 2.486 . . . . 0.0 110.098 166.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.521 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.4 t-20 -114.16 175.36 5.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.861 1.264 . . . . 0.0 109.113 -164.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.44 -4.14 29.5 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 165.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -107.31 -7.16 16.81 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.998 1.726 . . . . 0.0 112.342 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.7 p -78.46 23.84 0.29 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.899 2.079 . . . . 0.0 115.628 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -74.15 -24.84 59.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.984 -2.322 . . . . 0.0 112.401 -165.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -58.01 -52.66 64.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.116 2.566 . . . . 0.0 114.294 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -48.17 -32.24 6.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.862 2.865 . . . . 0.0 118.519 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.44 -69.08 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.028 1.731 . . . . 0.0 114.689 159.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.288 3.3 p -99.91 -8.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -155.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.9 p -60.24 -53.2 60.55 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.438 -3.289 . . . . 0.0 113.136 165.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -51.64 -15.7 0.51 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -94.76 127.37 40.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 123.521 1.629 . . . . 0.0 112.122 -170.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -116.85 -171.53 2.04 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.736 1.731 . . . . 0.0 113.151 -166.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -51.97 -46.94 65.0 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.333 2.253 . . . . 0.0 112.586 168.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -49.49 -42.3 43.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 128.158 2.583 . . . . 0.0 115.798 172.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -56.24 15.29 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.438 1.495 . . . . 0.0 110.036 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -51.49 -53.91 32.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 128.166 3.841 . . . . 0.0 112.689 -158.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -89.06 -25.8 21.74 Favored 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 108.388 -4.005 . . . . 0.0 110.75 -169.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.73 -35.76 79.34 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.905 -1.747 . . . . 0.0 112.32 173.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.47 -52.29 16.44 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.874 2.069 . . . . 0.0 111.949 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.5 mm -79.1 -6.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 1 C-N-CA 134.445 5.098 . . . . 0.0 108.772 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.12 -59.98 2.56 Favored 'General case' 0 N--CA 1.429 -1.487 1 O-C-N 115.332 -4.605 . . . . 0.0 112.865 148.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -76.52 -46.91 24.55 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -162.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.02 111.53 16.7 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.224 -1.548 . . . . 0.0 111.025 -172.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.46 -51.85 4.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.456 -1.403 . . . . 0.0 111.396 -170.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.79 -22.54 53.54 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -159.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.06 -34.58 37.21 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.01 -1.681 . . . . 0.0 113.081 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -69.61 -41.95 75.02 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.235 -1.156 . . . . 0.0 110.811 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -48.85 -51.92 27.03 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.948 2.099 . . . . 0.0 113.227 169.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.91 -59.09 4.58 Favored Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 126.812 2.149 . . . . 0.0 117.047 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.38 -38.79 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 121.268 -1.136 . . . . 0.0 113.158 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.59 -50.54 72.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.377 -1.452 . . . . 0.0 113.761 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -70.77 -34.53 71.91 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.471 -1.393 . . . . 0.0 113.189 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.47 81.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.44 -1.412 . . . . 0.0 111.212 172.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.5 tp -61.78 -35.92 79.56 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.634 -2.541 . . . . 0.0 114.561 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.16 -43.66 97.67 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.51 -1.369 . . . . 0.0 113.42 173.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.28 -71.55 0.11 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.464 2.705 . . . . 0.0 117.38 163.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.394 23.7 p90 -79.41 -72.03 0.41 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 125.51 3.777 . . . . 0.0 113.148 -158.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.466 0 CA-C-O 124.073 1.892 . . . . 0.0 108.492 -167.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -56.58 -31.37 64.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.033 1.333 . . . . 0.0 114.418 167.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -63.5 -50.14 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.104 2.561 . . . . 0.0 112.447 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -32.07 73.36 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 127.323 2.249 . . . . 0.0 112.772 171.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -57.22 -58.59 7.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.55 -3.219 . . . . 0.0 113.914 161.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.88 -43.55 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -62.59 -38.89 91.88 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.767 -1.833 . . . . 0.0 114.009 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -48.59 -59.53 3.44 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 159.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.18 -54.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 126.561 1.944 . . . . 0.0 113.595 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt -66.55 -39.79 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 -175.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -66.93 -51.92 49.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.348 -1.47 . . . . 0.0 112.512 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -51.55 -50.42 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.526 1.53 . . . . 0.0 114.585 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.62 10.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.61 1.564 . . . . 0.0 115.199 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.65 -44.6 69.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.756 2.422 . . . . 0.0 112.184 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.9 -34.27 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.355 -1.466 . . . . 0.0 111.938 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.97 -43.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.115 -1.615 . . . . 0.0 110.457 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 11.7 pt -75.29 -27.44 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 114.998 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -71.4 -63.78 1.05 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 122.948 2.613 . . . . 0.0 109.164 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -101.39 17.96 21.3 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -138.57 -75.09 0.38 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.222 -2.174 . . . . 0.0 113.786 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -147.96 104.77 3.6 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.474 1.488 . . . . 0.0 112.721 -161.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -84.98 -8.25 58.81 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.467 -2.021 . . . . 0.0 111.573 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.79 -4.02 5.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.954 2.502 . . . . 0.0 114.011 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -98.26 -19.52 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.903 -2.373 . . . . 0.0 110.244 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.79 -23.45 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 O-C-N 119.348 -2.095 . . . . 0.0 113.178 -171.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -46.91 -43.6 19.05 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 128.193 2.597 . . . . 0.0 117.383 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -120.69 100.49 7.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -67.99 -16.24 63.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -155.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.7 62.12 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.127 -2.233 . . . . 0.0 114.718 169.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -72.33 -35.31 68.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.526 -1.359 . . . . 0.0 112.79 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . 0.28 0.0 OUTLIER -68.86 -50.36 50.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.315 . . . . 0.0 110.987 179.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.0 mt -50.53 -48.49 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 129.154 2.982 . . . . 0.0 112.274 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.42 -31.31 53.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.833 -1.792 . . . . 0.0 108.047 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.489 -1.38 0 O-C-N 118.895 -2.378 . . . . 0.0 114.997 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.05 -31.2 64.27 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.939 -2.35 . . . . 0.0 111.141 166.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.23 -47.28 75.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.86 -37.8 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.082 -1.636 . . . . 0.0 112.107 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.2 41.69 5.15 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 124.144 0.878 . . . . 0.0 111.226 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.59 136.38 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.196 0.999 . . . . 0.0 108.796 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -114.22 173.76 6.28 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.429 -2.045 . . . . 0.0 109.613 -159.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.619 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 19.2 p-80 -157.03 -119.24 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 174.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.619 ' H ' ' CD2' ' A' ' 44' ' ' HIS 0.253 27.1 tt0 -84.81 86.69 7.32 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.899 -2.376 . . . . 0.0 107.938 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.85 5.12 8.39 Favored Glycine 0 N--CA 1.43 -1.718 0 N-CA-C 119.099 2.4 . . . . 0.0 119.099 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 62.5 mtm180 -140.38 173.86 11.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 126.823 2.049 . . . . 0.0 108.53 -162.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -94.85 175.57 6.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.106 2.23 . . . . 0.0 109.396 167.421 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 tp -93.75 124.12 37.53 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.129 -2.232 . . . . 0.0 113.711 -146.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -105.43 157.52 17.29 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.774 1.63 . . . . 0.0 112.798 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -95.6 -25.95 15.96 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 -163.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -78.26 -20.04 52.46 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.244 -2.16 . . . . 0.0 111.158 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -72.01 9.37 0.96 Allowed 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.58 -14.32 62.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.451 -2.03 . . . . 0.0 111.843 160.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -60.54 -46.63 89.48 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.27 -1.519 . . . . 0.0 111.399 164.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -56.74 -31.91 65.04 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.57 -59.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 CA-C-O 124.151 1.929 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.36 -11.39 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.293 2.237 . . . . 0.0 112.841 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -50.7 -37.11 39.44 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.163 -2.211 . . . . 0.0 116.519 153.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.51 -36.21 10.39 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.959 1.303 . . . . 0.0 112.461 -166.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.92 109.81 18.41 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.046 0.927 . . . . 0.0 111.125 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.61 -157.38 0.61 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.557 2.343 . . . . 0.0 107.146 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -65.25 -21.82 66.78 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.704 -2.498 . . . . 0.0 114.71 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -50.47 -39.1 47.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -46.84 70.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.243 2.217 . . . . 0.0 110.899 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -50.37 -57.43 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.956 1.702 . . . . 0.0 112.639 173.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -56.72 -47.77 79.24 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.1 m -67.68 -43.61 79.77 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 129.849 3.26 . . . . 0.0 112.7 -168.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.28 -24.28 20.95 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.544 1.538 . . . . 0.0 109.149 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.65 -52.37 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 122.213 2.279 . . . . 0.0 111.156 166.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -40.47 -57.55 1.78 Allowed 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.062 2.145 . . . . 0.0 115.976 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.71 -44.97 9.14 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -133.4 65.41 1.59 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 119.512 1.051 . . . . 0.0 111.808 -168.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.27 -34.94 79.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.28 -1.512 . . . . 0.0 111.955 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -49.51 -36.52 23.43 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.752 2.821 . . . . 0.0 115.019 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.87 -53.87 34.7 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 125.004 1.288 . . . . 0.0 113.278 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -62.41 -45.99 90.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.175 1.39 . . . . 0.0 112.497 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.93 -48.45 80.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.01 1.724 . . . . 0.0 114.663 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.2 68.35 Favored Glycine 0 N--CA 1.429 -1.791 0 O-C-N 120.011 -1.681 . . . . 0.0 114.207 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.418 3.5 p -60.62 -41.05 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 114.971 -0.614 . . . . 0.0 112.243 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.09 -46.88 85.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.982 1.313 . . . . 0.0 113.857 170.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 ttm180 -59.66 -39.83 85.7 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.677 -1.889 . . . . 0.0 114.264 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.3 -50.45 63.6 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.892 1.677 . . . . 0.0 110.718 173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.36 -43.08 74.73 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.161 2.185 . . . . 0.0 114.836 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.46 -48.46 80.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.389 1.475 . . . . 0.0 113.545 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -70.6 -62.7 1.29 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.863 1.665 . . . . 0.0 114.728 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -78.03 -69.92 0.52 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.138 1.375 . . . . 0.0 112.712 -165.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.435 0 C-N-CA 117.884 -1.526 . . . . 0.0 110.262 -149.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 tptp . . . . . 0 N--CA 1.429 -1.493 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.51 -6.94 33.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.986 -1.697 . . . . 0.0 114.636 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.46 -64.14 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 127.86 2.464 . . . . 0.0 114.026 155.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -39.71 -57.78 1.46 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 130.007 3.323 . . . . 0.0 113.679 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 m -54.79 -65.63 0.54 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.481 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.75 -40.34 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.993 -1.692 . . . . 0.0 111.185 -167.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.416 1.086 . . . . 0.0 113.479 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.54 -43.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 168.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.92 -48.92 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.019 1.327 . . . . 0.0 111.204 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.9 mt -49.18 -54.19 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 127.746 2.418 . . . . 0.0 111.98 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 m -51.23 -70.01 0.1 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.909 2.084 . . . . 0.0 115.379 170.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.29 -29.08 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -54.34 32.75 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.315 -1.491 . . . . 0.0 113.651 165.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -54.47 -50.23 68.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.38 -28.6 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.554 1.141 . . . . 0.0 112.534 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -59.88 3.63 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.743 -1.848 . . . . 0.0 113.928 164.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -76.9 -32.3 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -167.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -44.58 -65.33 0.53 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -116.93 72.77 0.84 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.652 -1.28 . . . . 0.0 111.682 173.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -170.26 -98.54 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -121.59 130.58 53.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.551 1.941 . . . . 0.0 111.025 -176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -90.23 -14.91 32.42 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.158 1.783 . . . . 0.0 110.756 164.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.54 -25.96 67.67 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 113.074 -163.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -49.48 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 128.077 2.551 . . . . 0.0 111.161 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -61.66 -33.84 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.525 -1.359 . . . . 0.0 114.558 166.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.91 -49.45 77.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.474 1.488 . . . . 0.0 114.408 165.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -98.14 83.46 3.1 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.643 -1.911 . . . . 0.0 107.748 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -28.29 -44.21 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 131.417 3.887 . . . . 0.0 119.237 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.04 62.54 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.827 -1.171 . . . . 0.0 113.003 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -87.72 -17.53 31.52 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.704 1.202 . . . . 0.0 109.813 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.72 -67.49 0.26 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.477 -2.64 . . . . 0.0 114.13 156.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -34.52 -53.01 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 126.17 2.89 . . . . 0.0 115.578 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.252 . . -81.99 -11.52 58.8 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 111.146 -2.752 . . . . 0.0 116.666 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.17 -48.54 73.1 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.048 -2.282 . . . . 0.0 110.756 156.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -53.94 -25.11 18.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -68.14 -46.2 71.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.539 1.936 . . . . 0.0 113.613 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -54.2 -58.21 8.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.197 2.199 . . . . 0.0 114.33 157.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.4 -26.62 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 1 O-C-N 116.159 -4.088 . . . . 0.0 119.061 -170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.06 1.95 28.33 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.891 -2.381 . . . . 0.0 115.791 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.18 117.55 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 C-N-CA 125.69 1.596 . . . . 0.0 113.135 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -124.43 141.83 51.78 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.644 -1.285 . . . . 0.0 110.9 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -115.62 -137.53 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.536 -1.353 . . . . 0.0 110.131 171.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -45.09 77.64 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 148.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.66 -26.23 2.76 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 127.475 2.464 . . . . 0.0 115.82 162.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -125.72 172.43 9.81 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.593 1.557 . . . . 0.0 107.835 -167.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -74.81 165.41 25.29 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.718 1.607 . . . . 0.0 110.482 172.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.83 127.4 34.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.74 1.216 . . . . 0.0 112.205 -161.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.04 -175.17 4.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.705 -1.872 . . . . 0.0 111.184 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.82 -46.42 8.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.319 -1.488 . . . . 0.0 109.895 173.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.12 -7.41 35.88 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.079 2.252 . . . . 0.0 117.079 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -76.6 -4.74 44.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.011 -1.681 . . . . 0.0 115.285 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . 0.257 1.4 p90 -21.67 -53.09 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 119.239 3.052 . . . . 0.0 119.239 154.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -53.9 -41.73 67.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.833 1.778 . . . . 0.0 115.415 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -69.69 -51.97 29.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.405 1.082 . . . . 0.0 111.681 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.2 -39.96 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.784 0.802 . . . . 0.0 110.125 -168.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 m -74.71 -19.02 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.968 2.107 . . . . 0.0 113.784 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.9 m -65.84 -51.88 55.21 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.506 -1.371 . . . . 0.0 111.597 164.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.27 -45.22 73.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.2 mt -52.17 95.82 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 118.987 -2.321 . . . . 0.0 117.182 153.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -168.7 1.45 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.642 2.777 . . . . 0.0 108.593 159.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -74.38 -32.11 62.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.104 -2.247 . . . . 0.0 113.927 -151.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.4 -54.88 6.69 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.216 2.606 . . . . 0.0 112.854 165.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.35 -46.05 61.42 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.86 2.464 . . . . 0.0 112.597 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -56.46 -53.44 57.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.879 1.672 . . . . 0.0 111.993 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -66.74 -26.91 67.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.072 -1.017 . . . . 0.0 112.102 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.5 m -72.63 -37.86 67.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.448 1.499 . . . . 0.0 112.183 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -57.2 6.47 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 126.736 2.014 . . . . 0.0 114.053 169.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.28 -48.15 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 130.725 3.61 . . . . 0.0 113.997 165.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.25 -50.17 75.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.173 -2.204 . . . . 0.0 113.119 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -85.18 -46.32 11.19 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -136.01 62.64 1.61 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.37 -1.456 . . . . 0.0 113.136 -166.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -67.01 -27.78 67.71 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.348 -1.47 . . . . 0.0 114.427 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.66 -40.63 79.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.172 -1.58 . . . . 0.0 113.064 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.03 12.43 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 120.292 -1.505 . . . . 0.0 112.662 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -57.26 -56.67 18.83 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.91 1.684 . . . . 0.0 114.456 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -75.94 -20.39 57.99 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.134 -1.604 . . . . 0.0 112.372 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.45 -46.21 56.84 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.701 -1.249 . . . . 0.0 112.413 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 29.1 m -67.43 -39.0 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.209 175.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -58.03 -52.48 65.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.241 1.816 . . . . 0.0 113.64 174.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -63.37 -41.64 98.82 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 119.85 -1.781 . . . . 0.0 113.115 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -46.06 87.72 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.752 -1.218 . . . . 0.0 111.232 171.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.14 -40.9 47.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.23 -2.169 . . . . 0.0 115.566 173.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.46 -21.44 60.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.277 -1.514 . . . . 0.0 110.163 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 tpt -91.18 -40.85 11.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.329 1.852 . . . . 0.0 115.29 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.308 14.8 p90 -94.21 -76.11 0.49 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 121.715 2.052 . . . . 0.0 109.396 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.43 -1.467 0 CA-C-N 123.263 2.756 . . . . 0.0 109.443 -176.326 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 6' ' ' ASP . 10.2 tttt . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -90.17 -27.55 19.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.938 -1.101 . . . . 0.0 108.35 159.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.9 -55.5 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.616 1.567 . . . . 0.0 110.418 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 2.5 t70 -40.44 -59.97 1.21 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 160.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.0 m -56.18 -36.69 68.64 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -88.18 -36.04 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 119.753 -1.842 . . . . 0.0 109.554 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -75.67 -9.15 58.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.174 -2.204 . . . . 0.0 113.073 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.57 -57.51 8.93 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 121.959 2.163 . . . . 0.0 108.559 162.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.59 -49.32 6.42 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 CA-C-O 124.065 1.888 . . . . 0.0 114.862 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.38 -52.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.432 1.893 . . . . 0.0 110.806 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -61.02 -50.82 71.81 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.1 -1.625 . . . . 0.0 111.985 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.48 -9.92 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 119.805 -1.809 . . . . 0.0 112.577 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.09 -36.08 35.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.845 -1.159 . . . . 0.0 110.744 168.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -73.08 -46.57 50.76 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.463 1.905 . . . . 0.0 110.03 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.44 -36.16 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.176 1.391 . . . . 0.0 111.907 172.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.58 -62.57 1.72 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.627 -1.295 . . . . 0.0 114.269 170.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.265 12.0 pt -77.37 -36.94 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -162.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -49.42 -62.58 1.47 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.879 1.799 . . . . 0.0 114.309 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -113.03 72.96 0.79 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.386 3.474 . . . . 0.0 107.34 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -171.64 -94.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.914 1.286 . . . . 0.0 108.642 150.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt-85 -129.18 152.55 48.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.542 -1.349 . . . . 0.0 112.758 -168.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.17 -21.82 24.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.908 1.814 . . . . 0.0 109.632 155.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -46.65 -21.37 0.19 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.978 2.955 . . . . 0.0 118.978 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.39 -51.37 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.683 -2.511 . . . . 0.0 112.853 166.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.349 16.2 m -67.64 -5.03 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 129.841 3.256 . . . . 0.0 115.777 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -72.56 -13.61 61.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.269 1.952 . . . . 0.0 116.269 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -144.27 150.51 38.01 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.0 -37.37 14.37 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.26 -2.15 . . . . 0.0 108.987 -150.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.94 33.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 159.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -57.74 -54.21 49.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.999 2.52 . . . . 0.0 114.978 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.26 -58.12 1.24 Allowed 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.254 2.222 . . . . 0.0 115.477 166.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.54 -40.97 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.9 3.28 . . . . 0.0 110.868 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.76 70.35 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 121.725 -0.61 . . . . 0.0 111.225 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -74.54 -35.43 63.11 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.88 -1.762 . . . . 0.0 110.799 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.53 -33.62 71.61 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.533 -2.605 . . . . 0.0 114.753 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.2 -53.87 47.6 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 126.958 2.103 . . . . 0.0 113.934 162.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -35.08 -55.7 0.6 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 162.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -50.82 -40.17 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.63 29.13 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.22 131.15 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 121.46 2.63 . . . . 0.0 113.029 165.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -148.06 165.41 30.89 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.107 1.763 . . . . 0.0 108.297 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.335 0.6 OUTLIER -123.75 -143.4 0.32 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 121.9 -0.5 . . . . 0.0 111.17 171.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.24 79.99 0.99 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.838 -1.789 . . . . 0.0 114.03 -173.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.88 -16.6 60.95 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.093 -1.629 . . . . 0.0 113.777 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -140.12 160.34 40.16 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.84 1.32 . . . . 0.0 108.205 -174.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.37 162.31 10.23 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.214 -2.179 . . . . 0.0 114.945 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 tp -34.44 122.67 0.51 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 118.764 2.876 . . . . 0.0 118.764 146.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -111.5 -171.94 1.94 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.798 -1.926 . . . . 0.0 105.798 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -78.07 -49.57 13.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 123.91 1.814 . . . . 0.0 108.371 167.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.32 -10.36 50.11 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.327 3.051 . . . . 0.0 116.179 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.8 p -71.46 3.57 3.73 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.34 1.856 . . . . 0.0 115.099 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.53 -49.41 54.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 128.166 2.587 . . . . 0.0 110.829 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -57.08 1.8 Allowed 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.494 2.318 . . . . 0.0 115.531 167.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 57' ' ' ILE . 16.6 tptt -44.13 -72.49 0.06 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.157 2.183 . . . . 0.0 115.505 168.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.419 ' H ' ' HB3' ' A' ' 56' ' ' LYS . 33.0 mt -46.92 -53.56 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.257 2.223 . . . . 0.0 112.934 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.26 -21.31 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.985 -1.697 . . . . 0.0 113.628 -168.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.1 p -75.27 -53.41 8.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.276 1.431 . . . . 0.0 111.286 172.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -44.05 -33.28 1.41 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.558 3.169 . . . . 0.0 119.558 166.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.43 120.72 22.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 120.214 1.37 . . . . 0.0 107.893 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.62 -157.24 0.11 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.372 -1.455 . . . . 0.0 109.568 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -83.71 -34.98 24.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.828 -1.795 . . . . 0.0 110.325 168.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -59.14 -51.4 70.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 122.829 1.3 . . . . 0.0 111.946 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.35 -47.87 65.83 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.257 3.023 . . . . 0.0 112.349 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -49.06 -50.07 38.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 124.14 1.924 . . . . 0.0 112.995 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -52.87 8.15 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.186 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 m -38.71 -55.12 1.51 Allowed 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.332 1.878 . . . . 0.0 113.847 168.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.63 -72.36 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.63 -32.69 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-O 124.12 1.914 . . . . 0.0 106.572 -152.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.7 -39.08 27.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 130.351 3.46 . . . . 0.0 111.62 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.23 -46.0 68.45 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.534 -1.354 . . . . 0.0 111.574 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -136.41 99.9 4.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.15 0.976 . . . . 0.0 109.1 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -85.42 -37.79 19.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.434 1.494 . . . . 0.0 114.0 -173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.18 -47.74 45.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.414 2.286 . . . . 0.0 116.576 -167.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.57 -33.44 58.3 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.332 0.968 . . . . 0.0 113.851 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.53 -49.34 60.31 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 124.714 1.205 . . . . 0.0 111.332 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.6 -43.99 97.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.184 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.2 -41.95 62.06 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 126.181 1.848 . . . . 0.0 117.658 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.545 -1.562 . . . . 0.0 111.116 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.24 -42.11 85.64 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.666 -1.271 . . . . 0.0 112.454 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -65.44 -48.55 72.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -56.89 -49.55 75.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 124.598 1.159 . . . . 0.0 112.149 177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.69 -31.32 70.59 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.687 1.595 . . . . 0.0 113.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.42 -20.87 33.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.56 -1.338 . . . . 0.0 112.617 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.5 mtm -95.13 -39.89 9.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 122.276 2.307 . . . . 0.0 112.69 168.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.98 -75.67 0.37 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.568 -1.332 . . . . 0.0 111.272 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.429 -1.479 0 C-N-CA 116.926 -1.91 . . . . 0.0 109.816 -160.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm . . . . . 0 N--CA 1.43 -1.448 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.18 -27.59 0.42 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 168.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.44 -43.83 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 127.077 2.151 . . . . 0.0 112.572 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.2 -62.73 0.96 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.407 1.883 . . . . 0.0 114.438 158.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 120.579 1.536 . . . . 0.0 114.577 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.4 t -87.77 -40.24 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.591 -1.943 . . . . 0.0 110.977 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -69.95 -23.56 63.21 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.566 -1.959 . . . . 0.0 112.571 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.92 -52.21 60.9 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.429 1.891 . . . . 0.0 113.2 166.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -45.24 -51.32 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 168.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.29 -59.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.432 3.093 . . . . 0.0 111.596 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -56.0 -52.56 63.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.763 1.625 . . . . 0.0 113.308 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -70.25 -46.39 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.817 -1.177 . . . . 0.0 111.192 -173.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.81 -53.7 5.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 171.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -72.66 -37.22 68.0 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.175 0.512 . . . . 0.0 109.647 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.51 -44.56 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.599 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -46.58 12.96 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 121.85 2.114 . . . . 0.0 110.62 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.325 6.1 pt -73.31 -38.1 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.801 -1.812 . . . . 0.0 115.579 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -51.83 67.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 115.279 -2.296 . . . . 0.0 115.568 -173.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -115.48 19.22 15.57 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 122.41 2.368 . . . . 0.0 116.214 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 t -126.77 -90.38 0.53 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.325 -2.109 . . . . 0.0 111.846 158.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -116.88 119.76 36.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.696 -1.877 . . . . 0.0 113.35 -153.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.22 -49.38 7.03 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 123.948 1.832 . . . . 0.0 112.931 -170.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -25.3 -46.06 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.424 4.69 . . . . 0.0 118.489 172.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.42 -40.64 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.638 -1.914 . . . . 0.0 115.696 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.385 4.6 p -68.46 -32.88 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.618 -1.301 . . . . 0.0 112.851 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -44.06 -36.13 2.41 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 170.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -138.09 107.94 6.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.88 2.072 . . . . 0.0 108.613 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -88.4 -21.41 24.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.46 -2.65 . . . . 0.0 112.487 -136.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -7.14 3.22 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 117.442 -3.286 . . . . 0.0 117.808 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.9 -22.42 20.91 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.268 -2.77 . . . . 0.0 110.785 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.56 -50.5 25.13 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.802 -1.999 . . . . 0.0 109.067 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -55.34 -55.55 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.139 1.376 . . . . 0.0 108.613 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.73 65.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.362 -1.462 . . . . 0.0 114.403 -165.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -82.29 -16.21 50.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.282 -2.761 . . . . 0.0 109.777 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.31 0.5 OUTLIER -82.03 -14.91 55.23 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.925 -1.109 . . . . 0.0 113.691 170.651 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.95 -19.21 23.52 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.323 -2.11 . . . . 0.0 112.273 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -40.26 -41.02 1.25 Allowed 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 155.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 127.481 2.313 . . . . 0.0 116.245 168.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.81 10.03 15.23 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.959 -1.088 . . . . 0.0 112.483 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.3 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 127.095 2.158 . . . . 0.0 112.406 160.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -120.42 151.46 39.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 164.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.268 61.4 m80 -133.71 -134.72 0.17 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.866 174.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.47 78.2 0.56 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -157.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.62 -21.63 43.57 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 119.271 -2.143 . . . . 0.0 111.45 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -142.38 173.58 11.4 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 123.756 0.822 . . . . 0.0 110.922 -153.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -63.91 178.93 0.57 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.825 -1.797 . . . . 0.0 110.929 151.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.95 157.7 29.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.544 -3.223 . . . . 0.0 111.293 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -112.07 177.25 4.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -76.86 -48.84 17.19 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.57 -23.96 53.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.99 3.716 . . . . 0.0 115.927 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -63.85 -7.94 9.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.003 -1.686 . . . . 0.0 114.202 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -71.49 -14.94 62.28 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.346 1.858 . . . . 0.0 113.281 -173.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER -58.46 -57.85 11.13 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 165.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -83.15 -7.82 59.58 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.321 2.248 . . . . 0.0 114.252 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -78.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 136.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.4 -38.05 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 116.936 -3.603 . . . . 0.0 114.906 -153.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -51.58 62.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.039 2.136 . . . . 0.0 113.494 -169.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -40.97 -31.82 0.2 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 169.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.28 150.37 38.55 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.466 1.507 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -123.5 -156.73 0.72 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.27 -1.518 . . . . 0.0 107.982 -156.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -81.86 -31.3 31.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.264 -1.523 . . . . 0.0 111.386 168.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -44.16 -53.54 6.4 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.705 2.002 . . . . 0.0 113.019 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -50.14 -61.28 2.25 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.352 2.661 . . . . 0.0 110.646 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -36.57 -65.66 0.27 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.718 2.807 . . . . 0.0 115.351 -175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -85.47 -30.6 23.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.372 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -52.86 -52.25 58.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.452 1.933 . . . . 0.0 112.361 173.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 tp -54.24 -60.5 3.25 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.535 2.334 . . . . 0.0 112.295 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.2 -35.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 124.924 2.297 . . . . 0.0 105.917 -157.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.87 -47.09 82.06 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 131.283 3.833 . . . . 0.0 111.836 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -74.03 -45.39 49.94 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.83 -1.168 . . . . 0.0 112.1 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -135.79 100.9 4.59 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.323 -0.861 . . . . 0.0 112.157 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.17 -38.65 30.92 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -76.53 -42.81 41.8 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -154.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.59 90.35 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 120.561 -1.337 . . . . 0.0 114.465 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.02 -51.85 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.85 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.72 -32.89 74.48 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.29 -1.506 . . . . 0.0 113.037 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.22 82.7 Favored Glycine 0 N--CA 1.43 -1.723 0 C-N-CA 125.299 1.428 . . . . 0.0 115.727 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m -83.73 -36.58 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.975 -1.309 . . . . 0.0 110.083 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.51 -42.72 82.37 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.659 1.183 . . . . 0.0 113.139 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -57.83 -46.21 85.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.664 -1.273 . . . . 0.0 112.67 174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -40.6 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.865 -1.147 . . . . 0.0 112.537 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 tp -49.45 -47.53 48.21 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 121.23 1.832 . . . . 0.0 115.255 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.51 -35.59 80.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 123.937 0.895 . . . . 0.0 112.245 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.6 ttm -73.63 -45.44 52.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.387 22.8 p90 -83.18 -72.91 0.43 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 120.511 -1.368 . . . . 0.0 113.347 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 CA-C-N 121.745 2.066 . . . . 0.0 111.432 -169.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.98 -37.69 77.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.641 1.176 . . . . 0.0 112.355 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.27 -53.21 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 126.681 1.992 . . . . 0.0 111.154 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -36.85 -54.64 0.92 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 128.863 2.865 . . . . 0.0 116.896 159.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 m -63.45 -51.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 111.664 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.45 ' HA ' HG12 ' A' ' 11' ' ' ILE . 59.1 t -58.3 -46.26 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -37.68 88.18 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.748 -2.47 . . . . 0.0 112.332 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -58.93 -39.52 81.86 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 126.969 2.108 . . . . 0.0 114.938 169.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 8' ' ' VAL . 19.6 mm -54.34 -50.89 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.47 -52.63 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 125.647 1.579 . . . . 0.0 111.029 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -52.5 -61.69 2.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.521 2.328 . . . . 0.0 113.704 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -70.46 -36.68 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 123.787 0.835 . . . . 0.0 111.454 -166.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.84 29.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -59.12 -45.17 91.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.607 1.563 . . . . 0.0 111.703 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.7 pt -69.27 -20.12 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -82.48 -46.44 13.45 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 121.255 1.843 . . . . 0.0 111.31 168.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.441 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 29.6 pt -71.61 -33.04 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -174.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -38.78 -91.31 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 127.288 2.235 . . . . 0.0 116.685 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.77 18.63 17.72 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.558 2.89 . . . . 0.0 113.988 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -120.72 -81.56 0.64 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.753 -1.217 . . . . 0.0 114.01 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -143.87 111.1 5.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.735 -1.228 . . . . 0.0 109.649 -164.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -87.37 -25.81 23.65 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.335 1.454 . . . . 0.0 112.581 -174.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -38.71 -37.37 0.33 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.102 2.961 . . . . 0.0 116.716 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -45.83 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 126.671 1.988 . . . . 0.0 112.754 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.21 -30.63 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.105 -1.622 . . . . 0.0 114.533 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.31 -37.65 75.51 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.148 1.779 . . . . 0.0 115.371 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -109.15 86.25 2.25 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -41.63 -44.23 3.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.691 3.219 . . . . 0.0 119.691 -173.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -19.74 65.97 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.163 -1.586 . . . . 0.0 114.274 -177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -81.32 -40.29 23.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.13 1.772 . . . . 0.0 110.617 173.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.53 -56.08 26.77 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.743 1.217 . . . . 0.0 110.688 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.76 -56.11 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 119.774 -1.829 . . . . 0.0 111.184 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.95 -8.36 43.79 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -83.56 -30.95 26.63 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.922 -1.111 . . . . 0.0 110.504 165.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.26 -18.82 62.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.288 -2.758 . . . . 0.0 114.166 162.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -72.9 -46.36 53.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 118.048 -2.907 . . . . 0.0 111.016 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -37.46 -50.87 1.11 Allowed 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 164.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.97 -37.19 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.059 1.744 . . . . 0.0 112.843 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.49 43.54 0.89 Allowed Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 124.159 0.885 . . . . 0.0 112.001 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 133.93 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-O 124.547 2.118 . . . . 0.0 113.856 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -143.86 170.17 16.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.458 2.703 . . . . 0.0 110.217 -152.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -145.94 -128.93 0.07 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.225 1.01 . . . . 0.0 110.601 179.532 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -75.68 77.15 2.66 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.951 1.301 . . . . 0.0 112.416 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.81 -24.02 6.26 Favored Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 125.118 1.342 . . . . 0.0 114.774 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -117.25 162.24 18.2 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.527 -1.572 . . . . 0.0 110.43 -166.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 69.6 mmtt -55.11 147.26 16.45 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.132 2.173 . . . . 0.0 111.528 164.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 tp -74.59 123.35 24.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 118.858 -2.401 . . . . 0.0 112.081 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.54 149.13 28.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.748 1.219 . . . . 0.0 113.009 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.19 -33.16 72.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.619 -1.301 . . . . 0.0 113.338 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -67.38 -16.12 64.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -82.59 22.94 0.83 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.01 -38.36 70.38 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -50.58 72.92 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.956 -1.715 . . . . 0.0 113.63 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -24.7 39.14 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.2 mt -87.07 -69.22 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 124.676 1.191 . . . . 0.0 112.149 162.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.14 -37.6 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 117.149 -3.47 . . . . 0.0 114.823 -151.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.254 6.3 p -81.04 -1.15 42.88 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -88.2 -15.19 36.64 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.023 -1.673 . . . . 0.0 111.782 167.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.66 124.09 31.81 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.186 1.394 . . . . 0.0 111.125 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -90.67 -177.29 4.97 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.812 -1.805 . . . . 0.0 109.673 178.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' H ' HG21 ' A' ' 62' ' ' THR . 86.8 mt-30 -61.75 -39.36 91.33 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.631 -1.918 . . . . 0.0 112.976 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.45 -60.82 1.02 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 128.862 2.865 . . . . 0.0 114.214 163.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.57 -45.88 77.83 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.967 2.107 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -52.45 50.72 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 127.302 2.241 . . . . 0.0 112.289 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -80.99 -33.0 34.05 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.86 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -52.38 -45.96 66.01 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 120.062 1.301 . . . . 0.0 112.973 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.39 -53.5 57.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.175 1.79 . . . . 0.0 112.305 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.92 -52.48 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 127.195 2.198 . . . . 0.0 113.278 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -56.03 16.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.025 2.13 . . . . 0.0 114.294 175.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -35.84 67.56 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.876 -1.14 . . . . 0.0 113.753 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -122.76 70.54 1.01 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 122.463 1.125 . . . . 0.0 111.382 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.77 -23.78 58.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.663 -1.898 . . . . 0.0 112.335 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.36 -40.25 77.7 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.213 1.805 . . . . 0.0 113.879 170.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.01 97.67 Favored Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 124.453 1.025 . . . . 0.0 114.237 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.18 -52.92 63.53 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.631 1.572 . . . . 0.0 111.867 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -43.8 -65.97 0.44 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.207 2.203 . . . . 0.0 114.911 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.2 -57.69 15.84 Favored Glycine 0 N--CA 1.43 -1.744 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.89 -22.0 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -62.23 -54.66 37.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.317 -1.489 . . . . 0.0 111.54 169.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -67.33 -38.1 84.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.889 -1.132 . . . . 0.0 113.594 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.3 t80 -61.88 -47.03 86.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.802 -1.186 . . . . 0.0 112.451 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.94 -42.19 98.83 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.365 -1.459 . . . . 0.0 113.537 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -47.81 84.09 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.411 -0.806 . . . . 0.0 112.428 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.7 mmm -80.67 -41.1 24.32 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -97.77 -74.18 0.59 Allowed 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.674 -1.266 . . . . 0.0 113.507 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.43 -1.461 0 O-C-N 120.471 -1.393 . . . . 0.0 110.234 -153.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 tptm . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -86.59 -36.48 18.85 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.185 -1.572 . . . . 0.0 111.135 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.267 0.0 OUTLIER -68.27 -27.93 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 119.92 1.236 . . . . 0.0 113.879 176.119 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -45.93 -63.4 0.98 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 153.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -51.83 -56.86 11.45 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.983 1.713 . . . . 0.0 114.253 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -48.19 -57.93 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.404 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 167.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.39 -34.28 73.68 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.489 -2.007 . . . . 0.0 113.524 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.42 -44.03 88.93 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 170.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.7 -32.04 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 125.314 1.446 . . . . 0.0 111.517 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -36.76 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.532 -1.355 . . . . 0.0 109.565 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -65.12 -57.7 7.91 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.765 1.626 . . . . 0.0 111.31 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.47 -29.86 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.83 51.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.343 -1.473 . . . . 0.0 113.76 172.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -70.88 -40.44 72.25 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.743 -1.848 . . . . 0.0 112.236 170.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.01 -53.91 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.088 2.155 . . . . 0.0 112.378 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -36.78 -64.65 0.33 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.053 2.541 . . . . 0.0 116.363 164.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.0 pt -77.53 -31.55 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -173.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -49.58 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.179 1.391 . . . . 0.0 113.98 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -112.87 18.39 18.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -124.46 -83.3 0.65 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.112 -1.618 . . . . 0.0 111.813 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -142.74 119.98 11.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.566 1.174 . . . . 0.0 113.376 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.9 -19.95 28.11 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.544 1.537 . . . . 0.0 109.985 171.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -59.64 -29.92 68.37 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-O 125.218 2.437 . . . . 0.0 113.272 -170.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.15 -30.74 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 128.465 2.706 . . . . 0.0 109.285 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -74.17 -25.99 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.189 1.796 . . . . 0.0 112.341 176.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.33 1.38 11.7 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.974 -1.704 . . . . 0.0 113.868 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 27' ' ' VAL . 10.4 t-20 -139.01 97.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.804 1.242 . . . . 0.0 107.893 169.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -15.92 63.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.657 -1.902 . . . . 0.0 115.513 -167.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.49 -40.86 49.05 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.248 -1.533 . . . . 0.0 112.319 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.32 -52.68 57.27 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.387 -1.446 . . . . 0.0 111.985 169.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -37.91 -47.76 1.09 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -80.55 -36.56 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.032 1.733 . . . . 0.0 109.555 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.09 74.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 111.641 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.33 -46.93 82.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.056 -1.652 . . . . 0.0 113.244 166.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.316 0.8 OUTLIER -71.94 -10.05 59.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 177.717 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.29 -35.54 58.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.763 -1.836 . . . . 0.0 111.516 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.62 -42.96 3.61 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.235 2.214 . . . . 0.0 116.372 161.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -50.2 -33.56 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 119.458 -2.026 . . . . 0.0 116.41 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.41 34.09 2.17 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.476 -1.39 . . . . 0.0 112.81 -168.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.92 103.62 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.898 -1.354 . . . . 0.0 111.462 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -124.41 138.67 54.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.751 1.62 . . . . 0.0 108.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' HE1' ' O ' ' A' ' 48' ' ' LYS . 46.3 p-80 -108.88 -131.43 0.31 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 116.744 -1.598 . . . . 0.0 107.173 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.0 78.9 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.545 1.975 . . . . 0.0 115.395 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.39 -28.13 1.02 Allowed Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.111 -2.243 . . . . 0.0 117.091 -169.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -115.99 170.88 8.15 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.037 1.335 . . . . 0.0 112.972 -158.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 65.4 mmtt -77.93 164.13 25.39 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 129.627 3.171 . . . . 0.0 110.021 -177.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 tp -93.94 128.43 40.24 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.259 -2.15 . . . . 0.0 112.044 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -87.6 160.13 18.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.197 1.799 . . . . 0.0 112.746 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -92.92 -4.06 53.45 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.728 -1.233 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -107.67 -7.47 16.41 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.258 1.423 . . . . 0.0 113.715 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.9 p -89.67 15.73 9.08 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -44.75 -52.51 8.31 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.782 2.033 . . . . 0.0 114.644 163.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.49 -42.62 4.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -95.15 -15.81 23.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.711 1.204 . . . . 0.0 111.708 -176.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.86 -52.54 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 119.56 -1.963 . . . . 0.0 109.345 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.07 -37.77 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.78 -1.2 . . . . 0.0 113.289 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -50.55 -27.94 7.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 171.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.37 -16.25 16.28 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.786 -2.446 . . . . 0.0 114.358 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.28 100.64 0.48 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.531 1.932 . . . . 0.0 112.025 163.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.5 p -84.11 -166.64 1.48 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -70.63 -40.04 73.36 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 117.817 -3.052 . . . . 0.0 115.723 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -34.85 -58.04 0.52 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 118.092 2.627 . . . . 0.0 118.092 155.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -48.31 76.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.426 2.29 . . . . 0.0 111.363 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -49.49 -56.37 10.02 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.832 1.653 . . . . 0.0 112.464 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -58.72 -45.71 88.99 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.344 -1.472 . . . . 0.0 113.614 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.5 m -53.87 -45.49 71.02 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.282 3.033 . . . . 0.0 115.71 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.08 -65.19 0.64 Allowed 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.828 1.775 . . . . 0.0 114.792 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mm -47.75 -65.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 1 C-N-CA 133.557 4.743 . . . . 0.0 112.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.32 -50.65 72.09 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.862 2.465 . . . . 0.0 116.87 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.99 -45.88 47.22 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.218 0.917 . . . . 0.0 112.464 -172.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.05 79.24 1.82 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.233 1.016 . . . . 0.0 111.309 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.015 1.726 . . . . 0.0 114.086 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.39 -47.62 78.59 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.031 2.132 . . . . 0.0 116.438 -171.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.31 54.03 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 120.707 -1.246 . . . . 0.0 112.336 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.21 -46.58 83.27 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.363 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.08 -37.69 77.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.308 -1.495 . . . . 0.0 114.013 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.07 -25.82 47.21 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 119.943 -1.723 . . . . 0.0 112.949 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.316 1.7 p -80.98 -32.41 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 122.181 -0.599 . . . . 0.0 110.324 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -41.59 98.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 120.143 1.338 . . . . 0.0 114.126 173.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -61.98 -44.06 97.53 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.321 -1.487 . . . . 0.0 114.103 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -32.17 71.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.505 -1.372 . . . . 0.0 113.167 176.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.45 -39.7 81.36 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.113 2.165 . . . . 0.0 114.083 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.85 -45.12 71.91 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.36 -1.462 . . . . 0.0 112.578 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.2 ttm -56.83 -53.95 51.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -113.63 -9.41 13.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.532 2.733 . . . . 0.0 116.675 -165.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.444 0 CA-C-N 122.199 2.272 . . . . 0.0 113.876 150.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.07 19.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 -170.222 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mt -33.66 -62.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.332 2.653 . . . . 0.0 116.321 147.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.02 -57.64 6.22 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.553 1.941 . . . . 0.0 116.231 170.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -61.2 -30.95 70.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.481 -2.012 . . . . 0.0 114.006 -177.158 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -82.76 -48.56 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 127.434 2.293 . . . . 0.0 114.096 176.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -61.53 -18.21 58.14 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 118.996 -2.315 . . . . 0.0 114.01 170.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.43 ' OE1' ' HE1' ' A' ' 44' ' ' HIS . 33.8 tt0 -69.98 -58.71 3.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.921 1.289 . . . . 0.0 110.481 167.309 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -42.48 -50.36 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 126.499 1.92 . . . . 0.0 115.508 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -79.75 -55.48 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.208 -1.558 . . . . 0.0 110.785 -172.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.5 m -56.07 -52.49 64.11 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.389 1.476 . . . . 0.0 113.144 -176.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.57 -44.29 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 CA-C-N 118.509 0.595 . . . . 0.0 110.154 -174.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.63 64.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 167.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.7 m -65.14 -41.91 94.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.716 1.207 . . . . 0.0 112.337 -176.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.27 -49.74 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.369 1.867 . . . . 0.0 112.352 173.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -84.25 -47.39 10.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.821 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 pt -61.85 -31.08 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 122.537 2.426 . . . . 0.0 115.71 -173.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.07 -71.66 0.06 Allowed 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 162.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -115.3 15.64 16.89 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.252 1.501 . . . . 0.0 112.184 -173.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -108.81 -72.14 0.73 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.064 -1.023 . . . . 0.0 111.526 176.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 127.54 0.33 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 123.44 1.591 . . . . 0.0 112.886 -153.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.79 -39.42 15.94 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.983 3.713 . . . . 0.0 110.829 173.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -24.07 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.803 2.841 . . . . 0.0 118.578 165.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.77 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.673 1.989 . . . . 0.0 112.482 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.371 9.1 m -59.45 -42.79 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.389 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -42.45 -33.33 0.65 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 177.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.45 83.96 2.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 169.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.256 14.1 mtm180 -25.99 -45.1 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.451 1 N-CA-C 123.799 4.74 . . . . 0.0 123.799 177.205 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.02 17.21 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 122.969 2.622 . . . . 0.0 116.729 174.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -89.89 -42.15 11.39 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.055 -1.653 . . . . 0.0 108.286 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -40.15 -49.12 2.61 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.956 3.317 . . . . 0.0 119.956 158.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -69.85 -45.8 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 126.899 2.08 . . . . 0.0 106.029 -175.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -14.57 62.72 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 117.995 -2.941 . . . . 0.0 115.62 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.6 -14.34 54.97 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 123.824 3.011 . . . . 0.0 106.921 175.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.18 -21.88 39.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.297 -1.502 . . . . 0.0 110.082 170.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -84.02 -9.87 58.32 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.233 -2.167 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.15 -52.47 23.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.892 1.677 . . . . 0.0 114.082 160.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -46.82 -36.86 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 173.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.48 42.84 6.37 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-O 119.311 -0.716 . . . . 0.0 113.91 -171.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -90.0 119.09 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 143.49 43.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.236 -1.54 . . . . 0.0 109.223 -168.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.43 ' HE1' ' OE1' ' A' ' 10' ' ' GLU 0.252 30.5 m80 -117.55 -112.49 0.34 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 119.809 1.186 . . . . 0.0 110.833 177.379 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.9 67.91 4.73 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.988 -1.07 . . . . 0.0 112.65 -166.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.11 -24.99 4.38 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 118.692 -2.505 . . . . 0.0 114.788 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -132.04 134.29 45.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.947 -1.326 . . . . 0.0 111.587 -153.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -44.71 124.86 4.54 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.799 2.039 . . . . 0.0 114.282 163.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.53 111.52 10.92 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.488 -2.008 . . . . 0.0 111.554 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -90.22 179.07 6.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.669 1.588 . . . . 0.0 110.135 173.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.68 -35.35 70.27 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.957 2.313 . . . . 0.0 109.255 -166.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -58.08 -25.86 61.83 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.934 4.094 . . . . 0.0 114.498 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -68.0 -12.38 60.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.717 -1.239 . . . . 0.0 113.758 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.6 -14.4 62.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.97 -1.706 . . . . 0.0 115.312 -177.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -69.2 -49.05 60.12 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.174 -1.578 . . . . 0.0 110.662 173.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.15 -49.27 32.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.509 2.724 . . . . 0.0 114.844 168.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.59 -75.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 128.004 2.522 . . . . 0.0 112.68 164.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.44 -21.71 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 122.007 2.185 . . . . 0.0 116.33 -155.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -88.2 -34.55 17.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 113.986 175.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -84.04 6.98 20.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.404 -2.06 . . . . 0.0 115.54 169.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.17 132.17 34.96 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.34 -1.475 . . . . 0.0 108.188 146.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -114.97 -158.2 0.66 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.827 1.651 . . . . 0.0 106.763 -166.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -73.93 -47.57 36.79 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 162.003 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.73 -34.72 76.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.977 -1.702 . . . . 0.0 111.657 -166.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.85 -50.64 72.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.142 2.177 . . . . 0.0 112.189 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -44.35 -47.3 9.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.742 2.417 . . . . 0.0 114.376 173.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -74.22 -55.87 5.55 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.259 -0.901 . . . . 0.0 112.95 -176.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.9 m -37.42 -46.81 0.82 Allowed 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 130.444 3.497 . . . . 0.0 115.457 163.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 ' HB3' ' H ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -49.24 -63.18 1.18 Allowed 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 169.494 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.414 ' H ' ' HB3' ' A' ' 69' ' ' LEU . 96.6 mt -65.36 -42.5 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.254 2.622 . . . . 0.0 110.651 -165.654 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.68 -27.02 67.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 131.567 3.947 . . . . 0.0 111.874 -171.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.15 -47.16 9.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.155 -0.965 . . . . 0.0 112.567 174.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -126.56 86.55 2.53 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -175.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.84 -29.33 23.83 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.243 1.017 . . . . 0.0 110.334 178.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.73 -51.71 67.77 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.483 1.513 . . . . 0.0 113.144 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.64 -25.49 75.47 Favored Glycine 0 N--CA 1.43 -1.703 0 O-C-N 120.854 -1.154 . . . . 0.0 115.415 173.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -65.94 -50.47 64.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.279 1.432 . . . . 0.0 111.022 175.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.02 -50.25 74.46 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.978 -1.077 . . . . 0.0 111.295 168.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.08 -35.74 8.76 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 118.241 2.056 . . . . 0.0 118.241 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.01 -22.19 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 119.559 -2.142 . . . . 0.0 110.455 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -70.31 -33.43 71.53 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.75 -1.844 . . . . 0.0 111.362 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.192 1.397 . . . . 0.0 112.489 168.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.64 -39.27 88.17 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.574 -1.329 . . . . 0.0 112.897 172.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.4 -53.71 55.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.837 1.655 . . . . 0.0 114.628 177.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.14 -33.52 70.14 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.174 0.99 . . . . 0.0 111.865 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 ttt -68.17 -52.49 33.93 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 169.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -105.87 -73.08 0.69 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.646 -1.908 . . . . 0.0 116.118 -169.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.429 -1.481 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.104 -141.339 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.95 -8.91 53.26 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 178.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -82.01 -50.29 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 126.632 1.973 . . . . 0.0 108.743 -176.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.47 70.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.489 1.516 . . . . 0.0 112.44 168.352 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.5 m -57.09 -36.72 70.94 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 169.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.08 -41.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 118.986 -2.321 . . . . 0.0 111.114 -174.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -12.87 60.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.76 -1.837 . . . . 0.0 112.831 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.59 -50.49 58.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.549 -1.344 . . . . 0.0 111.704 161.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.06 -49.42 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 125.376 1.47 . . . . 0.0 113.659 174.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.02 -38.43 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 124.998 1.319 . . . . 0.0 112.164 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -59.17 -62.59 1.77 Allowed 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.723 -1.236 . . . . 0.0 111.364 171.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.54 -12.34 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.995 -1.691 . . . . 0.0 114.471 -171.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.4 -34.62 17.49 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.094 0.958 . . . . 0.0 111.176 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -84.85 -33.97 22.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.865 -1.147 . . . . 0.0 110.598 -178.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.62 -21.99 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.601 -1.312 . . . . 0.0 110.901 170.091 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -64.53 -71.2 0.19 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.473 -2.017 . . . . 0.0 114.542 166.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 pt -70.79 -36.29 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -160.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -38.97 -64.09 0.48 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.474 2.31 . . . . 0.0 115.196 -178.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -110.61 43.84 1.35 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.028 1.731 . . . . 0.0 113.039 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.5 m -135.72 -96.05 0.24 Allowed 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 113.016 173.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.06 143.71 29.57 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.895 1.278 . . . . 0.0 107.667 -172.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.51 -34.74 60.83 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 125.011 2.338 . . . . 0.0 111.716 172.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.05 -24.08 2.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.978 2.911 . . . . 0.0 116.522 -162.209 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -46.91 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 118.971 -2.33 . . . . 0.0 112.902 170.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.43 -8.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 126.627 1.971 . . . . 0.0 113.441 176.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.59 -24.99 66.41 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -128.13 136.91 51.8 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 160.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -76.94 -19.61 57.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 125.343 3.701 . . . . 0.0 114.799 -174.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.53 1.12 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.374 1.47 . . . . 0.0 114.808 169.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -35.7 -47.17 0.47 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 121.55 3.907 . . . . 0.0 121.55 155.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.21 -55.0 40.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.833 2.053 . . . . 0.0 112.497 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.1 mt -61.24 -41.66 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 126.52 1.928 . . . . 0.0 110.62 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.75 90.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.844 0.83 . . . . 0.0 110.162 -176.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.03 -34.88 22.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 159.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.91 -13.86 60.97 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 117.135 -3.478 . . . . 0.0 114.421 173.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -75.63 -39.6 57.53 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 118.961 -2.337 . . . . 0.0 112.837 169.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -44.88 -30.32 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.524 3.527 . . . . 0.0 120.524 154.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.76 -23.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.504 -1.997 . . . . 0.0 110.504 169.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.09 42.8 4.88 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 119.054 -2.279 . . . . 0.0 111.967 164.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.27 114.84 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 126.13 1.772 . . . . 0.0 112.472 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.8 p -99.51 149.5 23.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.021 -2.299 . . . . 0.0 115.357 -157.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.401 ' HE1' ' HB2' ' A' ' 47' ' ' ARG . 2.3 p-80 -131.63 -176.72 4.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 163.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -45.88 92.88 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 -27.34 6.85 Favored Glycine 0 N--CA 1.429 -1.772 0 C-N-CA 126.84 2.162 . . . . 0.0 116.772 175.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HB2' ' HE1' ' A' ' 44' ' ' HIS . 65.6 mtt180 -135.12 172.19 13.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 119.502 1.651 . . . . 0.0 110.556 -168.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 174.71 11.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.471 -2.018 . . . . 0.0 108.316 171.325 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -97.85 122.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.773 -1.83 . . . . 0.0 112.903 -168.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -96.13 179.93 4.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.967 1.307 . . . . 0.0 109.76 172.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -72.32 -55.03 7.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.573 -1.954 . . . . 0.0 110.022 -163.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -36.31 -37.36 0.12 Allowed 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 132.688 4.395 . . . . 0.0 118.01 -178.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -85.21 15.29 4.35 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.461 -2.025 . . . . 0.0 114.787 -174.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -54.98 -34.6 63.49 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.473 1.909 . . . . 0.0 113.522 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -32.47 -68.98 0.09 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.688 2.106 . . . . 0.0 116.688 153.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -84.88 -9.27 58.29 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.993 -1.692 . . . . 0.0 115.079 -171.862 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -45.73 -67.77 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 120.236 -1.54 . . . . 0.0 115.042 148.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.56 -32.56 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -165.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -48.67 -45.48 38.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.713 2.005 . . . . 0.0 115.004 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -66.69 -13.66 61.55 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.56 147.11 27.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.995 1.379 . . . . 0.0 113.299 -168.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.4 m -124.08 151.51 43.77 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 128.315 2.646 . . . . 0.0 107.351 -176.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -25.07 -31.4 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 132.932 4.493 . . . . 0.0 120.927 176.063 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -33.52 -53.49 0.42 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.725 2.81 . . . . 0.0 113.211 161.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -50.65 -54.08 25.8 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 129.383 3.073 . . . . 0.0 113.645 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -57.28 -45.57 83.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.695 1.998 . . . . 0.0 111.092 -164.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.54 -40.7 18.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.253 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.6 m -52.51 -51.23 60.54 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.516 1.526 . . . . 0.0 113.789 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.87 -60.21 3.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.33 1.452 . . . . 0.0 112.638 175.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.71 -32.51 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.695 -1.253 . . . . 0.0 112.468 -169.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.81 -45.22 67.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.107 -1.62 . . . . 0.0 115.192 171.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -73.93 -46.72 42.5 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.012 -1.68 . . . . 0.0 112.328 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -107.71 26.43 10.31 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.327 1.451 . . . . 0.0 112.882 -157.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -49.06 -53.37 20.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.36 2.264 . . . . 0.0 113.597 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.335 1.054 . . . . 0.0 113.518 179.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.57 89.7 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 124.939 1.257 . . . . 0.0 113.911 177.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -65.97 -51.92 54.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.461 1.904 . . . . 0.0 112.046 175.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.15 -39.96 88.21 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 178.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.19 -57.37 17.09 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.361 0.981 . . . . 0.0 113.571 175.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.04 -32.18 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.309 -1.701 . . . . 0.0 115.386 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -53.3 -45.3 68.91 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.221 1.409 . . . . 0.0 112.165 172.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.62 -28.75 66.19 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -66.14 -44.43 84.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.543 -1.973 . . . . 0.0 110.583 170.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.79 -38.44 91.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.573 1.549 . . . . 0.0 113.023 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.81 -45.91 80.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.564 -1.335 . . . . 0.0 112.344 172.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.6 mmt -79.23 -39.55 32.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 120.037 1.29 . . . . 0.0 114.097 -174.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.6 -69.95 0.72 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 121.725 2.057 . . . . 0.0 112.888 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.43 -1.443 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.731 -157.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 121.978 0.894 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -87.25 179.12 6.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 124.065 1.888 . . . . 0.0 113.855 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.48 -18.01 37.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 114.662 -1.154 . . . . 0.0 107.976 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.58 -52.14 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.569 1.548 . . . . 0.0 110.145 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 -59.45 2.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 130.82 3.648 . . . . 0.0 112.756 167.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -49.63 -62.28 1.64 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.13 -41.31 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.455 1.902 . . . . 0.0 114.478 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -65.31 -31.34 72.43 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.171 2.259 . . . . 0.0 112.013 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.112 1.365 . . . . 0.0 113.304 172.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.43 -61.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.854 -1.154 . . . . 0.0 112.074 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.33 -47.2 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.144 1.378 . . . . 0.0 114.189 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -67.87 -40.06 83.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.139 -1.6 . . . . 0.0 113.082 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.62 -35.97 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.804 -1.185 . . . . 0.0 110.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.32 -54.67 42.7 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -51.89 -50.25 61.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.16 2.184 . . . . 0.0 113.271 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.45 -42.25 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.558 1.072 . . . . 0.0 113.185 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -22.74 49.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.635 -1.291 . . . . 0.0 113.19 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.435 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.298 13.0 pt -85.67 -57.39 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 118.611 -2.555 . . . . 0.0 115.147 169.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.255 1.7 tmtp? -29.6 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.876 3.27 . . . . 0.0 116.057 -174.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.32 18.3 22.09 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 125.227 3.649 . . . . 0.0 111.893 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -125.2 -76.87 0.59 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -171.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt85 -140.77 91.35 2.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.392 -1.442 . . . . 0.0 112.024 -160.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.43 -31.49 18.79 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.321 -1.487 . . . . 0.0 113.013 -172.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.86 -13.84 2.96 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 129.104 2.961 . . . . 0.0 116.845 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.0 pt -96.15 -21.99 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 126.311 1.844 . . . . 0.0 112.537 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -23.55 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.168 1.387 . . . . 0.0 111.798 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -49.76 -58.95 4.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.713 2.805 . . . . 0.0 115.558 165.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.78 89.37 2.99 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.988 1.715 . . . . 0.0 107.096 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.01 -5.32 16.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -157.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.01 55.66 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 120.065 1.302 . . . . 0.0 111.41 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -66.35 -45.22 80.94 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.83 1.252 . . . . 0.0 110.63 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.03 -51.79 22.7 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.518 1.527 . . . . 0.0 114.728 167.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.9 -53.26 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.973 1.709 . . . . 0.0 110.802 -173.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.88 -13.14 60.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.08 -25.2 25.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.769 2.077 . . . . 0.0 110.825 166.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -33.05 51.79 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.279 -1.513 . . . . 0.0 111.989 175.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -72.44 -39.48 67.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.66 -2.525 . . . . 0.0 113.216 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -33.6 -43.53 0.13 Allowed 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.144 2.978 . . . . 0.0 117.219 163.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.18 -37.52 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.706 2.402 . . . . 0.0 115.822 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.42 23.46 5.71 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 120.24 -1.538 . . . . 0.0 112.649 -164.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -83.33 109.73 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -117.31 155.87 28.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 121.652 2.024 . . . . 0.0 112.54 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -128.01 -125.48 0.22 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.471 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -86.36 66.2 9.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.64 -166.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.53 -11.2 19.68 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.597 1.57 . . . . 0.0 114.923 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.67 174.73 10.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.082 1.353 . . . . 0.0 110.807 -159.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -79.47 171.26 15.4 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.77 -1.206 . . . . 0.0 111.105 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -81.22 132.35 35.34 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.863 -1.773 . . . . 0.0 112.893 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -108.01 139.11 43.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.444 1.498 . . . . 0.0 108.465 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -70.65 -18.65 62.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.681 -1.887 . . . . 0.0 113.452 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -63.75 -28.33 69.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.416 2.286 . . . . 0.0 113.594 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m -78.81 7.45 7.05 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.74 -28.76 57.56 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.986 -2.321 . . . . 0.0 115.423 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -60.67 -43.71 97.36 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.793 -1.817 . . . . 0.0 113.282 168.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.07 -13.82 62.66 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.226 3.011 . . . . 0.0 115.416 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -82.29 -69.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.122 -0.986 . . . . 0.0 109.037 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.49 -27.71 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.763 -1.21 . . . . 0.0 114.23 -159.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -72.73 -37.52 67.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.193 -0.942 . . . . 0.0 111.353 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -4.23 44.94 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.935 2.494 . . . . 0.0 116.825 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.01 157.56 19.42 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.362 -1.461 . . . . 0.0 108.433 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -114.6 -177.07 3.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.37 -36.04 71.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.738 -1.851 . . . . 0.0 110.914 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -50.65 -47.66 58.49 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 125.783 2.706 . . . . 0.0 112.91 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.28 -38.3 68.82 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.725 2.81 . . . . 0.0 113.105 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -52.9 -50.66 63.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.002 -1.061 . . . . 0.0 112.247 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -62.91 -55.98 21.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.879 1.672 . . . . 0.0 110.557 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.9 m -38.97 -53.21 1.77 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 131.659 3.984 . . . . 0.0 115.959 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -45.54 83.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 124.499 2.095 . . . . 0.0 112.014 -174.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.88 -58.59 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 110.878 -2.874 . . . . 0.0 109.851 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -43.83 81.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -176.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -71.58 -45.69 61.48 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.301 -1.499 . . . . 0.0 113.432 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.88 63.38 0.92 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 110.423 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.32 -29.16 66.93 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.796 -1.19 . . . . 0.0 112.288 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -54.99 -45.31 75.03 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.15 1.78 . . . . 0.0 112.749 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.34 -31.27 57.32 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 124.362 0.982 . . . . 0.0 114.234 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.15 -55.89 14.12 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 118.196 0.998 . . . . 0.0 111.231 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.86 -41.94 83.46 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 113.112 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.36 -57.7 7.07 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.066 1.317 . . . . 0.0 114.907 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.62 -30.44 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 119.18 1.49 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -62.23 -38.14 88.06 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.203 -1.561 . . . . 0.0 112.474 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -66.95 -41.83 86.26 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.391 -1.443 . . . . 0.0 113.375 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.8 t80 -59.81 -47.23 86.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.712 1.205 . . . . 0.0 111.191 172.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.76 -52.86 54.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.884 2.074 . . . . 0.0 115.515 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.33 -30.86 66.7 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.552 -1.343 . . . . 0.0 113.568 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.9 ttm -89.04 -42.73 11.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -87.12 -74.15 0.45 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.553 -1.342 . . . . 0.0 111.532 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.24 139.44 2.75 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.393 -1.323 . . . . 0.0 109.758 -167.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -92.28 121.43 33.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.149 -1.594 . . . . 0.0 109.937 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 tttm . . . . . 0 N--CA 1.429 -1.488 0 O-C-N 120.202 -1.561 . . . . 0.0 109.299 166.558 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.429 -1.48 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -107.28 166.59 10.52 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.217 -1.552 . . . . 0.0 107.323 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -71.66 -16.01 62.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.629 -1.919 . . . . 0.0 113.47 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.08 -57.35 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 126.16 1.784 . . . . 0.0 109.872 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -54.02 -43.92 70.53 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 125.925 1.69 . . . . 0.0 112.465 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -53.59 -64.86 0.69 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.156 1.382 . . . . 0.0 111.861 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -81.16 -28.65 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 121.797 2.09 . . . . 0.0 112.584 -171.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -72.16 -12.34 61.14 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.668 -1.895 . . . . 0.0 113.386 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -76.33 -48.49 19.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.873 162.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -47.44 -46.73 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 121.81 2.095 . . . . 0.0 114.8 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -53.99 -56.35 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.898 2.079 . . . . 0.0 111.294 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 m -64.27 -58.78 5.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.57 -1.956 . . . . 0.0 114.618 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.271 6.6 m -50.16 -35.13 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 175.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.68 -32.63 64.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.104 -2.248 . . . . 0.0 114.332 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 p -73.93 -39.67 63.62 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 123.719 0.807 . . . . 0.0 112.194 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.91 -44.81 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.602 1.561 . . . . 0.0 112.772 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -54.17 14.29 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.412 -1.43 . . . . 0.0 111.072 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.344 17.1 pt -67.54 -41.72 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 -168.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 6.7 mtpt -51.03 -63.68 1.05 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -154.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -115.8 68.53 0.72 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.076 0.95 . . . . 0.0 111.752 165.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -153.04 -94.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.186 -1.571 . . . . 0.0 112.28 167.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -119.83 125.38 48.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.215 1.806 . . . . 0.0 113.633 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -92.54 -27.12 17.58 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 127.822 2.449 . . . . 0.0 111.798 168.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -46.45 -49.85 17.64 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.641 1.976 . . . . 0.0 115.791 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -47.55 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.892 -1.13 . . . . 0.0 113.983 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.261 3.6 p -66.94 -16.52 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.24 -36.74 82.28 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.445 -2.035 . . . . 0.0 112.471 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -108.14 102.9 12.02 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.393 -1.442 . . . . 0.0 109.314 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -50.41 -51.07 49.64 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -162.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.47 -44.87 3.04 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.656 3.182 . . . . 0.0 114.402 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -36.83 76.96 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 124.111 1.91 . . . . 0.0 110.456 -177.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -75.3 -36.74 61.1 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.953 -1.717 . . . . 0.0 110.766 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -51.86 -42.73 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.574 1.549 . . . . 0.0 113.095 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.98 86.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 131.05 3.74 . . . . 0.0 112.962 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.73 -51.72 68.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 131.356 3.862 . . . . 0.0 114.359 160.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.95 -49.55 77.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.112 3.142 . . . . 0.0 114.549 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -34.81 -43.72 0.19 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 130.856 3.662 . . . . 0.0 114.633 158.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.24 -42.9 96.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.724 1.725 . . . . 0.0 113.794 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.28 -38.04 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 128.505 2.722 . . . . 0.0 110.081 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.24 19.73 5.4 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 125.712 1.625 . . . . 0.0 114.098 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.2 t -49.41 114.37 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.79 2.036 . . . . 0.0 113.281 150.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -152.73 -175.06 5.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.698 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 5.8 p-80 -132.81 -118.99 0.2 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.698 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 75.4 mt-10 -75.87 59.14 1.21 Allowed 'General case' 0 N--CA 1.43 -1.443 1 C-N-CA 132.894 4.478 . . . . 0.0 111.943 172.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.2 82.31 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 125.266 1.412 . . . . 0.0 113.283 166.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 39.9 mtp180 -128.44 156.44 43.2 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 130.686 3.594 . . . . 0.0 108.358 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -46.46 163.23 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.298 2.239 . . . . 0.0 114.996 172.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 tp -85.14 113.2 21.34 Favored 'General case' 0 N--CA 1.429 -1.524 0 O-C-N 117.924 -2.985 . . . . 0.0 110.61 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.55 -173.2 3.68 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.968 1.842 . . . . 0.0 114.982 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -47.24 15.15 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 128.409 2.684 . . . . 0.0 114.717 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -69.83 -44.52 69.77 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.743 2.017 . . . . 0.0 115.556 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -37.49 -34.46 0.1 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 131.411 3.884 . . . . 0.0 116.336 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -14.56 17.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.634 1.174 . . . . 0.0 113.775 -178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -72.09 -33.3 67.76 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 124.842 1.257 . . . . 0.0 111.334 168.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.44 -40.37 95.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.409 -2.682 . . . . 0.0 111.051 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 mt -55.42 -69.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.12 -41.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.92 3.688 . . . . 0.0 117.651 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -57.09 -54.58 45.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.775 2.03 . . . . 0.0 113.013 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -79.99 5.31 14.38 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.772 1.629 . . . . 0.0 114.743 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -92.17 115.48 28.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -172.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -82.0 168.66 17.61 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 108.787 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -60.58 -35.16 75.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.873 -1.767 . . . . 0.0 110.725 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.75 -50.71 68.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.865 1.666 . . . . 0.0 111.077 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -54.82 -51.72 64.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.256 1.422 . . . . 0.0 113.948 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -54.98 -54.27 45.07 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.309 1.844 . . . . 0.0 111.591 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.29 -42.58 92.98 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.695 -1.253 . . . . 0.0 109.384 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -76.43 -20.69 56.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.782 1.233 . . . . 0.0 110.724 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tt -76.96 -52.31 9.62 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.3 mm -77.53 -11.04 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 122.745 1.259 . . . . 0.0 109.909 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.01 -39.65 79.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.054 -2.278 . . . . 0.0 111.408 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.75 -47.72 16.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.204 1.001 . . . . 0.0 111.771 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -129.76 96.61 4.28 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.269 1.033 . . . . 0.0 109.249 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -76.66 -41.14 46.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -45.77 -42.24 11.8 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 128.785 2.834 . . . . 0.0 116.793 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.56 -46.97 44.52 Favored Glycine 0 N--CA 1.429 -1.801 0 O-C-N 120.492 -1.38 . . . . 0.0 112.707 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -64.62 -50.24 67.91 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.857 1.263 . . . . 0.0 112.116 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -63.57 -28.2 69.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.37 -55.71 17.01 Favored Glycine 0 N--CA 1.429 -1.806 0 O-C-N 120.539 -1.35 . . . . 0.0 112.716 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.252 34.2 m -69.03 -42.47 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 121.886 -0.773 . . . . 0.0 112.974 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.01 -46.85 84.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.792 -1.193 . . . . 0.0 113.049 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.36 -35.71 61.08 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.768 -1.208 . . . . 0.0 113.663 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 20' ' ' LYS . 7.4 t80 -64.14 -48.65 75.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.951 -1.093 . . . . 0.0 111.189 172.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.7 -27.17 62.85 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.26 -1.525 . . . . 0.0 114.156 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.97 -49.44 60.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.388 -1.445 . . . . 0.0 114.219 166.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.9 mtp -95.19 -6.02 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.581 1.152 . . . . 0.0 113.096 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -108.72 -76.38 0.61 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 120.977 1.717 . . . . 0.0 107.223 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 t -158.73 122.69 3.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 117.641 -1.624 . . . . 0.0 111.243 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -89.64 153.66 20.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 123.741 1.734 . . . . 0.0 112.288 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? . . . . . 0 N--CA 1.429 -1.482 0 C-N-CA 126.357 1.863 . . . . 0.0 109.027 -159.579 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 122.821 1.296 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -98.91 147.15 25.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.177 1.391 . . . . 0.0 107.757 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -77.75 -17.77 57.21 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.16 -1.587 . . . . 0.0 112.11 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.06 -63.55 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 125.524 1.53 . . . . 0.0 113.771 163.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.36 -63.09 0.59 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.168 1.787 . . . . 0.0 115.579 167.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 m -51.33 -55.29 19.22 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.711 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -75.36 -40.49 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.195 -1.565 . . . . 0.0 109.454 -168.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -60.74 -41.19 94.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.844 -1.785 . . . . 0.0 115.248 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.55 -42.64 34.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 164.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.03 -53.71 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.428 1.091 . . . . 0.0 110.192 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.04 -58.45 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.614 2.365 . . . . 0.0 112.766 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -48.21 -69.62 0.12 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.421 -2.049 . . . . 0.0 114.191 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.66 -27.35 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.69 33.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.362 -1.461 . . . . 0.0 113.31 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -58.76 -44.97 90.74 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.292 2.237 . . . . 0.0 111.87 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.54 -37.53 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.342 2.257 . . . . 0.0 113.357 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.38 -57.68 3.74 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.582 1.153 . . . . 0.0 112.039 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 19.2 pt -66.87 -20.9 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -172.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -48.7 -67.75 0.24 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.149 2.179 . . . . 0.0 115.379 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -115.12 22.63 13.18 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.582 -1.323 . . . . 0.0 113.54 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.4 p -110.04 -81.57 0.58 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.431 -2.043 . . . . 0.0 114.247 167.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? 178.93 144.09 0.13 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.883 3.273 . . . . 0.0 102.852 -158.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HG3' ' HH ' ' A' ' 83' ' ' TYR . 26.4 mp0 -91.56 3.43 55.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.695 3.198 . . . . 0.0 113.816 -176.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.71 -42.89 98.14 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.988 2.328 . . . . 0.0 111.959 -156.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.58 -62.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 131.181 3.793 . . . . 0.0 112.943 172.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 26' ' ' ILE 0.269 2.5 p -63.33 -31.8 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -52.96 -58.85 5.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.769 1.228 . . . . 0.0 112.498 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -100.13 84.23 2.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.393 -1.442 . . . . 0.0 109.809 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -26.67 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 120.863 3.653 . . . . 0.0 120.863 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.74 60.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.61 1.964 . . . . 0.0 112.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.45 -5.8 59.07 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 129.081 2.952 . . . . 0.0 110.499 169.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -87.96 -60.92 1.84 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.127 -2.233 . . . . 0.0 107.3 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -30.6 -48.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 129.714 3.205 . . . . 0.0 116.263 162.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.88 -17.92 42.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -67.78 -35.4 78.61 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 116.704 -3.747 . . . . 0.0 112.814 156.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.54 -28.04 68.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.225 -2.797 . . . . 0.0 115.687 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -74.7 -21.71 59.24 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.489 1.516 . . . . 0.0 111.38 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -53.5 57.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.379 1.561 . . . . 0.0 111.253 172.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.21 -42.82 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.382 2.273 . . . . 0.0 112.745 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.73 39.41 2.95 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 126.888 2.185 . . . . 0.0 113.783 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.32 145.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.498 1.919 . . . . 0.0 108.002 159.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -142.12 -172.35 3.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 102.89 -3.004 . . . . 0.0 102.89 164.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -115.64 -137.49 0.36 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.654 -1.279 . . . . 0.0 108.219 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.64 120.72 6.0 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.815 -1.178 . . . . 0.0 113.426 145.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.14 -27.53 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 130.553 3.93 . . . . 0.0 122.185 167.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -139.27 172.4 12.89 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.765 1.269 . . . . 0.0 107.991 -171.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.26 167.1 0.98 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.491 1.916 . . . . 0.0 112.555 156.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.2 tp -76.47 121.04 22.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.211 1.404 . . . . 0.0 110.879 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -92.53 145.0 24.78 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.484 -2.01 . . . . 0.0 108.414 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -54.76 -34.04 62.05 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.801 1.64 . . . . 0.0 115.167 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.8 -32.61 73.82 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.071 2.548 . . . . 0.0 116.087 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.3 96.5 p -72.04 -6.31 41.41 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -164.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -25.38 -44.42 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.71 3.226 . . . . 0.0 119.71 149.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -49.02 -62.18 1.67 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.67 3.188 . . . . 0.0 111.059 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -62.53 -28.53 69.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -74.91 -63.34 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 123.467 2.849 . . . . 0.0 109.098 -168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.7 -26.61 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.939 2.896 . . . . 0.0 116.059 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -71.92 -39.18 69.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.892 -1.13 . . . . 0.0 109.942 173.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.83 -38.94 36.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.493 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.5 117.52 14.27 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 121.261 1.846 . . . . 0.0 109.506 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -173.74 0.21 Allowed 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 126.291 1.836 . . . . 0.0 112.599 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -63.15 -33.49 75.58 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 117.285 -3.384 . . . . 0.0 112.668 162.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.78 -58.52 7.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.578 2.351 . . . . 0.0 114.431 171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.59 -37.03 84.06 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.724 1.609 . . . . 0.0 111.056 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -48.28 -61.8 1.81 Allowed 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 126.417 1.887 . . . . 0.0 112.41 164.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -67.16 -34.35 77.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.211 -1.555 . . . . 0.0 109.963 -172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.8 m -71.04 -44.69 65.28 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.831 1.652 . . . . 0.0 111.883 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -42.21 -58.42 2.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.299 2.239 . . . . 0.0 114.671 165.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.71 -42.35 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 129.161 2.984 . . . . 0.0 113.454 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.1 -49.37 77.93 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.228 -2.17 . . . . 0.0 112.813 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.18 -42.44 37.62 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.074 -1.016 . . . . 0.0 113.363 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -146.66 88.73 1.78 Allowed 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.979 -1.076 . . . . 0.0 109.98 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -77.07 -35.66 56.45 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.644 -1.91 . . . . 0.0 114.21 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -52.71 -35.67 56.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.894 2.477 . . . . 0.0 116.723 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.52 -63.44 4.48 Favored Glycine 0 N--CA 1.431 -1.685 0 O-C-N 120.704 -1.247 . . . . 0.0 113.529 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.58 -51.36 68.88 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.811 1.644 . . . . 0.0 113.857 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -78.92 -21.0 47.97 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.218 -2.176 . . . . 0.0 113.986 -169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.35 -42.51 49.18 Favored Glycine 0 N--CA 1.43 -1.758 0 O-C-N 120.329 -1.482 . . . . 0.0 112.898 167.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -68.35 -29.21 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 121.389 -1.065 . . . . 0.0 112.241 175.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.0 -43.56 73.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.389 1.476 . . . . 0.0 113.442 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -63.05 -38.59 91.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.082 -1.636 . . . . 0.0 113.964 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.418 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.6 t80 -59.87 -46.09 90.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.505 -1.372 . . . . 0.0 110.743 170.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.21 -33.61 72.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.645 -1.91 . . . . 0.0 114.55 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -65.5 -37.87 88.07 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.296 -1.503 . . . . 0.0 111.26 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.5 tpt -95.39 -37.3 11.01 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.255 1.822 . . . . 0.0 114.487 -169.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -96.72 -78.17 0.47 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.203 -1.561 . . . . 0.0 109.844 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.4 t -158.78 121.01 3.57 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 115.173 -2.611 . . . . 0.0 109.646 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -109.66 138.36 46.14 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 mttm . . . . . 0 N--CA 1.43 -1.461 0 O-C-N 119.256 -2.152 . . . . 0.0 106.702 167.477 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 121.604 0.716 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -88.67 153.07 21.4 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.969 -1.082 . . . . 0.0 112.062 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -56.3 -36.41 68.63 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.06 -1.65 . . . . 0.0 112.304 167.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.73 -51.22 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.16 2.184 . . . . 0.0 111.289 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.41 -65.81 0.38 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 129.13 2.972 . . . . 0.0 115.393 160.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 m -53.48 -51.51 62.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.826 1.648 . . . . 0.0 112.665 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.35 -45.63 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -60.85 -43.3 98.52 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 121.434 1.925 . . . . 0.0 113.259 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.96 -43.06 91.26 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.679 2.792 . . . . 0.0 115.196 170.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.11 -51.03 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 120.113 1.324 . . . . 0.0 112.51 171.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.6 -48.72 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 126.902 2.081 . . . . 0.0 112.903 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 m -57.32 -50.15 73.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.819 1.647 . . . . 0.0 112.73 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.27 -39.44 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 120.995 -1.066 . . . . 0.0 111.274 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.02 51.58 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 172.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -63.81 -38.89 92.78 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.258 1.023 . . . . 0.0 112.089 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.0 mt -58.6 -40.54 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 123.532 0.733 . . . . 0.0 112.274 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.41 -52.63 6.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 119.526 1.057 . . . . 0.0 112.216 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.429 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 27.1 pt -69.03 -29.9 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 119.128 -2.233 . . . . 0.0 116.443 -169.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -46.18 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 166.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.91 80.75 1.47 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.393 1.906 . . . . 0.0 112.868 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -166.8 -79.22 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.734 -1.229 . . . . 0.0 111.291 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.96 126.95 13.62 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.461 1.904 . . . . 0.0 109.911 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -89.05 -23.98 22.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.512 -1.368 . . . . 0.0 110.872 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -41.29 -1.59 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.422 1 C-N-CA 132.047 4.139 . . . . 0.0 119.496 151.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.66 -56.41 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.438 -2.039 . . . . 0.0 109.254 165.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 33' ' ' PHE 0.272 0.8 OUTLIER -55.97 -22.14 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 -175.977 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -41.33 -36.84 0.88 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 169.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -127.95 119.26 25.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.017 1.327 . . . . 0.0 108.478 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -30.55 -63.89 0.14 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 120.309 3.448 . . . . 0.0 120.309 166.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -25.16 67.77 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.312 -2.117 . . . . 0.0 115.236 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -74.72 -35.29 62.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.534 1.534 . . . . 0.0 109.384 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 9.2 t80 -68.55 -51.9 37.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 124.627 1.171 . . . . 0.0 109.465 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.63 -51.59 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.708 2.003 . . . . 0.0 112.505 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.37 -22.26 61.91 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -85.75 -17.52 35.62 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 119.512 1.051 . . . . 0.0 110.721 173.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.82 -31.09 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.769 2.028 . . . . 0.0 110.847 172.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.83 -39.75 94.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 118.579 -2.576 . . . . 0.0 114.624 168.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -33.48 -52.37 0.39 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 129.055 2.942 . . . . 0.0 116.256 166.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.08 -34.98 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 130.336 3.455 . . . . 0.0 115.549 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.29 43.44 0.84 Allowed Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.794 -1.191 . . . . 0.0 110.66 -172.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.79 113.46 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -127.32 157.39 40.03 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 121.468 1.94 . . . . 0.0 109.556 -168.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.427 6.7 p-80 -111.55 -121.33 0.28 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.571 -1.33 . . . . 0.0 109.326 167.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.85 70.69 1.87 Allowed 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.163 -2.211 . . . . 0.0 108.567 -157.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 -3.47 11.84 Favored Glycine 0 N--CA 1.43 -1.708 0 O-C-N 120.035 -1.665 . . . . 0.0 116.015 -167.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -126.52 155.85 41.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.361 1.065 . . . . 0.0 109.284 -168.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.78 159.61 24.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.539 -1.351 . . . . 0.0 110.998 169.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -84.85 128.41 34.6 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.451 -1.406 . . . . 0.0 109.727 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.53 158.72 16.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.458 1.103 . . . . 0.0 109.993 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -73.2 -10.56 59.9 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.504 -1.372 . . . . 0.0 114.532 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -74.83 -43.15 56.13 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 111.549 171.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 m -71.06 5.27 2.15 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.224 1.809 . . . . 0.0 115.698 -174.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.07 -21.84 66.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.2 -1.563 . . . . 0.0 112.45 163.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -57.26 -53.75 54.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.187 -1.571 . . . . 0.0 112.604 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.4 -26.32 65.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.308 2.243 . . . . 0.0 115.887 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.66 -67.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.183 1.393 . . . . 0.0 111.654 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.72 -12.87 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.748 -1.22 . . . . 0.0 112.818 -157.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -72.19 -19.01 61.81 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 118.966 -2.334 . . . . 0.0 111.928 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -91.48 -17.1 26.25 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.725 . . . . 0.0 111.103 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.78 129.53 34.81 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.122 1.369 . . . . 0.0 110.23 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.604 HG23 ' H ' ' A' ' 63' ' ' GLN . 7.1 m -125.66 -166.58 1.57 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.208 -1.557 . . . . 0.0 107.754 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.604 ' H ' HG23 ' A' ' 62' ' ' THR . 54.2 mm-40 -77.96 -41.59 35.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 118.754 -2.466 . . . . 0.0 112.897 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -51.93 -47.49 64.66 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 124.71 2.195 . . . . 0.0 114.403 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.21 -26.4 35.95 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.291 1.837 . . . . 0.0 112.531 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -53.36 -53.17 55.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.642 1.977 . . . . 0.0 112.816 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -80.34 -30.24 38.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.124 1.77 . . . . 0.0 111.358 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.8 m -53.51 -44.02 68.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.973 1.709 . . . . 0.0 113.362 169.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.76 -57.82 7.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.657 1.983 . . . . 0.0 111.802 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mm -49.93 -52.49 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.924 2.89 . . . . 0.0 113.586 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -51.93 -42.12 62.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.36 1.464 . . . . 0.0 114.633 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.33 -47.43 42.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.983 -1.073 . . . . 0.0 113.618 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -150.52 98.22 2.61 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.7 -1.25 . . . . 0.0 111.635 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -78.43 -41.49 32.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.744 1.218 . . . . 0.0 113.67 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.85 -41.99 11.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 128.56 2.744 . . . . 0.0 117.992 -168.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.05 25.23 Favored Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.232 -1.543 . . . . 0.0 113.598 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.82 -43.61 98.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.204 1.801 . . . . 0.0 111.55 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.16 -49.83 72.77 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.518 1.927 . . . . 0.0 112.523 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.46 -54.73 19.36 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 125.969 1.747 . . . . 0.0 114.788 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.93 -17.13 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.182 -1.775 . . . . 0.0 114.088 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -67.45 -39.49 85.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.668 -1.895 . . . . 0.0 111.328 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -67.22 -31.36 71.69 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.471 -2.018 . . . . 0.0 113.234 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.429 ' CZ ' HD13 ' A' ' 19' ' ' ILE . 6.4 t80 -64.4 -43.95 92.82 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.271 -1.518 . . . . 0.0 111.764 167.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.88 -44.68 82.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.569 2.348 . . . . 0.0 112.706 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.65 -46.06 91.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 111.701 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.5 mmm -69.67 -46.21 66.62 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -95.99 -74.17 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.097 -1.627 . . . . 0.0 115.36 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t -164.09 126.01 2.35 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 116.968 -1.893 . . . . 0.0 112.965 -160.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -111.15 125.09 53.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.921 -1.737 . . . . 0.0 107.063 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? . . . . . 0 N--CA 1.43 -1.446 0 O-C-N 120.525 -1.36 . . . . 0.0 109.413 -171.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 N--CA 1.429 -1.493 0 CA-C-O 121.99 0.9 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.43 149.31 26.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.348 1.459 . . . . 0.0 111.771 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.8 -34.93 73.68 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.321 -1.487 . . . . 0.0 113.61 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.35 -61.16 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.301 2.24 . . . . 0.0 113.743 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -45.76 -52.21 11.44 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 127.714 2.405 . . . . 0.0 114.924 161.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.8 m -51.41 -44.47 62.25 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.245 -2.159 . . . . 0.0 115.425 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -82.12 -33.84 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 120.643 -1.286 . . . . 0.0 110.504 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -56.25 -46.6 79.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 119.574 -1.953 . . . . 0.0 113.363 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.51 -50.17 72.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.983 2.113 . . . . 0.0 113.516 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -53.86 -53.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 125.317 1.447 . . . . 0.0 112.736 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.29 -42.65 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.007 1.723 . . . . 0.0 113.149 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 m -60.3 -54.83 41.01 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.152 1.381 . . . . 0.0 111.85 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.9 t -69.37 -41.71 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.868 -1.145 . . . . 0.0 111.772 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -28.81 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -81.8 -38.81 24.98 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.826 -1.796 . . . . 0.0 111.811 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -41.08 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.55 1.54 . . . . 0.0 112.209 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -43.23 -60.72 1.57 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.036 2.134 . . . . 0.0 116.585 165.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 pt -83.19 -52.21 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -173.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -28.98 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 128.262 2.625 . . . . 0.0 116.026 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -104.84 17.74 23.59 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 122.46 2.391 . . . . 0.0 111.272 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -123.54 -75.99 0.59 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.059 -1.651 . . . . 0.0 114.102 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -142.6 107.19 4.82 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.461 -1.4 . . . . 0.0 113.862 -165.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -87.54 -24.0 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.151 -2.218 . . . . 0.0 112.109 171.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.25 7.8 p-10 -42.05 -0.2 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 130.505 3.522 . . . . 0.0 118.945 151.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mm -100.55 -56.54 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.608 -1.932 . . . . 0.0 110.089 165.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -56.16 -18.38 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 117.47 2.396 . . . . 0.0 117.47 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -49.12 -30.23 6.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 168.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -136.17 109.55 7.88 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.768 1.627 . . . . 0.0 107.054 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.41 -28.26 68.49 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.5 73.16 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 124.695 3.407 . . . . 0.0 116.212 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.34 -53.77 43.54 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.856 1.262 . . . . 0.0 111.281 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -45.07 -54.91 6.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.494 1.918 . . . . 0.0 115.41 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -55.16 -53.76 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.084 2.154 . . . . 0.0 112.517 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.13 68.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.97 -27.04 36.13 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.234 1.014 . . . . 0.0 110.865 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.4 -23.55 34.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.543 -1.348 . . . . 0.0 112.288 171.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.14 -35.35 74.01 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.199 -2.813 . . . . 0.0 113.656 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -34.12 -45.33 0.2 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 160.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mm -49.81 -34.26 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.72 2.808 . . . . 0.0 114.193 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.84 21.33 7.16 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 125.921 1.724 . . . . 0.0 111.624 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -77.11 98.04 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 124.659 1.184 . . . . 0.0 108.409 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.2 145.61 48.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.27 -1.519 . . . . 0.0 111.574 -162.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' HE1' ' O ' ' A' ' 48' ' ' LYS 0.456 12.8 p-80 -109.69 -119.36 0.28 Allowed 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 117.207 -1.378 . . . . 0.0 108.593 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' OE1' ' CD2' ' A' ' 44' ' ' HIS . 3.3 mp0 -105.63 75.04 1.11 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 124.285 3.221 . . . . 0.0 107.138 -167.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.04 -11.77 40.7 Favored Glycine 0 N--CA 1.43 -1.766 0 N-CA-C 118.322 2.089 . . . . 0.0 118.322 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -135.37 152.13 51.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 118.97 1.385 . . . . 0.0 110.056 -157.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 33.2 mmtp -73.91 161.79 29.75 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.301 -1.499 . . . . 0.0 112.458 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.65 124.18 31.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.33 -2.106 . . . . 0.0 111.137 -173.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.51 144.78 32.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.106 1.762 . . . . 0.0 108.629 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.28 -27.32 64.32 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.801 -1.812 . . . . 0.0 113.404 -155.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.56 -20.72 63.59 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.909 2.884 . . . . 0.0 113.209 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -75.89 8.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -59.23 -32.78 70.28 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.89 -2.381 . . . . 0.0 114.328 165.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -62.01 -39.6 92.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.221 173.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.78 -35.83 81.88 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.518 1.927 . . . . 0.0 113.665 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -57.23 -63.92 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.251 1.02 . . . . 0.0 111.046 168.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.16 -24.05 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 121.219 -0.926 . . . . 0.0 111.377 -151.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.5 p -74.38 -37.86 63.32 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 120.977 -1.077 . . . . 0.0 111.966 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -35.69 80.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.035 1.334 . . . . 0.0 113.373 177.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 131.93 45.81 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 121.157 -0.965 . . . . 0.0 111.573 170.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.62 -178.89 3.81 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.713 -1.867 . . . . 0.0 106.276 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -53.83 -40.27 66.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.418 -1.426 . . . . 0.0 113.121 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -50.87 -53.61 30.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 124.574 2.131 . . . . 0.0 113.78 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.31 -46.11 64.9 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 129.947 3.299 . . . . 0.0 112.124 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -44.85 -53.59 7.34 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.03 2.532 . . . . 0.0 112.62 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.257 0.2 OUTLIER -73.21 -38.94 65.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.56 1.544 . . . . 0.0 110.229 176.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.3 m -54.18 -46.09 72.27 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.892 2.133 . . . . 0.0 114.063 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.34 -22.01 28.67 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.59 -1.319 . . . . 0.0 113.072 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.59 -53.17 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.634 -1.291 . . . . 0.0 110.884 160.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.72 -58.37 4.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.191 2.996 . . . . 0.0 116.83 173.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -64.24 -36.23 83.41 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.339 0.2 OUTLIER -132.18 83.43 2.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 123.345 1.545 . . . . 0.0 111.698 172.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -62.39 -43.14 99.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.23 1.812 . . . . 0.0 113.425 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.63 -14.56 63.1 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.75 -53.88 17.69 Favored Glycine 0 N--CA 1.43 -1.729 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.63 -46.47 70.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.82 1.648 . . . . 0.0 112.372 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -54.56 -51.64 64.59 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.18 -28.95 57.38 Favored Glycine 0 N--CA 1.43 -1.72 0 O-C-N 119.486 -2.009 . . . . 0.0 114.841 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.42 3.8 p -75.51 -41.9 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.341 -0.929 . . . . 0.0 113.021 174.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.17 -41.37 86.08 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.045 -1.66 . . . . 0.0 112.201 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -55.09 -51.89 64.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.738 -1.226 . . . . 0.0 113.405 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -43.42 81.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.738 -1.226 . . . . 0.0 112.129 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -54.22 -41.28 68.52 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.001 -2.312 . . . . 0.0 115.316 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.12 -44.18 96.35 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.894 1.278 . . . . 0.0 112.546 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.3 mtt -60.6 -62.68 1.69 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.417 14.2 p90 -75.94 -73.6 0.26 Allowed 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.561 -1.337 . . . . 0.0 113.92 -168.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -159.65 130.51 5.85 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 122.136 2.244 . . . . 0.0 112.255 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.93 150.97 29.75 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.869 1.668 . . . . 0.0 110.281 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.417 0 O-C-N 120.958 -1.089 . . . . 0.0 108.115 -174.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -127.75 -172.7 2.74 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.136 -1.603 . . . . 0.0 108.445 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.31 -32.62 17.26 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.887 -1.758 . . . . 0.0 109.264 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.95 -48.96 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.51 0 C-N-CA 127.926 2.49 . . . . 0.0 111.256 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.31 -53.14 5.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.619 1.968 . . . . 0.0 115.436 158.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -52.2 -67.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 122.354 2.343 . . . . 0.0 113.021 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 61' ' ' LEU . 58.9 t -56.88 -37.64 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 117.042 2.238 . . . . 0.0 117.042 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -67.09 -33.01 74.56 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.622 -1.924 . . . . 0.0 113.898 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -62.84 -53.26 56.97 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.898 2.079 . . . . 0.0 112.187 169.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -42.47 -54.78 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.324 15.1 tt -68.86 -49.12 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.748 2.819 . . . . 0.0 112.357 -175.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m -65.61 -48.29 72.78 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.933 -1.73 . . . . 0.0 113.783 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.49 -47.37 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.157 1.383 . . . . 0.0 111.229 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.25 24.72 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 168.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -66.32 -42.46 88.19 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.339 1.456 . . . . 0.0 110.005 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.92 -39.4 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 124.725 1.21 . . . . 0.0 112.927 172.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -87.21 -46.37 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 120.763 1.619 . . . . 0.0 113.549 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.454 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 31.4 pt -71.89 -23.15 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 123.387 2.812 . . . . 0.0 117.614 -168.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -67.24 -55.39 14.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.736 -1.227 . . . . 0.0 111.164 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -115.92 80.2 1.41 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.516 2.326 . . . . 0.0 111.967 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -173.37 -94.93 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.75 1.22 . . . . 0.0 109.786 161.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -130.88 139.08 50.08 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.532 1.933 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CG ' ' HH ' ' A' ' 83' ' ' TYR . 1.6 mp0 -89.06 -23.18 22.62 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.628 1.104 . . . . 0.0 110.675 167.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -40.13 -40.72 1.14 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -42.27 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 118.587 -2.571 . . . . 0.0 112.356 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.331 0.5 OUTLIER -73.61 -41.52 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.056 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 121.278 3.807 . . . . 0.0 121.278 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -148.21 88.23 1.64 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 168.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -27.2 -38.07 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 120.479 3.511 . . . . 0.0 120.479 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.75 -44.2 2.15 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 168.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.48 -50.85 27.49 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 128.523 2.729 . . . . 0.0 113.531 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -43.72 -46.59 7.59 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 166.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -53.56 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.197 2.199 . . . . 0.0 107.518 -173.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -19.22 63.46 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -80.84 -12.23 59.46 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 123.162 2.71 . . . . 0.0 111.568 168.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.23 -25.44 39.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.999 -1.063 . . . . 0.0 113.018 161.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -63.74 -42.81 97.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.096 -2.253 . . . . 0.0 112.233 165.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -41.17 -50.16 3.53 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 162.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mt -55.49 -40.44 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 13.88 21.56 Favored Glycine 0 N--CA 1.429 -1.804 0 N-CA-C 116.189 1.236 . . . . 0.0 116.189 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.3 1.0 OUTLIER -56.87 108.5 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-O 124.573 2.13 . . . . 0.0 114.269 167.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.1 p -109.07 144.19 37.42 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.598 2.142 . . . . 0.0 112.811 168.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -108.15 -164.53 0.97 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.313 3.045 . . . . 0.0 106.062 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.56 111.71 0.63 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.956 1.707 . . . . 0.0 114.847 -171.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.52 -7.66 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 129.484 3.421 . . . . 0.0 120.792 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -141.15 153.22 45.26 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 120.423 2.111 . . . . 0.0 112.091 -158.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -51.41 142.09 14.24 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.729 -1.857 . . . . 0.0 114.724 164.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.58 112.75 8.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 118.975 -2.328 . . . . 0.0 112.565 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.34 171.0 15.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.941 1.696 . . . . 0.0 113.92 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.79 -43.61 68.32 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.588 2.137 . . . . 0.0 109.535 -170.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -74.32 -8.64 56.94 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 130.921 3.688 . . . . 0.0 113.795 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -67.97 -2.32 7.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.289 -1.507 . . . . 0.0 113.629 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.28 -23.88 59.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.316 1.446 . . . . 0.0 111.309 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -54.55 44.86 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.459 -2.026 . . . . 0.0 113.779 168.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -44.96 -54.83 6.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 128.252 2.621 . . . . 0.0 116.486 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.259 21.0 mm -42.89 -69.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.221 2.608 . . . . 0.0 111.495 163.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 p -71.18 -28.29 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 123.779 2.99 . . . . 0.0 111.88 -161.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -72.68 -51.84 17.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.911 -1.743 . . . . 0.0 113.507 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.36 -36.19 2.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 167.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.408 HD13 HG23 ' A' ' 8' ' ' VAL . 75.7 mt -83.42 103.49 12.83 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 125.986 1.714 . . . . 0.0 113.437 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.0 p -94.4 -158.7 0.65 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.908 -1.745 . . . . 0.0 111.347 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.58 -34.8 78.62 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.231 -1.543 . . . . 0.0 110.781 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -49.19 -46.86 46.16 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.843 2.057 . . . . 0.0 114.489 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -55.56 18.19 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.519 1.128 . . . . 0.0 109.609 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -53.74 -53.94 45.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.719 2.2 . . . . 0.0 110.694 -152.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -80.55 -28.74 37.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 130.158 3.383 . . . . 0.0 110.659 -174.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.8 m -61.24 -49.43 77.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 121.328 1.876 . . . . 0.0 112.306 170.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.07 -61.33 2.1 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.199 1.8 . . . . 0.0 113.823 -167.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -22.4 -56.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 129.115 2.966 . . . . 0.0 117.976 142.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.23 -44.07 66.06 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.602 3.364 . . . . 0.0 113.114 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.98 -45.62 66.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.189 1.396 . . . . 0.0 113.597 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -134.22 99.68 4.47 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.529 -1.357 . . . . 0.0 109.138 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.28 -41.94 47.17 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 110.33 -172.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.44 -36.82 71.89 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 127.816 2.446 . . . . 0.0 116.143 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -44.08 98.3 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 113.025 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.16 -52.66 38.79 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.356 1.062 . . . . 0.0 111.079 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -48.43 -53.1 19.07 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.588 2.355 . . . . 0.0 114.489 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.6 -35.99 92.76 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 116.426 1.33 . . . . 0.0 116.426 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.96 -30.75 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 119.522 1.661 . . . . 0.0 111.811 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.52 -46.13 89.75 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.046 1.738 . . . . 0.0 112.407 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -67.06 -44.93 78.86 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.781 1.232 . . . . 0.0 113.591 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.474 ' HH ' ' CG ' ' A' ' 24' ' ' GLU . 17.1 t80 -59.26 -56.86 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.614 1.166 . . . . 0.0 112.238 176.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.13 -32.04 73.46 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.545 -1.347 . . . . 0.0 114.032 -169.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.78 -43.27 76.05 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 123.99 0.916 . . . . 0.0 112.177 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.0 mtt -78.22 -39.28 40.95 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 113.509 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -78.15 -71.96 0.4 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.442 -1.412 . . . . 0.0 113.665 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.322 3.5 t -144.2 -53.43 0.33 Allowed 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 116.047 -2.261 . . . . 0.0 116.735 -147.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -113.75 99.35 7.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.182 -1.574 . . . . 0.0 110.583 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 N--CA 1.43 -1.456 0 O-C-N 120.495 -1.378 . . . . 0.0 110.203 173.413 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.5 m120 . . . . . 0 N--CA 1.43 -1.439 0 CA-C-O 122.577 1.18 . . . . 0.0 108.08 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -123.07 91.74 3.55 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 124.61 1.164 . . . . 0.0 108.847 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -72.34 -28.75 63.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.534 -1.354 . . . . 0.0 113.05 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 tt -73.62 -25.1 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 121.237 1.835 . . . . 0.0 113.722 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.41 -28.44 62.97 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 118.375 -2.703 . . . . 0.0 113.985 164.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -61.8 -44.51 96.72 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 117.215 -3.428 . . . . 0.0 113.263 167.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.44 -52.9 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.703 3.201 . . . . 0.0 116.693 -177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -57.36 -36.57 71.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.556 -1.965 . . . . 0.0 113.909 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 7.9 mt-10 -60.76 -35.16 75.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 164.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.2 mm -67.68 -41.49 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-N 122.834 2.561 . . . . 0.0 110.309 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.76 -41.85 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 121.08 -1.012 . . . . 0.0 109.611 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -66.58 -59.04 3.98 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.019 1.328 . . . . 0.0 112.426 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.97 -39.74 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.778 1.231 . . . . 0.0 112.827 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.21 67.81 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.136 -1.603 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -64.24 -52.98 56.09 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.118 -0.989 . . . . 0.0 111.265 170.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.1 mt -42.25 -51.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 127.348 2.259 . . . . 0.0 113.936 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -34.85 72.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.181 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 pt -79.91 -48.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 122.467 2.394 . . . . 0.0 114.327 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -30.62 -74.28 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.973 2.909 . . . . 0.0 117.189 169.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -114.74 18.29 16.66 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.377 -1.452 . . . . 0.0 114.219 -175.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -133.34 -94.26 0.32 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.576 -1.327 . . . . 0.0 112.942 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -136.85 116.48 12.94 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 -167.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.03 -36.33 56.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.372 -2.08 . . . . 0.0 113.879 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.88 -30.5 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 129.582 3.153 . . . . 0.0 118.38 162.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -21.06 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 124.929 3.513 . . . . 0.0 114.109 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.8 -22.49 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.862 -1.149 . . . . 0.0 113.817 -174.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.42 -7.05 12.11 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -173.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -148.38 116.02 6.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.333 1.053 . . . . 0.0 110.025 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -26.26 -65.24 0.06 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.87 2.868 . . . . 0.0 116.345 168.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.04 66.92 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 124.975 3.534 . . . . 0.0 118.049 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.34 -20.5 28.21 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.648 -1.282 . . . . 0.0 110.442 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -80.02 -44.8 19.52 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.038 1.335 . . . . 0.0 108.236 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -49.59 -54.01 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 126.592 1.957 . . . . 0.0 111.779 164.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.16 22.59 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -75.77 -29.28 58.74 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.951 -2.343 . . . . 0.0 110.835 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.97 -14.64 60.23 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.307 1.843 . . . . 0.0 110.605 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -21.47 27.87 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.063 -2.273 . . . . 0.0 108.275 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.87 -53.35 33.17 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.083 1.753 . . . . 0.0 112.487 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.88 -34.85 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 126.25 1.82 . . . . 0.0 115.79 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.02 42.44 1.94 Allowed Glycine 0 N--CA 1.429 -1.818 0 O-C-N 120.937 -1.102 . . . . 0.0 114.211 -175.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 112.07 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 121.618 -0.93 . . . . 0.0 111.776 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -120.42 149.31 42.56 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.059 -1.651 . . . . 0.0 107.667 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -133.15 -119.81 0.19 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.997 -1.689 . . . . 0.0 110.086 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.93 58.79 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.756 2.422 . . . . 0.0 116.857 -174.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.05 -27.4 8.31 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 126.858 2.17 . . . . 0.0 113.55 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -124.35 -168.73 1.85 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.165 1.482 . . . . 0.0 112.534 -167.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -81.22 169.25 17.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.324 1.85 . . . . 0.0 107.698 166.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.82 108.49 19.17 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.852 -1.78 . . . . 0.0 110.24 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -108.38 136.03 48.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.24 1.416 . . . . 0.0 110.365 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -76.7 -14.44 59.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.337 -2.102 . . . . 0.0 115.181 -160.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -75.19 -16.47 60.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.568 -1.333 . . . . 0.0 111.846 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 m -88.37 8.88 25.5 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.261 1.425 . . . . 0.0 112.208 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.32 -29.39 70.47 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.468 -2.02 . . . . 0.0 112.264 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -39.79 -46.56 1.95 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.116 -2.24 . . . . 0.0 116.86 157.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -83.25 -19.17 36.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.515 -1.365 . . . . 0.0 111.281 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.48 -75.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 124.276 1.03 . . . . 0.0 109.192 163.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.1 -10.35 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 118.842 -2.411 . . . . 0.0 114.397 -164.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 m -90.65 -23.33 20.8 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.39 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -97.51 -15.95 20.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 122.915 2.598 . . . . 0.0 114.565 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.89 137.01 57.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.448 1.099 . . . . 0.0 110.975 159.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -102.34 -168.4 1.53 Allowed 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -55.15 -53.31 57.56 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.533 -1.98 . . . . 0.0 115.37 159.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.34 -26.05 65.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.071 2.669 . . . . 0.0 113.212 -158.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.01 -44.83 94.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 128.338 2.655 . . . . 0.0 111.659 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.69 -56.67 17.2 Favored 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 124.929 1.292 . . . . 0.0 110.844 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.06 -45.83 68.27 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -41.16 -51.91 3.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 161.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.8 -26.77 18.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 120.724 -1.235 . . . . 0.0 113.336 -171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.3 mt -43.97 -71.05 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 O-C-N 119.19 -2.194 . . . . 0.0 114.206 151.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -46.55 -64.43 0.76 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.404 3.082 . . . . 0.0 117.431 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.6 -40.67 88.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.13 -1.606 . . . . 0.0 113.741 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.31 53.68 0.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.305 -1.497 . . . . 0.0 110.287 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.55 -40.11 77.04 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.532 1.533 . . . . 0.0 112.202 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.05 -27.64 69.25 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.028 -1.67 . . . . 0.0 113.907 172.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -38.08 62.29 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.013 1.292 . . . . 0.0 112.57 171.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.16 -42.68 99.0 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.364 1.466 . . . . 0.0 112.379 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.51 -59.68 4.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.998 1.319 . . . . 0.0 114.094 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.19 -30.68 55.3 Favored Glycine 0 N--CA 1.43 -1.742 0 C-N-CA 125.258 1.408 . . . . 0.0 116.615 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.305 3.5 p -87.16 -33.23 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 123.577 0.751 . . . . 0.0 112.104 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.3 -48.89 79.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.237 1.815 . . . . 0.0 112.99 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -60.98 -41.04 95.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.737 -1.227 . . . . 0.0 112.739 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -40.57 95.35 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.061 -1.024 . . . . 0.0 111.948 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.29 -24.54 66.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.13 -2.231 . . . . 0.0 116.264 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.83 -39.08 70.01 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.366 -1.458 . . . . 0.0 112.385 166.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.8 mtp -57.79 -67.71 0.31 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.299 1.9 p90 -82.18 -75.74 0.29 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -161.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -167.35 160.65 13.6 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 122.576 2.444 . . . . 0.0 110.585 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -101.52 97.51 7.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.099 0.952 . . . . 0.0 109.441 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? . . . . . 0 N--CA 1.43 -1.453 0 O-C-N 120.391 -1.443 . . . . 0.0 110.965 171.451 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 N--CA 1.431 -1.403 0 CA-C-O 121.722 0.772 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.24 -176.93 0.16 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.426 2.29 . . . . 0.0 113.756 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.09 -21.22 27.78 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.198 -2.188 . . . . 0.0 108.818 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.31 -41.69 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.97 1.708 . . . . 0.0 108.249 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -55.03 -63.06 1.27 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.022 1.729 . . . . 0.0 111.992 165.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 m -42.16 -46.14 4.28 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.29 -36.59 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.54 -1.35 . . . . 0.0 110.619 -168.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -72.51 -18.67 61.63 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.965 -1.084 . . . . 0.0 111.982 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -66.17 -52.51 47.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.026 -1.671 . . . . 0.0 112.268 164.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.99 -52.48 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.726 -1.234 . . . . 0.0 112.935 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.29 -40.32 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.493 1.517 . . . . 0.0 112.665 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.4 m -65.87 -55.85 14.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.179 -1.576 . . . . 0.0 112.073 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.27 -43.54 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.2 -1.563 . . . . 0.0 111.72 -174.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.1 -43.69 51.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.587 1.555 . . . . 0.0 114.91 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -71.02 -38.15 72.6 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 124.52 1.128 . . . . 0.0 112.195 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.09 -31.37 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.02 1.728 . . . . 0.0 111.906 173.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.72 -60.24 2.54 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.303 1.441 . . . . 0.0 112.82 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' HH ' ' A' ' 87' ' ' TYR . 8.2 pt -83.02 -19.89 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -163.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.45 -71.53 0.07 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.587 1.54 . . . . 0.0 114.106 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.58 63.6 0.61 Allowed 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.622 -1.299 . . . . 0.0 111.153 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 m -126.7 -94.59 0.46 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -146.65 144.92 29.83 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.346 1.858 . . . . 0.0 107.446 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.96 -13.27 39.34 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 121.097 1.771 . . . . 0.0 112.282 162.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.09 -38.25 37.65 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.372 2.269 . . . . 0.0 114.454 174.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 pt -67.17 -37.01 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 126.226 1.81 . . . . 0.0 114.105 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.02 -39.15 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.3 -1.5 . . . . 0.0 111.082 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' CD ' ' HZ3' ' A' ' 90' ' ' LYS . 11.7 mm-40 -53.27 -38.78 63.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.721 2.408 . . . . 0.0 117.006 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -121.41 90.53 3.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 101.303 -3.591 . . . . 0.0 101.303 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -71.68 -13.38 61.72 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.028 -2.295 . . . . 0.0 115.042 -155.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.22 -54.83 1.76 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.17 1.788 . . . . 0.0 114.452 161.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -47.98 -44.43 30.51 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 120.319 3.452 . . . . 0.0 120.319 163.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.94 -37.38 72.85 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.989 2.516 . . . . 0.0 112.373 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.07 -38.58 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.72 80.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.12 -36.02 2.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 156.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.17 -22.92 41.44 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 123.969 3.077 . . . . 0.0 116.054 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.96 -55.94 25.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.011 -2.305 . . . . 0.0 113.859 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -37.91 -61.54 0.63 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.261 2.689 . . . . 0.0 118.261 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.33 -39.43 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.068 2.147 . . . . 0.0 114.088 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.41 36.03 2.75 Favored Glycine 0 N--CA 1.43 -1.754 0 C-N-CA 125.159 1.362 . . . . 0.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.41 113.69 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.888 -1.36 . . . . 0.0 112.586 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.9 p -113.22 154.22 27.09 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.036 -2.29 . . . . 0.0 113.715 -172.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 34.6 p-80 -109.98 -140.11 0.38 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 155.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.261 0.8 OUTLIER -67.82 89.23 0.27 Allowed 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.419 1.009 . . . . 0.0 112.19 -178.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.99 -25.57 2.58 Favored Glycine 0 N--CA 1.43 -1.757 0 C-N-CA 125.669 1.604 . . . . 0.0 117.102 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -121.94 158.81 28.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.656 -1.496 . . . . 0.0 109.63 -162.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 33.7 mmtm -71.89 172.81 9.24 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.11 -1.618 . . . . 0.0 111.531 176.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 tp -91.18 140.54 29.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.256 -2.153 . . . . 0.0 111.096 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -113.63 -171.44 1.89 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.544 1.938 . . . . 0.0 107.168 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -74.4 -51.97 13.45 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 123.453 1.597 . . . . 0.0 109.498 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -61.19 -31.57 71.32 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 130.286 3.434 . . . . 0.0 113.805 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -58.99 -3.04 0.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.81 -22.82 53.06 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.198 -1.564 . . . . 0.0 112.746 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -46.44 60.72 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.382 1.873 . . . . 0.0 113.084 161.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -56.86 -59.99 4.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 119.979 1.263 . . . . 0.0 112.877 171.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mm -40.24 -63.91 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.504 2.721 . . . . 0.0 114.426 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.01 -14.44 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.813 -1.805 . . . . 0.0 113.16 -170.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -65.1 -48.93 71.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.484 -1.385 . . . . 0.0 112.746 165.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -79.23 -13.11 59.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -172.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.8 120.66 29.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.231 1.412 . . . . 0.0 110.623 -174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -105.36 -174.67 2.59 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 122.743 1.258 . . . . 0.0 111.405 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -55.51 -47.33 76.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.751 2.02 . . . . 0.0 114.046 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.22 -53.82 25.41 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.33 2.252 . . . . 0.0 115.767 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.21 -51.06 70.87 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.797 2.439 . . . . 0.0 111.116 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.93 -38.14 90.0 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-O 122.364 1.078 . . . . 0.0 111.101 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -40.56 63.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.223 1.409 . . . . 0.0 111.172 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.4 m -56.23 -39.76 73.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 127.096 2.158 . . . . 0.0 113.991 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.88 -67.08 0.46 Allowed 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.531 1.532 . . . . 0.0 112.452 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.9 mt -42.68 -48.48 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.935 2.894 . . . . 0.0 115.421 170.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.43 -39.77 64.63 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.06 -39.99 16.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.818 -1.176 . . . . 0.0 112.68 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -106.36 76.5 1.15 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.993 2.117 . . . . 0.0 110.272 -168.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -83.14 -71.12 0.51 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.389 -1.444 . . . . 0.0 112.038 -165.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -75.04 -9.48 58.58 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.878 1.271 . . . . 0.0 112.364 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.46 -47.63 41.58 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.705 -1.247 . . . . 0.0 112.65 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -67.62 -51.11 54.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 124.892 1.277 . . . . 0.0 111.765 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.57 -23.1 62.54 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.096 -1.628 . . . . 0.0 114.375 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.28 -49.99 69.2 Favored Glycine 0 N--CA 1.43 -1.736 0 O-C-N 121.13 -0.981 . . . . 0.0 111.342 172.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.17 -27.26 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.576 -1.543 . . . . 0.0 114.449 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.84 -40.52 76.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.572 -1.33 . . . . 0.0 112.611 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -60.47 -47.13 87.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 172.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -43.22 99.35 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.57 -1.331 . . . . 0.0 111.607 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.82 -50.98 70.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -68.41 -26.23 65.44 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.81 -1.182 . . . . 0.0 114.06 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -68.85 0.38 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 165.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.498 ' HH ' ' CD1' ' A' ' 19' ' ' ILE 0.296 0.0 OUTLIER -79.42 -72.33 0.4 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 123.518 2.872 . . . . 0.0 115.745 -163.298 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t -169.84 135.39 1.43 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 -156.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -98.41 83.96 3.13 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -166.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 95.6 mttt . . . . . 0 N--CA 1.429 -1.478 0 O-C-N 120.705 -1.247 . . . . 0.0 107.87 -172.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 N--CA 1.43 -1.442 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -86.06 80.7 8.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.108 -1.62 . . . . 0.0 108.512 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -34.18 -57.4 0.48 Allowed 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 129.243 3.017 . . . . 0.0 116.004 169.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -34.43 -56.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 159.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.21 -25.31 66.05 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 130.008 3.323 . . . . 0.0 113.46 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.6 m -74.62 -43.4 55.64 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.548 -1.97 . . . . 0.0 109.336 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.47 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 120.997 -1.065 . . . . 0.0 113.691 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.44 3.8 ppt_? -55.2 -28.19 51.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.26 -42.9 92.8 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.587 -1.946 . . . . 0.0 113.657 165.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -75.08 -29.55 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.775 2.08 . . . . 0.0 108.683 -172.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.21 -38.54 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.756 -1.215 . . . . 0.0 111.403 171.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -68.6 -58.85 3.67 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.848 1.659 . . . . 0.0 111.831 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.76 -37.95 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 O-C-N 120.826 -1.171 . . . . 0.0 112.711 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.23 -63.53 0.97 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 159.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -57.81 -41.75 82.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.148 -1.595 . . . . 0.0 114.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.97 -44.46 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 124.822 1.249 . . . . 0.0 113.222 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.67 -63.84 1.01 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.448 1.499 . . . . 0.0 113.915 170.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.2 pt -72.12 -21.68 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.645 -1.285 . . . . 0.0 114.22 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.83 -57.37 10.44 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -115.66 19.8 15.06 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.7 p -138.43 -96.77 0.18 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.171 2.26 . . . . 0.0 111.91 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 118.8 14.5 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.722 1.601 . . . . 0.0 114.277 -165.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.04 -28.46 68.24 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.65 2.38 . . . . 0.0 117.166 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.91 -4.57 21.08 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -84.28 -32.89 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 C-N-CA 125.651 1.58 . . . . 0.0 112.069 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.51 -16.06 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.77 -1.831 . . . . 0.0 113.149 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -38.61 -59.91 0.87 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 155.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -102.25 101.05 11.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 122.449 2.386 . . . . 0.0 107.036 161.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.28 87.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.653 1.181 . . . . 0.0 113.958 -162.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.79 -22.64 25.57 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -85.83 -10.32 55.6 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.629 -1.919 . . . . 0.0 112.614 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.61 -42.89 57.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.054 -2.279 . . . . 0.0 109.538 167.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -53.35 -36.08 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 125.82 1.648 . . . . 0.0 112.906 168.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.7 -38.01 2.92 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 118.971 -2.331 . . . . 0.0 116.279 156.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.09 -38.76 31.04 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.17 -2.206 . . . . 0.0 114.38 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -43.04 -34.88 1.1 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.359 2.263 . . . . 0.0 114.002 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.53 -38.66 45.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.047 2.539 . . . . 0.0 115.997 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mt -86.66 -40.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.929 2.092 . . . . 0.0 108.952 -170.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.13 42.77 0.69 Allowed Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 124.554 1.073 . . . . 0.0 114.659 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -54.16 107.08 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 127.366 2.266 . . . . 0.0 114.805 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.3 p -123.76 150.34 44.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.557 -1.965 . . . . 0.0 111.888 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.274 0.5 OUTLIER -121.9 -135.35 0.31 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 116.041 -1.933 . . . . 0.0 107.624 168.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -72.18 60.31 0.42 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 122.25 2.296 . . . . 0.0 115.612 -166.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.98 -31.11 9.03 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 127.611 2.529 . . . . 0.0 114.198 -171.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -121.61 177.82 5.08 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 122.294 3.047 . . . . 0.0 113.84 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -70.77 157.11 38.62 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.286 2.635 . . . . 0.0 110.362 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.37 124.89 34.86 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 123.873 0.869 . . . . 0.0 108.879 -176.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -107.54 -172.84 2.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.479 1.911 . . . . 0.0 108.882 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.56 -41.05 16.84 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.064 -2.272 . . . . 0.0 109.53 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -58.62 -10.22 2.14 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 170.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -18.12 63.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 130.181 3.392 . . . . 0.0 117.343 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.85 -55.55 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -40.38 -52.76 2.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.333 2.253 . . . . 0.0 115.877 170.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -62.06 -43.48 98.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 129.761 3.225 . . . . 0.0 112.378 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.92 -48.83 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 122.699 1.237 . . . . 0.0 110.381 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 60' ' ' GLU . 72.0 t -70.49 -43.78 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.742 1.617 . . . . 0.0 112.543 -164.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -11.41 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.103 3.371 . . . . 0.0 120.103 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 58' ' ' VAL . 35.3 mt-10 -109.74 -26.65 9.74 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.35 1.46 . . . . 0.0 114.139 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.03 138.63 55.99 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 129.045 2.938 . . . . 0.0 113.03 164.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -124.69 -160.36 0.94 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 102.553 -3.129 . . . . 0.0 102.553 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.584 2.447 . . . . 0.0 115.456 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -34.9 -56.47 0.56 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 154.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -60.76 2.8 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.547 2.739 . . . . 0.0 111.89 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -44.66 -54.18 6.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.224 1.81 . . . . 0.0 114.2 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -63.19 -42.29 99.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.44 -1.412 . . . . 0.0 112.868 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -67.26 -50.26 61.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.401 3.08 . . . . 0.0 114.213 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.95 -47.71 80.03 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.056 2.142 . . . . 0.0 113.625 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.24 -62.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.353 2.661 . . . . 0.0 111.597 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.32 -48.23 6.82 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.22 2.208 . . . . 0.0 116.245 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -80.76 -46.17 15.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -120.59 47.2 1.83 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.167 -1.583 . . . . 0.0 112.681 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -38.42 90.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.384 -1.447 . . . . 0.0 113.033 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.67 -42.91 98.01 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.381 1.873 . . . . 0.0 113.131 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.31 -42.09 76.14 Favored Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 124.852 1.215 . . . . 0.0 113.297 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.12 -48.43 81.64 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.896 1.278 . . . . 0.0 113.438 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -65.51 -52.9 49.36 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.823 -1.798 . . . . 0.0 112.77 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.95 -31.4 2.79 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 119.897 2.719 . . . . 0.0 119.897 166.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.263 4.1 p -90.54 -37.87 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 CA-C-N 117.869 0.834 . . . . 0.0 111.112 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -56.82 -47.47 80.2 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.88 1.672 . . . . 0.0 113.138 170.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 -41.3 85.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.631 -1.293 . . . . 0.0 113.544 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.61 -51.51 68.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 123.929 0.892 . . . . 0.0 113.313 170.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.69 -43.21 57.56 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.745 2.018 . . . . 0.0 114.657 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.77 -56.15 17.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.747 -1.221 . . . . 0.0 112.565 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.5 mtt -54.72 -30.36 55.85 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.024 2.602 . . . . 0.0 118.024 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -114.02 -78.36 0.58 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t -178.49 159.27 1.16 Allowed 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 120.144 1.338 . . . . 0.0 110.743 -165.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -110.68 150.48 28.97 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.542 1.137 . . . . 0.0 110.9 -160.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp . . . . . 0 N--CA 1.43 -1.449 0 O-C-N 118.937 -2.352 . . . . 0.0 110.731 167.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 121.216 0.531 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -113.45 90.54 3.37 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.92 -39.34 81.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.463 -1.398 . . . . 0.0 112.145 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -40.9 -49.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 130.124 3.37 . . . . 0.0 117.161 163.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.22 -50.32 68.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.873 2.069 . . . . 0.0 111.221 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.7 m -62.66 -48.54 78.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.208 -0.933 . . . . 0.0 111.699 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.76 -44.42 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 121.071 -1.018 . . . . 0.0 111.002 -170.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -55.81 -26.9 48.61 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -74.15 -47.97 32.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.336 -0.852 . . . . 0.0 113.155 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -42.86 -58.5 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 127.517 2.327 . . . . 0.0 115.19 162.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.97 -62.69 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 120.641 1.564 . . . . 0.0 112.565 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.4 m -40.08 -55.16 2.15 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.058 2.143 . . . . 0.0 115.994 174.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.37 -40.04 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.236 -1.54 . . . . 0.0 109.881 -168.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.96 -47.59 71.17 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.727 1.611 . . . . 0.0 113.778 169.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -57.41 -42.49 82.39 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 171.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.26 -42.1 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 125.915 1.686 . . . . 0.0 113.136 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -73.08 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 128.255 2.622 . . . . 0.0 113.131 156.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.292 20.2 pt -69.47 -34.0 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 117.137 -3.477 . . . . 0.0 119.306 -161.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -30.25 71.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 120.358 3.466 . . . . 0.0 120.358 -162.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -110.97 15.59 21.66 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.489 -2.632 . . . . 0.0 112.246 167.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.9 m -118.69 -86.1 0.65 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -173.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -176.53 104.67 0.06 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.329 -0.857 . . . . 0.0 112.071 -152.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 3.1 mp0 -27.98 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.402 1 N-CA-C 123.715 4.709 . . . . 0.0 123.715 155.209 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -43.24 -38.21 2.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -53.13 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.013 -1.679 . . . . 0.0 112.792 170.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 p -70.46 -22.21 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.51 -6.68 49.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 116.874 -3.641 . . . . 0.0 114.643 -165.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -136.16 150.46 49.06 Favored 'General case' 0 N--CA 1.429 -1.512 1 N-CA-C 98.852 -4.499 . . . . 0.0 98.852 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.454 21.5 ptt-85 -89.33 -32.49 17.31 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 116.34 -2.144 . . . . 0.0 116.196 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -36.19 -55.13 0.8 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.745 2.418 . . . . 0.0 115.931 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.27 -49.58 66.64 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.864 2.066 . . . . 0.0 112.43 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -47.01 12.62 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.18 2.592 . . . . 0.0 112.144 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.33 -55.07 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.589 2.756 . . . . 0.0 109.88 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.63 19.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 131.532 3.933 . . . . 0.0 116.009 167.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.76 -45.67 49.78 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 121.628 2.013 . . . . 0.0 113.552 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.288 11.9 mt -61.12 -46.88 88.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 110.53 -3.032 . . . . 0.0 114.744 170.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.47 -39.86 77.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.637 1.975 . . . . 0.0 113.086 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.28 -44.36 91.93 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.539 3.135 . . . . 0.0 112.796 175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.25 -34.74 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-O 124.757 2.217 . . . . 0.0 109.392 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.55 24.36 3.46 Favored Glycine 0 N--CA 1.431 -1.683 1 C-N-CA 131.491 4.377 . . . . 0.0 114.841 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -76.41 105.66 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 121.029 2.414 . . . . 0.0 108.357 -168.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -110.61 -172.93 2.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.407 -2.058 . . . . 0.0 111.625 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -148.03 -166.7 2.6 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 104.436 -2.431 . . . . 0.0 104.436 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -44.71 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.78 -4.71 60.03 Favored Glycine 0 N--CA 1.429 -1.796 0 O-C-N 119.852 -1.78 . . . . 0.0 116.549 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -133.85 -170.69 2.56 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.257 1.423 . . . . 0.0 109.337 -167.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -89.28 -165.06 1.25 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 159.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.87 119.15 37.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -108.6 145.32 35.08 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.37 -36.72 83.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 120.571 1.532 . . . . 0.0 112.827 -172.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.42 -23.11 64.13 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 130.588 3.555 . . . . 0.0 115.685 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -70.56 21.56 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.203 2.201 . . . . 0.0 115.261 170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -79.6 -18.82 50.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.41 -2.056 . . . . 0.0 112.245 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.57 -39.33 77.41 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.714 -1.241 . . . . 0.0 108.818 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -58.85 -50.42 74.04 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.461 1.904 . . . . 0.0 111.93 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.6 mm -51.56 -56.28 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 m -84.22 -37.87 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 119.022 -2.298 . . . . 0.0 114.321 -164.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 m -72.11 -22.21 61.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.905 1.812 . . . . 0.0 111.687 -157.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.17 7.33 29.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 131.06 3.744 . . . . 0.0 113.586 -174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.2 mt -93.61 108.15 19.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.1 p -101.49 -158.36 0.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 122.742 1.258 . . . . 0.0 111.373 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -38.37 88.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.528 2.331 . . . . 0.0 115.713 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.174 2.19 . . . . 0.0 112.341 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -49.25 -71.76 0.06 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.017 2.127 . . . . 0.0 110.96 162.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -39.66 -55.33 1.9 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -170.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.87 16.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.968 -1.708 . . . . 0.0 114.914 172.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -49.55 -56.9 8.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.909 2.484 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.25 -41.63 89.21 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.582 1.658 . . . . 0.0 110.779 -173.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.42 -36.45 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.178 1.791 . . . . 0.0 112.235 -174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.33 -41.62 63.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.53 -1.981 . . . . 0.0 110.915 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.4 -43.6 14.53 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 114.44 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -114.2 40.76 2.43 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.247 -1.533 . . . . 0.0 111.842 -170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.66 -27.84 66.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.908 1.683 . . . . 0.0 113.749 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.95 -37.59 45.4 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.274 2.23 . . . . 0.0 115.304 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.48 -41.03 9.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 124.373 0.987 . . . . 0.0 111.461 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.26 -41.94 96.7 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.606 1.562 . . . . 0.0 112.972 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.94 -49.07 74.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.273 1.429 . . . . 0.0 114.224 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.02 42.74 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 119.739 -1.85 . . . . 0.0 113.981 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.29 4.4 m -58.7 -19.78 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.03 -50.14 73.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.014 -1.679 . . . . 0.0 111.711 168.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -68.86 -46.8 67.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.477 1.511 . . . . 0.0 112.704 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -36.78 82.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.083 -1.636 . . . . 0.0 113.044 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.79 -47.9 70.33 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.222 1.828 . . . . 0.0 113.664 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.48 -16.58 62.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.497 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 73.7 mtp -80.96 -67.52 0.77 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 123.252 2.751 . . . . 0.0 113.034 161.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.276 7.9 p90 -60.49 -22.15 63.2 Favored 'General case' 0 N--CA 1.43 -1.438 1 N-CA-C 126.252 5.649 . . . . 0.0 126.252 -167.568 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 122.89 156.71 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 128.17 2.588 . . . . 0.0 112.988 174.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -94.51 100.66 12.6 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.223 -2.173 . . . . 0.0 107.568 161.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 pttm . . . . . 0 N--CA 1.428 -1.547 0 C-N-CA 125.724 1.61 . . . . 0.0 111.625 -171.318 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 122.61 1.195 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -139.05 71.92 1.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.897 2.479 . . . . 0.0 108.884 -172.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -58.27 -28.45 64.96 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.334 -1.479 . . . . 0.0 114.307 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.73 -49.12 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 127.314 2.246 . . . . 0.0 114.107 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -44.67 -53.26 7.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.622 3.169 . . . . 0.0 113.269 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.4 m -56.42 -56.54 19.94 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.695 1.598 . . . . 0.0 114.524 171.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.2 -51.66 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 120.588 -1.32 . . . . 0.0 113.963 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -64.65 -28.23 69.47 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 122.71 2.505 . . . . 0.0 113.013 -167.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.68 -53.92 52.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.257 1.823 . . . . 0.0 113.353 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.05 -29.7 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.298 2.239 . . . . 0.0 113.431 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -80.57 -46.24 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 108.156 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -52.98 -57.74 9.33 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.944 2.498 . . . . 0.0 113.126 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.01 -33.36 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.626 -1.296 . . . . 0.0 112.702 -171.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.06 26.83 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 123.688 0.795 . . . . 0.0 112.641 166.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -56.88 -35.28 68.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.499 1.92 . . . . 0.0 114.521 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.15 -42.28 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.361 -1.462 . . . . 0.0 112.791 172.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.9 -28.7 22.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.256 -1.528 . . . . 0.0 112.257 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.404 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 9.0 pt -90.59 -24.23 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.144 -2.848 . . . . 0.0 117.243 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -70.84 -92.11 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.309 -2.119 . . . . 0.0 112.799 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -94.71 74.38 3.67 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.328 2.331 . . . . 0.0 110.593 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -171.5 -87.5 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.245 1.018 . . . . 0.0 111.894 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -147.3 101.75 3.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.299 -1.501 . . . . 0.0 111.769 -162.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' CG ' ' HH ' ' A' ' 83' ' ' TYR . 3.1 mp0 -86.15 -30.02 22.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.399 -2.063 . . . . 0.0 111.069 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -50.05 -28.76 7.56 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 128.041 2.536 . . . . 0.0 115.248 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.78 -40.68 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.606 1.962 . . . . 0.0 111.339 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -21.41 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.73 -49.04 77.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.535 1.534 . . . . 0.0 114.275 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.45 96.42 7.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.074 1.75 . . . . 0.0 107.585 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -61.81 -22.83 65.8 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 -169.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.84 -15.55 56.06 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 122.54 2.427 . . . . 0.0 112.535 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -73.25 -51.91 15.94 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.91 -50.95 60.08 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.544 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.93 -53.33 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 124.903 1.281 . . . . 0.0 110.658 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.15 -20.26 64.02 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.817 -0.552 . . . . 0.0 111.986 -170.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -86.19 -24.16 26.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.794 1.638 . . . . 0.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -72.71 -25.39 61.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.619 -2.551 . . . . 0.0 111.42 171.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -76.65 -32.84 58.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.706 -1.871 . . . . 0.0 115.129 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -46.06 -42.53 13.56 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.202 2.201 . . . . 0.0 115.346 164.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.0 -30.88 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 126.783 2.033 . . . . 0.0 114.251 170.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.81 35.12 5.71 Favored Glycine 0 N--CA 1.429 -1.774 0 O-C-N 120.499 -1.375 . . . . 0.0 111.691 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.47 121.94 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -141.67 167.11 22.92 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.823 2.049 . . . . 0.0 106.698 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.275 35.4 m80 -137.33 -115.61 0.16 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.552 -1.342 . . . . 0.0 113.842 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.83 61.76 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 127.59 2.356 . . . . 0.0 115.993 -167.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.02 -8.4 60.47 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 126.646 2.069 . . . . 0.0 112.663 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -135.15 173.21 11.97 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.078 1.351 . . . . 0.0 111.569 -167.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 166.91 8.23 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.647 1.979 . . . . 0.0 112.617 166.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -84.25 113.57 21.2 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.725 -1.234 . . . . 0.0 108.543 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -109.93 155.13 22.14 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.59 -28.75 59.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -166.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.59 -37.34 86.95 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.557 -1.34 . . . . 0.0 112.622 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.2 m -71.31 18.6 0.07 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -96.0 -15.29 22.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.776 -1.827 . . . . 0.0 108.462 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -50.87 -49.67 58.69 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.189 -2.194 . . . . 0.0 115.167 157.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.55 -51.88 66.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.363 2.265 . . . . 0.0 114.554 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mt -46.84 -59.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.09 1.756 . . . . 0.0 114.331 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -84.0 -16.22 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.449 -1.407 . . . . 0.0 112.951 -165.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -72.03 -36.13 69.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.328 -1.483 . . . . 0.0 109.874 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.65 -28.23 64.64 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.22 113.25 25.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.514 1.526 . . . . 0.0 114.608 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -96.27 -158.06 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.002 -1.686 . . . . 0.0 110.239 169.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.04 -21.44 61.38 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.561 2.744 . . . . 0.0 112.592 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.39 -46.96 3.49 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.196 2.998 . . . . 0.0 115.628 167.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -63.81 1.16 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.283 1.833 . . . . 0.0 113.73 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -35.31 -63.75 0.32 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 130.279 3.432 . . . . 0.0 113.692 169.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -56.68 4.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 m -63.72 -47.58 80.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 130.678 3.591 . . . . 0.0 110.671 -172.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.02 -49.42 67.79 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.09 1.356 . . . . 0.0 108.531 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.86 -51.44 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 128.169 2.587 . . . . 0.0 111.578 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.45 -46.47 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -78.04 -45.61 23.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.003 -1.061 . . . . 0.0 113.386 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.84 135.03 18.06 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.043 1.401 . . . . 0.0 113.918 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -87.65 -35.86 17.78 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.34 -1.475 . . . . 0.0 113.661 -177.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -59.36 -38.12 79.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -164.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.73 -43.84 13.86 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.586 -1.321 . . . . 0.0 112.474 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -60.75 -51.37 69.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.925 1.69 . . . . 0.0 112.222 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.9 -45.67 88.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.21 -0.931 . . . . 0.0 112.29 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.6 -52.98 27.11 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.973 1.749 . . . . 0.0 114.583 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 p -74.23 -32.58 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 118.987 1.394 . . . . 0.0 113.804 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.26 -38.48 91.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.589 -1.945 . . . . 0.0 112.288 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -60.91 -37.55 82.66 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.054 1.342 . . . . 0.0 113.433 169.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.44 ' HH ' ' CG ' ' A' ' 24' ' ' GLU . 23.1 t80 -61.69 -49.64 75.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.663 -1.273 . . . . 0.0 111.968 168.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.14 -46.61 68.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.176 -1.577 . . . . 0.0 115.03 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.59 -30.58 64.51 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.614 -1.304 . . . . 0.0 113.579 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.5 mtt -85.94 -41.18 15.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.868 -1.77 . . . . 0.0 113.239 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -101.68 -74.51 0.62 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 111.847 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -167.48 154.62 8.52 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 120.83 1.65 . . . . 0.0 110.786 -173.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -88.6 143.69 26.79 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.842 -1.786 . . . . 0.0 109.863 174.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 N--CA 1.429 -1.497 0 O-C-N 120.429 -1.419 . . . . 0.0 109.945 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -163.97 -36.18 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.706 -1.246 . . . . 0.0 111.798 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -49.94 -29.01 7.57 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.275 -2.141 . . . . 0.0 114.453 164.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.6 -44.46 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 126.852 2.061 . . . . 0.0 111.991 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -51.28 -53.62 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 130.304 3.442 . . . . 0.0 112.511 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.9 m -53.7 -52.0 61.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 124.342 1.057 . . . . 0.0 112.861 172.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.7 t -66.39 -47.82 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -57.8 -37.59 74.03 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-O 123.329 1.538 . . . . 0.0 112.319 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.7 -50.24 63.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.534 2.334 . . . . 0.0 111.464 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.23 -54.28 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 119.968 1.258 . . . . 0.0 112.347 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.86 -39.38 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -63.81 -46.23 86.06 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.838 -1.789 . . . . 0.0 112.759 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.87 -29.89 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 121.421 -0.799 . . . . 0.0 111.495 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.49 45.92 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.992 -1.068 . . . . 0.0 113.425 168.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -51.34 -34.59 34.48 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.644 2.378 . . . . 0.0 115.286 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.77 -55.62 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.59 1.556 . . . . 0.0 110.756 171.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -29.03 50.3 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.74 -1.225 . . . . 0.0 112.829 -173.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 pt -77.62 -27.11 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 118.563 -2.586 . . . . 0.0 115.351 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -79.25 0.17 Allowed 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.309 -1.494 . . . . 0.0 109.411 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -53.08 20.74 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 135.158 5.383 . . . . 0.0 119.003 165.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -168.63 -68.95 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 122.179 2.263 . . . . 0.0 114.643 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -147.82 100.18 3.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.306 -1.496 . . . . 0.0 112.412 -160.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.2 -37.2 22.14 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.347 -1.471 . . . . 0.0 110.384 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -53.7 -13.78 0.76 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.88 -41.93 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.321 2.248 . . . . 0.0 112.233 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.54 -30.71 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.191 -2.193 . . . . 0.0 112.708 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.62 -39.81 0.36 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.259 3.024 . . . . 0.0 115.45 164.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -127.22 94.33 3.98 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.623 -3.103 . . . . 0.0 102.623 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -30.3 71.46 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.262 -2.149 . . . . 0.0 116.235 -151.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.86 -16.59 61.59 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.245 -2.159 . . . . 0.0 113.008 -171.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -69.02 -49.33 58.65 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 128.67 2.788 . . . . 0.0 110.795 172.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -58.23 -49.64 76.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.784 1.754 . . . . 0.0 111.884 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.07 -43.34 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.987 2.115 . . . . 0.0 111.017 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.22 70.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.256 1.979 . . . . 0.0 111.418 -172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -86.01 -33.54 21.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.29 2.636 . . . . 0.0 111.775 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.11 -42.68 91.1 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 118.677 -2.514 . . . . 0.0 112.592 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' HB3' ' A' ' 48' ' ' LYS . 19.5 m-80 -51.96 -55.41 20.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.487 -1.383 . . . . 0.0 114.466 176.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -34.04 -46.43 0.24 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 127.105 2.162 . . . . 0.0 116.822 167.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' HB ' HG21 ' A' ' 42' ' ' VAL . 10.5 mt -56.3 -38.48 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.98 1.712 . . . . 0.0 113.125 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.11 46.24 0.83 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 124.934 1.254 . . . . 0.0 111.449 -168.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG21 ' HB ' ' A' ' 40' ' ' ILE . 24.8 t -108.12 116.29 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 109.178 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.2 p -126.5 151.15 48.2 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 127.685 2.394 . . . . 0.0 108.403 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 49' ' ' LEU . 56.9 m170 -114.17 -118.86 0.31 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.251 -0.905 . . . . 0.0 109.429 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -76.16 85.53 3.0 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.473 -0.767 . . . . 0.0 112.203 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.56 -26.05 0.28 Allowed Glycine 0 N--CA 1.429 -1.768 0 O-C-N 116.798 -3.689 . . . . 0.0 121.629 -171.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -125.5 -165.07 1.36 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -167.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . 42.3 mmtm -92.42 -154.3 0.38 Allowed 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 123.388 2.813 . . . . 0.0 105.646 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 44' ' ' HIS . 63.1 tp -98.72 128.14 44.87 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 123.475 2.852 . . . . 0.0 109.284 160.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -91.07 169.64 10.7 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.505 -1.372 . . . . 0.0 110.513 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -71.29 -42.28 68.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.287 -1.508 . . . . 0.0 109.676 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -49.7 -37.52 29.36 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.829 2.052 . . . . 0.0 116.075 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -68.43 -0.64 5.18 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -168.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.67 -18.45 64.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.394 -1.441 . . . . 0.0 114.005 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -56.32 -54.45 45.35 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.367 -2.083 . . . . 0.0 113.834 160.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -57.33 -44.27 84.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.498 2.319 . . . . 0.0 115.657 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -47.58 -68.4 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 127.134 2.174 . . . . 0.0 114.169 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.63 -25.03 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.332 1.053 . . . . 0.0 113.547 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.5 m -65.84 -49.86 66.68 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.535 -1.353 . . . . 0.0 111.403 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -47.54 85.94 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.76 130.09 44.87 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.389 2.276 . . . . 0.0 114.732 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -108.15 -169.49 1.52 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.49 -1.382 . . . . 0.0 111.483 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -80.02 -26.93 39.6 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.4 -1.437 . . . . 0.0 111.787 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.28 -51.2 65.35 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.29 1.836 . . . . 0.0 113.237 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -53.54 -60.96 2.64 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 128.521 2.728 . . . . 0.0 114.336 172.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -32.99 -56.28 0.38 Allowed 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 165.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.209 -1.557 . . . . 0.0 113.043 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -60.76 -33.07 72.39 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.948 -1.72 . . . . 0.0 113.626 163.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.6 tp -78.01 -37.65 46.59 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.529 -2.607 . . . . 0.0 110.432 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.84 -40.76 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 124.972 1.309 . . . . 0.0 109.83 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.23 -45.56 92.81 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 171.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -69.38 -47.72 63.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.174 -1.579 . . . . 0.0 114.037 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -145.99 96.79 2.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.143 0.973 . . . . 0.0 112.157 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.2 -31.93 71.69 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.083 1.353 . . . . 0.0 113.394 169.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.85 -49.42 49.22 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 129.191 2.997 . . . . 0.0 116.001 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.35 -31.51 63.42 Favored Glycine 0 N--CA 1.43 -1.721 0 O-C-N 121.335 -0.853 . . . . 0.0 112.972 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -71.33 -50.53 31.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.103 1.361 . . . . 0.0 112.004 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.02 -46.2 71.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.663 1.185 . . . . 0.0 112.601 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.23 -52.13 13.62 Favored Glycine 0 N--CA 1.43 -1.709 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 167.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.22 -23.95 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.866 -1.373 . . . . 0.0 113.437 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.26 -45.71 92.06 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.873 1.669 . . . . 0.0 112.347 170.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -69.7 -26.09 64.19 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.973 -1.704 . . . . 0.0 114.057 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -68.48 -49.24 61.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.564 -1.335 . . . . 0.0 110.377 166.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp -50.23 -57.3 8.1 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 127.705 2.402 . . . . 0.0 115.126 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -34.5 -72.96 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.092 2.557 . . . . 0.0 116.417 154.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.7 mmt -82.71 -29.32 29.93 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 123.864 3.029 . . . . 0.0 114.483 -165.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.32 -73.26 0.57 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.929 -1.107 . . . . 0.0 112.423 -173.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.22 135.99 1.01 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 118.21 -1.396 . . . . 0.0 108.088 -155.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -111.0 140.75 45.26 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.455 0 O-C-N 121.18 -0.95 . . . . 0.0 111.026 -163.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.9 152.58 32.04 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 158.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.98 -41.47 35.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 117.897 -3.002 . . . . 0.0 108.562 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 mt -53.6 -27.76 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 128.202 2.601 . . . . 0.0 115.601 166.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.16 -56.92 15.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.033 -1.667 . . . . 0.0 113.848 161.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -65.05 -50.21 67.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.114 -0.991 . . . . 0.0 113.256 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.91 -50.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.201 2.2 . . . . 0.0 115.401 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -82.29 -9.29 59.53 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 112.745 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.8 -38.25 67.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.314 -1.491 . . . . 0.0 111.265 162.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.34 -60.02 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.041 1.336 . . . . 0.0 112.015 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.275 0.0 OUTLIER -66.65 -32.11 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.85 -1.781 . . . . 0.0 115.16 -175.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -71.29 -43.89 66.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.083 -2.26 . . . . 0.0 111.04 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.7 -32.99 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 121.174 -0.954 . . . . 0.0 110.236 -172.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.66 82.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.46 -1.4 . . . . 0.0 112.893 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -54.22 -36.77 63.86 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -65.86 -55.53 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.511 -1.993 . . . . 0.0 113.089 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -39.21 -57.36 1.35 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.304 2.242 . . . . 0.0 115.282 161.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.26 16.4 pt -76.53 -41.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 117.908 -2.995 . . . . 0.0 114.93 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -75.18 -33.87 61.48 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 116.976 -1.488 . . . . 0.0 113.776 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -110.85 13.86 22.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 122.035 2.198 . . . . 0.0 113.942 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -138.95 -80.95 0.31 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -150.03 112.86 4.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.382 -1.449 . . . . 0.0 114.751 -164.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.03 -47.95 81.54 Favored 'General case' 0 N--CA 1.43 -1.43 1 C-N-CA 131.712 4.005 . . . . 0.0 119.607 153.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -30.85 -44.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 167.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.21 -52.63 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 119.392 -2.067 . . . . 0.0 112.257 171.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -9.94 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.733 2.813 . . . . 0.0 118.179 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.65 -56.78 11.67 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 118.157 -2.839 . . . . 0.0 111.016 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -96.56 152.18 18.88 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.531 1.634 . . . . 0.0 107.415 170.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 mtm-85 -90.56 -31.2 16.81 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.419 -1.425 . . . . 0.0 111.307 -166.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.32 -12.76 15.04 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.924 2.089 . . . . 0.0 115.569 168.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.81 -51.55 5.03 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -43.29 -40.65 3.62 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 169.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -42.11 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 129.879 3.272 . . . . 0.0 112.761 -174.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.65 -53.57 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 117.44 -3.287 . . . . 0.0 116.098 158.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -61.44 -24.47 66.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.12 -26.79 48.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.917 1.287 . . . . 0.0 113.101 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.37 -32.18 73.41 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.588 -1.945 . . . . 0.0 113.593 171.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.06 -53.44 58.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.442 1.897 . . . . 0.0 115.895 171.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mt -46.69 -39.22 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.899 1.68 . . . . 0.0 112.109 164.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.86 43.39 7.7 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 124.451 1.024 . . . . 0.0 110.937 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -87.27 98.96 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p -103.06 -170.47 1.8 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.035 1.334 . . . . 0.0 107.821 -165.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.785 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 41.2 p-80 -160.09 -115.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.785 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 36.0 tt0 -83.34 77.5 9.78 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.958 -1.714 . . . . 0.0 110.577 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.47 -12.84 19.04 Favored Glycine 0 N--CA 1.431 -1.662 0 O-C-N 117.254 -3.404 . . . . 0.0 118.575 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -129.22 -168.73 1.98 Allowed 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.214 -1.168 . . . . 0.0 112.36 -165.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 54.9 mmtt -98.4 -175.12 3.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.063 2.145 . . . . 0.0 110.606 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.68 122.97 42.58 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.541 1.936 . . . . 0.0 106.892 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -109.67 168.35 9.47 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.88 -1.763 . . . . 0.0 108.655 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -77.14 -26.58 53.3 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 124.489 2.09 . . . . 0.0 111.174 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.67 -5.36 59.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.531 2.732 . . . . 0.0 114.689 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 p -79.3 18.27 0.71 Allowed 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.81 -1.806 . . . . 0.0 115.51 -166.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -64.36 -52.0 60.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.144 2.178 . . . . 0.0 113.941 -167.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -47.2 -37.3 10.05 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.19 -20.99 43.47 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.416 -1.428 . . . . 0.0 111.296 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.92 -56.18 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-O 117.815 -1.088 . . . . 0.0 112.129 167.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.39 -17.48 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 125.263 3.665 . . . . 0.0 115.296 -157.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.2 t -86.43 -17.29 34.69 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.185 -1.572 . . . . 0.0 111.257 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -76.43 -10.62 59.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.742 1.217 . . . . 0.0 113.628 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -107.56 138.08 44.43 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 127.091 2.157 . . . . 0.0 108.241 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -97.84 -157.25 0.58 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.125 -1.609 . . . . 0.0 108.509 173.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.16 -20.3 52.56 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.283 -2.136 . . . . 0.0 116.598 170.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.18 -27.85 66.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.42 -1.425 . . . . 0.0 111.585 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -57.72 -52.77 64.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.891 1.276 . . . . 0.0 112.254 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -48.0 -51.29 24.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.448 3.099 . . . . 0.0 114.132 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -50.12 46.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.119 -2.238 . . . . 0.0 115.022 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -39.13 -64.12 0.48 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.419 2.688 . . . . 0.0 115.334 165.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -38.0 -49.77 1.29 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 169.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.97 -28.08 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 125.225 1.41 . . . . 0.0 110.641 -169.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.92 -36.49 41.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.237 1.415 . . . . 0.0 110.062 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -90.73 -46.27 8.35 Favored 'General case' 0 N--CA 1.428 -1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 113.371 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -136.46 73.33 1.45 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.315 -1.49 . . . . 0.0 111.544 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.87 -33.56 72.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.33 1.452 . . . . 0.0 110.951 172.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.49 -37.45 57.28 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.135 2.174 . . . . 0.0 115.017 175.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.94 -47.37 66.28 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.52 1.057 . . . . 0.0 114.037 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.95 -51.1 70.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.299 1.44 . . . . 0.0 111.304 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.27 -46.73 72.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.868 2.067 . . . . 0.0 114.571 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -60.76 7.3 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 125.37 1.462 . . . . 0.0 113.134 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -53.96 -43.29 69.76 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.033 1.742 . . . . 0.0 113.358 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -59.83 -44.68 93.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.044 0.938 . . . . 0.0 113.264 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.56 -39.0 92.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.846 -1.158 . . . . 0.0 113.916 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.56 -52.37 65.45 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.178 1.391 . . . . 0.0 112.651 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.07 -28.75 61.54 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.624 -1.297 . . . . 0.0 112.504 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.63 -67.74 0.35 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 166.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.15 -69.53 0.75 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.952 -1.092 . . . . 0.0 112.017 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t -146.5 114.12 6.4 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.93 -144.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.18 95.67 9.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.66 -1.9 . . . . 0.0 109.342 -172.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mptt . . . . . 0 N--CA 1.43 -1.437 0 C-N-CA 125.402 1.481 . . . . 0.0 107.437 173.091 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 5' ' ' ILE . 15.5 tptm -102.09 120.14 39.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -47.53 -8.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.695 3.22 . . . . 0.0 119.695 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' A' ' 3' ' ' LYS . 65.5 mt -94.04 -55.78 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 1 C-N-CA 133.201 4.6 . . . . 0.0 107.841 -174.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.31 -25.63 66.93 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.446 2.299 . . . . 0.0 108.271 170.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -61.3 -74.78 0.08 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.015 -2.928 . . . . 0.0 114.262 156.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -52.94 -36.31 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.297 0.1 OUTLIER -74.45 -37.68 63.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -41.5 -69.12 0.14 Allowed 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 115.854 -2.022 . . . . 0.0 114.086 147.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HB ' ' H ' ' A' ' 12' ' ' ILE . 14.1 mm -37.5 -71.42 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 123.315 2.78 . . . . 0.0 117.283 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' H ' ' HB ' ' A' ' 11' ' ' ILE . 80.2 mt -37.27 -43.46 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 130.81 3.644 . . . . 0.0 115.052 170.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 m -70.41 -57.2 5.07 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.116 -1.615 . . . . 0.0 111.935 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.86 -52.9 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 O-C-N 120.39 -1.443 . . . . 0.0 114.19 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.4 -49.15 13.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.685 3.217 . . . . 0.0 119.685 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -89.84 -25.56 20.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.28 -0.887 . . . . 0.0 109.232 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.18 -31.69 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 121.538 -0.726 . . . . 0.0 109.769 169.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -51.68 17.38 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.939 -1.725 . . . . 0.0 112.46 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.6 pt -70.68 -32.79 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -34.81 -67.39 0.14 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.635 2.374 . . . . 0.0 116.725 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -117.72 79.83 1.42 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.845 -1.784 . . . . 0.0 109.288 164.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -148.47 -95.64 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.419 -2.675 . . . . 0.0 105.846 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -126.25 140.51 52.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.631 -1.918 . . . . 0.0 111.304 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -84.44 -16.94 40.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.5 2.572 . . . . 0.0 109.884 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.88 -43.34 73.07 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.17 2.988 . . . . 0.0 111.923 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -19.12 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 172.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.303 1.0 OUTLIER -93.83 -35.7 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 120.605 1.548 . . . . 0.0 114.56 169.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -45.35 -46.63 13.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -101.46 143.68 31.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -81.42 -45.3 16.27 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 127.172 2.189 . . . . 0.0 112.707 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.64 -40.69 2.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.226 3.011 . . . . 0.0 115.29 175.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -79.69 -33.23 41.25 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.913 2.485 . . . . 0.0 111.212 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.28 -49.17 62.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 124.236 1.969 . . . . 0.0 108.841 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.49 -43.9 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.167 173.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.76 62.44 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.85 -14.78 25.72 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.513 -2.617 . . . . 0.0 115.435 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.55 -52.15 66.81 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 152.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -39.42 -41.81 1.0 Allowed 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 128.389 2.676 . . . . 0.0 117.569 160.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.79 -55.44 32.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 166.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -37.16 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.036 1.734 . . . . 0.0 113.602 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.62 24.71 7.65 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 121.282 -0.886 . . . . 0.0 112.721 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 m -59.33 125.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.951 -1.323 . . . . 0.0 113.956 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.1 p -126.01 160.02 31.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 122.969 1.366 . . . . 0.0 110.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -123.4 -138.67 0.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 166.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.34 112.25 5.09 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.555 -1.966 . . . . 0.0 111.827 178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.72 1.05 0.07 OUTLIER Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 120.664 3.025 . . . . 0.0 120.664 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -141.22 168.3 20.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.548 2.674 . . . . 0.0 108.646 -169.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -43.81 157.51 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.539 1.935 . . . . 0.0 115.921 156.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -81.27 146.65 30.32 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.67 2.486 . . . . 0.0 110.098 166.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.521 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.4 t-20 -114.16 175.36 5.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.861 1.264 . . . . 0.0 109.113 -164.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.44 -4.14 29.5 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 165.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -107.31 -7.16 16.81 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.998 1.726 . . . . 0.0 112.342 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.7 p -78.46 23.84 0.29 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.899 2.079 . . . . 0.0 115.628 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -74.15 -24.84 59.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.984 -2.322 . . . . 0.0 112.401 -165.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -58.01 -52.66 64.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.116 2.566 . . . . 0.0 114.294 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -48.17 -32.24 6.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.862 2.865 . . . . 0.0 118.519 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.44 -69.08 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.028 1.731 . . . . 0.0 114.689 159.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.288 3.3 p -99.91 -8.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -155.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.9 p -60.24 -53.2 60.55 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.438 -3.289 . . . . 0.0 113.136 165.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -51.64 -15.7 0.51 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -94.76 127.37 40.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 123.521 1.629 . . . . 0.0 112.122 -170.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -116.85 -171.53 2.04 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.736 1.731 . . . . 0.0 113.151 -166.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -51.97 -46.94 65.0 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.333 2.253 . . . . 0.0 112.586 168.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -49.49 -42.3 43.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 128.158 2.583 . . . . 0.0 115.798 172.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -56.24 15.29 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.438 1.495 . . . . 0.0 110.036 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -51.49 -53.91 32.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 128.166 3.841 . . . . 0.0 112.689 -158.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -89.06 -25.8 21.74 Favored 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 108.388 -4.005 . . . . 0.0 110.75 -169.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.73 -35.76 79.34 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.905 -1.747 . . . . 0.0 112.32 173.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.47 -52.29 16.44 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.874 2.069 . . . . 0.0 111.949 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.5 mm -79.1 -6.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 1 C-N-CA 134.445 5.098 . . . . 0.0 108.772 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.12 -59.98 2.56 Favored 'General case' 0 N--CA 1.429 -1.487 1 O-C-N 115.332 -4.605 . . . . 0.0 112.865 148.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -76.52 -46.91 24.55 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -162.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.02 111.53 16.7 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.224 -1.548 . . . . 0.0 111.025 -172.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.46 -51.85 4.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.456 -1.403 . . . . 0.0 111.396 -170.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.79 -22.54 53.54 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -159.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.06 -34.58 37.21 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.01 -1.681 . . . . 0.0 113.081 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -69.61 -41.95 75.02 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.235 -1.156 . . . . 0.0 110.811 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -48.85 -51.92 27.03 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.948 2.099 . . . . 0.0 113.227 169.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.91 -59.09 4.58 Favored Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 126.812 2.149 . . . . 0.0 117.047 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.38 -38.79 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 121.268 -1.136 . . . . 0.0 113.158 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.59 -50.54 72.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.377 -1.452 . . . . 0.0 113.761 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -70.77 -34.53 71.91 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.471 -1.393 . . . . 0.0 113.189 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.47 81.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.44 -1.412 . . . . 0.0 111.212 172.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.5 tp -61.78 -35.92 79.56 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.634 -2.541 . . . . 0.0 114.561 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.16 -43.66 97.67 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.51 -1.369 . . . . 0.0 113.42 173.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.28 -71.55 0.11 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.464 2.705 . . . . 0.0 117.38 163.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.394 23.7 p90 -79.41 -72.03 0.41 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 125.51 3.777 . . . . 0.0 113.148 -158.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -160.6 104.42 1.4 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 124.073 1.892 . . . . 0.0 108.492 -167.021 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -109.97 152.53 25.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.499 2.32 . . . . 0.0 112.018 -157.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? . . . . . 0 N--CA 1.43 -1.435 0 C-N-CA 126.723 2.009 . . . . 0.0 112.906 178.644 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 . . . . . 0 N--CA 1.431 -1.424 0 CA-C-O 122.853 1.311 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -104.37 148.45 26.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.787 1.635 . . . . 0.0 109.079 177.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -56.58 -31.37 64.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.033 1.333 . . . . 0.0 114.418 167.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -63.5 -50.14 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.104 2.561 . . . . 0.0 112.447 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -32.07 73.36 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 127.323 2.249 . . . . 0.0 112.772 171.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -57.22 -58.59 7.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.55 -3.219 . . . . 0.0 113.914 161.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.88 -43.55 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -62.59 -38.89 91.88 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.767 -1.833 . . . . 0.0 114.009 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -48.59 -59.53 3.44 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 159.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.18 -54.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 126.561 1.944 . . . . 0.0 113.595 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt -66.55 -39.79 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 -175.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -66.93 -51.92 49.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.348 -1.47 . . . . 0.0 112.512 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -51.55 -50.42 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.526 1.53 . . . . 0.0 114.585 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.62 10.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.61 1.564 . . . . 0.0 115.199 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.65 -44.6 69.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.756 2.422 . . . . 0.0 112.184 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.9 -34.27 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.355 -1.466 . . . . 0.0 111.938 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.97 -43.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.115 -1.615 . . . . 0.0 110.457 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 11.7 pt -75.29 -27.44 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 114.998 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -71.4 -63.78 1.05 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 122.948 2.613 . . . . 0.0 109.164 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -101.39 17.96 21.3 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -138.57 -75.09 0.38 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.222 -2.174 . . . . 0.0 113.786 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -147.96 104.77 3.6 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.474 1.488 . . . . 0.0 112.721 -161.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -84.98 -8.25 58.81 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.467 -2.021 . . . . 0.0 111.573 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.79 -4.02 5.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.954 2.502 . . . . 0.0 114.011 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -98.26 -19.52 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.903 -2.373 . . . . 0.0 110.244 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.79 -23.45 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 O-C-N 119.348 -2.095 . . . . 0.0 113.178 -171.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -46.91 -43.6 19.05 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 128.193 2.597 . . . . 0.0 117.383 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -120.69 100.49 7.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -67.99 -16.24 63.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -155.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.7 62.12 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.127 -2.233 . . . . 0.0 114.718 169.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -72.33 -35.31 68.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.526 -1.359 . . . . 0.0 112.79 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . 0.28 0.0 OUTLIER -68.86 -50.36 50.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.315 . . . . 0.0 110.987 179.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.0 mt -50.53 -48.49 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 129.154 2.982 . . . . 0.0 112.274 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.42 -31.31 53.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.833 -1.792 . . . . 0.0 108.047 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.489 -1.38 0 O-C-N 118.895 -2.378 . . . . 0.0 114.997 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.05 -31.2 64.27 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.939 -2.35 . . . . 0.0 111.141 166.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.23 -47.28 75.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.86 -37.8 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.082 -1.636 . . . . 0.0 112.107 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.2 41.69 5.15 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 124.144 0.878 . . . . 0.0 111.226 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.59 136.38 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.196 0.999 . . . . 0.0 108.796 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -114.22 173.76 6.28 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.429 -2.045 . . . . 0.0 109.613 -159.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.619 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 19.2 p-80 -157.03 -119.24 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 174.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.619 ' H ' ' CD2' ' A' ' 44' ' ' HIS 0.253 27.1 tt0 -84.81 86.69 7.32 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.899 -2.376 . . . . 0.0 107.938 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.85 5.12 8.39 Favored Glycine 0 N--CA 1.43 -1.718 0 N-CA-C 119.099 2.4 . . . . 0.0 119.099 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 62.5 mtm180 -140.38 173.86 11.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 126.823 2.049 . . . . 0.0 108.53 -162.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -94.85 175.57 6.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.106 2.23 . . . . 0.0 109.396 167.421 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 tp -93.75 124.12 37.53 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.129 -2.232 . . . . 0.0 113.711 -146.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -105.43 157.52 17.29 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.774 1.63 . . . . 0.0 112.798 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -95.6 -25.95 15.96 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 -163.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -78.26 -20.04 52.46 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.244 -2.16 . . . . 0.0 111.158 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -72.01 9.37 0.96 Allowed 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.58 -14.32 62.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.451 -2.03 . . . . 0.0 111.843 160.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -60.54 -46.63 89.48 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.27 -1.519 . . . . 0.0 111.399 164.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -56.74 -31.91 65.04 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.57 -59.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 CA-C-O 124.151 1.929 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.36 -11.39 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.293 2.237 . . . . 0.0 112.841 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -50.7 -37.11 39.44 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.163 -2.211 . . . . 0.0 116.519 153.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.51 -36.21 10.39 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.959 1.303 . . . . 0.0 112.461 -166.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.92 109.81 18.41 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.046 0.927 . . . . 0.0 111.125 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.61 -157.38 0.61 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.557 2.343 . . . . 0.0 107.146 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -65.25 -21.82 66.78 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.704 -2.498 . . . . 0.0 114.71 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -50.47 -39.1 47.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -46.84 70.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.243 2.217 . . . . 0.0 110.899 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -50.37 -57.43 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.956 1.702 . . . . 0.0 112.639 173.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -56.72 -47.77 79.24 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.1 m -67.68 -43.61 79.77 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 129.849 3.26 . . . . 0.0 112.7 -168.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.28 -24.28 20.95 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.544 1.538 . . . . 0.0 109.149 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.65 -52.37 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 122.213 2.279 . . . . 0.0 111.156 166.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -40.47 -57.55 1.78 Allowed 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.062 2.145 . . . . 0.0 115.976 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.71 -44.97 9.14 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -133.4 65.41 1.59 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 119.512 1.051 . . . . 0.0 111.808 -168.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.27 -34.94 79.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.28 -1.512 . . . . 0.0 111.955 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -49.51 -36.52 23.43 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.752 2.821 . . . . 0.0 115.019 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.87 -53.87 34.7 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 125.004 1.288 . . . . 0.0 113.278 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -62.41 -45.99 90.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.175 1.39 . . . . 0.0 112.497 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.93 -48.45 80.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.01 1.724 . . . . 0.0 114.663 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.2 68.35 Favored Glycine 0 N--CA 1.429 -1.791 0 O-C-N 120.011 -1.681 . . . . 0.0 114.207 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.418 3.5 p -60.62 -41.05 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 114.971 -0.614 . . . . 0.0 112.243 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.09 -46.88 85.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.982 1.313 . . . . 0.0 113.857 170.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 ttm180 -59.66 -39.83 85.7 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.677 -1.889 . . . . 0.0 114.264 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.3 -50.45 63.6 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.892 1.677 . . . . 0.0 110.718 173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.36 -43.08 74.73 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.161 2.185 . . . . 0.0 114.836 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.46 -48.46 80.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.389 1.475 . . . . 0.0 113.545 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -70.6 -62.7 1.29 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.863 1.665 . . . . 0.0 114.728 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -78.03 -69.92 0.52 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.138 1.375 . . . . 0.0 112.712 -165.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.97 136.23 3.48 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 117.884 -1.526 . . . . 0.0 110.262 -149.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -85.08 134.06 34.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.738 1.615 . . . . 0.0 111.854 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 pttm . . . . . 0 N--CA 1.43 -1.437 0 O-C-N 121.162 -0.961 . . . . 0.0 109.316 -179.402 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 . . . . . 0 N--CA 1.43 -1.442 0 CA-C-O 123.594 1.664 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -104.71 150.38 24.78 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.043 1.737 . . . . 0.0 106.76 158.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.51 -6.94 33.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.986 -1.697 . . . . 0.0 114.636 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.46 -64.14 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 127.86 2.464 . . . . 0.0 114.026 155.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -39.71 -57.78 1.46 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 130.007 3.323 . . . . 0.0 113.679 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 m -54.79 -65.63 0.54 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.481 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.75 -40.34 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.993 -1.692 . . . . 0.0 111.185 -167.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.416 1.086 . . . . 0.0 113.479 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.54 -43.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 168.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.92 -48.92 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.019 1.327 . . . . 0.0 111.204 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.9 mt -49.18 -54.19 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 127.746 2.418 . . . . 0.0 111.98 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 m -51.23 -70.01 0.1 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.909 2.084 . . . . 0.0 115.379 170.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.29 -29.08 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -54.34 32.75 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.315 -1.491 . . . . 0.0 113.651 165.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -54.47 -50.23 68.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.38 -28.6 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.554 1.141 . . . . 0.0 112.534 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -59.88 3.63 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.743 -1.848 . . . . 0.0 113.928 164.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -76.9 -32.3 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -167.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -44.58 -65.33 0.53 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -116.93 72.77 0.84 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.652 -1.28 . . . . 0.0 111.682 173.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -170.26 -98.54 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -121.59 130.58 53.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.551 1.941 . . . . 0.0 111.025 -176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -90.23 -14.91 32.42 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.158 1.783 . . . . 0.0 110.756 164.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.54 -25.96 67.67 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 113.074 -163.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -49.48 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 128.077 2.551 . . . . 0.0 111.161 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -61.66 -33.84 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.525 -1.359 . . . . 0.0 114.558 166.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.91 -49.45 77.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.474 1.488 . . . . 0.0 114.408 165.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -98.14 83.46 3.1 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.643 -1.911 . . . . 0.0 107.748 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -28.29 -44.21 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 131.417 3.887 . . . . 0.0 119.237 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.04 62.54 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.827 -1.171 . . . . 0.0 113.003 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -87.72 -17.53 31.52 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.704 1.202 . . . . 0.0 109.813 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.72 -67.49 0.26 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.477 -2.64 . . . . 0.0 114.13 156.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -34.52 -53.01 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 126.17 2.89 . . . . 0.0 115.578 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.252 . . -81.99 -11.52 58.8 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 111.146 -2.752 . . . . 0.0 116.666 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.17 -48.54 73.1 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.048 -2.282 . . . . 0.0 110.756 156.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -53.94 -25.11 18.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -68.14 -46.2 71.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.539 1.936 . . . . 0.0 113.613 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -54.2 -58.21 8.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.197 2.199 . . . . 0.0 114.33 157.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.4 -26.62 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 1 O-C-N 116.159 -4.088 . . . . 0.0 119.061 -170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.06 1.95 28.33 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.891 -2.381 . . . . 0.0 115.791 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.18 117.55 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 C-N-CA 125.69 1.596 . . . . 0.0 113.135 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -124.43 141.83 51.78 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.644 -1.285 . . . . 0.0 110.9 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -115.62 -137.53 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.536 -1.353 . . . . 0.0 110.131 171.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -45.09 77.64 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 148.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.66 -26.23 2.76 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 127.475 2.464 . . . . 0.0 115.82 162.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -125.72 172.43 9.81 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.593 1.557 . . . . 0.0 107.835 -167.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -74.81 165.41 25.29 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.718 1.607 . . . . 0.0 110.482 172.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.83 127.4 34.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.74 1.216 . . . . 0.0 112.205 -161.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.04 -175.17 4.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.705 -1.872 . . . . 0.0 111.184 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.82 -46.42 8.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.319 -1.488 . . . . 0.0 109.895 173.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.12 -7.41 35.88 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.079 2.252 . . . . 0.0 117.079 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -76.6 -4.74 44.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.011 -1.681 . . . . 0.0 115.285 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . 0.257 1.4 p90 -21.67 -53.09 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 119.239 3.052 . . . . 0.0 119.239 154.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -53.9 -41.73 67.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.833 1.778 . . . . 0.0 115.415 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -69.69 -51.97 29.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.405 1.082 . . . . 0.0 111.681 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.2 -39.96 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.784 0.802 . . . . 0.0 110.125 -168.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 m -74.71 -19.02 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.968 2.107 . . . . 0.0 113.784 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.9 m -65.84 -51.88 55.21 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.506 -1.371 . . . . 0.0 111.597 164.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.27 -45.22 73.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.2 mt -52.17 95.82 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 118.987 -2.321 . . . . 0.0 117.182 153.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -168.7 1.45 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.642 2.777 . . . . 0.0 108.593 159.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -74.38 -32.11 62.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.104 -2.247 . . . . 0.0 113.927 -151.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.4 -54.88 6.69 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.216 2.606 . . . . 0.0 112.854 165.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.35 -46.05 61.42 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.86 2.464 . . . . 0.0 112.597 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -56.46 -53.44 57.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.879 1.672 . . . . 0.0 111.993 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -66.74 -26.91 67.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.072 -1.017 . . . . 0.0 112.102 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.5 m -72.63 -37.86 67.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.448 1.499 . . . . 0.0 112.183 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -57.2 6.47 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 126.736 2.014 . . . . 0.0 114.053 169.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.28 -48.15 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 130.725 3.61 . . . . 0.0 113.997 165.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.25 -50.17 75.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.173 -2.204 . . . . 0.0 113.119 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -85.18 -46.32 11.19 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -136.01 62.64 1.61 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.37 -1.456 . . . . 0.0 113.136 -166.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -67.01 -27.78 67.71 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.348 -1.47 . . . . 0.0 114.427 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.66 -40.63 79.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.172 -1.58 . . . . 0.0 113.064 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.03 12.43 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 120.292 -1.505 . . . . 0.0 112.662 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -57.26 -56.67 18.83 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.91 1.684 . . . . 0.0 114.456 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -75.94 -20.39 57.99 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.134 -1.604 . . . . 0.0 112.372 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.45 -46.21 56.84 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.701 -1.249 . . . . 0.0 112.413 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 29.1 m -67.43 -39.0 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.209 175.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -58.03 -52.48 65.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.241 1.816 . . . . 0.0 113.64 174.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -63.37 -41.64 98.82 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 119.85 -1.781 . . . . 0.0 113.115 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -46.06 87.72 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.752 -1.218 . . . . 0.0 111.232 171.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.14 -40.9 47.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.23 -2.169 . . . . 0.0 115.566 173.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.46 -21.44 60.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.277 -1.514 . . . . 0.0 110.163 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 tpt -91.18 -40.85 11.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.329 1.852 . . . . 0.0 115.29 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.308 14.8 p90 -94.21 -76.11 0.49 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 121.715 2.052 . . . . 0.0 109.396 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t -164.33 125.19 2.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 123.263 2.756 . . . . 0.0 109.443 -176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -86.7 84.23 7.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 124.143 1.925 . . . . 0.0 109.195 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.43 0 C-N-CA 129.337 3.055 . . . . 0.0 110.428 146.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 6' ' ' ASP . 10.2 tttt -165.83 -165.69 0.85 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 155.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -90.17 -27.55 19.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.938 -1.101 . . . . 0.0 108.35 159.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.9 -55.5 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.616 1.567 . . . . 0.0 110.418 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 2.5 t70 -40.44 -59.97 1.21 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 160.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.0 m -56.18 -36.69 68.64 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -88.18 -36.04 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 119.753 -1.842 . . . . 0.0 109.554 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -75.67 -9.15 58.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.174 -2.204 . . . . 0.0 113.073 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.57 -57.51 8.93 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 121.959 2.163 . . . . 0.0 108.559 162.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.59 -49.32 6.42 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 CA-C-O 124.065 1.888 . . . . 0.0 114.862 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.38 -52.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.432 1.893 . . . . 0.0 110.806 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -61.02 -50.82 71.81 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.1 -1.625 . . . . 0.0 111.985 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.48 -9.92 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 119.805 -1.809 . . . . 0.0 112.577 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.09 -36.08 35.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.845 -1.159 . . . . 0.0 110.744 168.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -73.08 -46.57 50.76 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.463 1.905 . . . . 0.0 110.03 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.44 -36.16 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.176 1.391 . . . . 0.0 111.907 172.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.58 -62.57 1.72 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.627 -1.295 . . . . 0.0 114.269 170.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.265 12.0 pt -77.37 -36.94 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -162.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -49.42 -62.58 1.47 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.879 1.799 . . . . 0.0 114.309 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -113.03 72.96 0.79 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.386 3.474 . . . . 0.0 107.34 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -171.64 -94.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.914 1.286 . . . . 0.0 108.642 150.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt-85 -129.18 152.55 48.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.542 -1.349 . . . . 0.0 112.758 -168.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.17 -21.82 24.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.908 1.814 . . . . 0.0 109.632 155.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -46.65 -21.37 0.19 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.978 2.955 . . . . 0.0 118.978 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.39 -51.37 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.683 -2.511 . . . . 0.0 112.853 166.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.349 16.2 m -67.64 -5.03 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 129.841 3.256 . . . . 0.0 115.777 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -72.56 -13.61 61.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.269 1.952 . . . . 0.0 116.269 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -144.27 150.51 38.01 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.0 -37.37 14.37 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.26 -2.15 . . . . 0.0 108.987 -150.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.94 33.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 159.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -57.74 -54.21 49.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.999 2.52 . . . . 0.0 114.978 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.26 -58.12 1.24 Allowed 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.254 2.222 . . . . 0.0 115.477 166.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.54 -40.97 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.9 3.28 . . . . 0.0 110.868 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.76 70.35 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 121.725 -0.61 . . . . 0.0 111.225 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -74.54 -35.43 63.11 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.88 -1.762 . . . . 0.0 110.799 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.53 -33.62 71.61 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.533 -2.605 . . . . 0.0 114.753 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.2 -53.87 47.6 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 126.958 2.103 . . . . 0.0 113.934 162.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -35.08 -55.7 0.6 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 162.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -50.82 -40.17 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.63 29.13 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.22 131.15 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 121.46 2.63 . . . . 0.0 113.029 165.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -148.06 165.41 30.89 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.107 1.763 . . . . 0.0 108.297 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.335 0.6 OUTLIER -123.75 -143.4 0.32 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 121.9 -0.5 . . . . 0.0 111.17 171.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.24 79.99 0.99 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.838 -1.789 . . . . 0.0 114.03 -173.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.88 -16.6 60.95 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.093 -1.629 . . . . 0.0 113.777 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -140.12 160.34 40.16 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.84 1.32 . . . . 0.0 108.205 -174.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.37 162.31 10.23 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.214 -2.179 . . . . 0.0 114.945 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 tp -34.44 122.67 0.51 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 118.764 2.876 . . . . 0.0 118.764 146.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -111.5 -171.94 1.94 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.798 -1.926 . . . . 0.0 105.798 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -78.07 -49.57 13.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 123.91 1.814 . . . . 0.0 108.371 167.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.32 -10.36 50.11 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.327 3.051 . . . . 0.0 116.179 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.8 p -71.46 3.57 3.73 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.34 1.856 . . . . 0.0 115.099 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.53 -49.41 54.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 128.166 2.587 . . . . 0.0 110.829 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -57.08 1.8 Allowed 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.494 2.318 . . . . 0.0 115.531 167.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 57' ' ' ILE . 16.6 tptt -44.13 -72.49 0.06 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.157 2.183 . . . . 0.0 115.505 168.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.419 ' H ' ' HB3' ' A' ' 56' ' ' LYS . 33.0 mt -46.92 -53.56 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.257 2.223 . . . . 0.0 112.934 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.26 -21.31 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.985 -1.697 . . . . 0.0 113.628 -168.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.1 p -75.27 -53.41 8.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.276 1.431 . . . . 0.0 111.286 172.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -44.05 -33.28 1.41 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.558 3.169 . . . . 0.0 119.558 166.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.43 120.72 22.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 120.214 1.37 . . . . 0.0 107.893 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.62 -157.24 0.11 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.372 -1.455 . . . . 0.0 109.568 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -83.71 -34.98 24.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.828 -1.795 . . . . 0.0 110.325 168.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -59.14 -51.4 70.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 122.829 1.3 . . . . 0.0 111.946 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.35 -47.87 65.83 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.257 3.023 . . . . 0.0 112.349 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -49.06 -50.07 38.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 124.14 1.924 . . . . 0.0 112.995 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -52.87 8.15 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.186 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 m -38.71 -55.12 1.51 Allowed 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.332 1.878 . . . . 0.0 113.847 168.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.63 -72.36 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.63 -32.69 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-O 124.12 1.914 . . . . 0.0 106.572 -152.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.7 -39.08 27.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 130.351 3.46 . . . . 0.0 111.62 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.23 -46.0 68.45 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.534 -1.354 . . . . 0.0 111.574 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -136.41 99.9 4.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.15 0.976 . . . . 0.0 109.1 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -85.42 -37.79 19.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.434 1.494 . . . . 0.0 114.0 -173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.18 -47.74 45.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.414 2.286 . . . . 0.0 116.576 -167.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.57 -33.44 58.3 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.332 0.968 . . . . 0.0 113.851 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.53 -49.34 60.31 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 124.714 1.205 . . . . 0.0 111.332 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.6 -43.99 97.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.184 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.2 -41.95 62.06 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 126.181 1.848 . . . . 0.0 117.658 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.545 -1.562 . . . . 0.0 111.116 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.24 -42.11 85.64 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.666 -1.271 . . . . 0.0 112.454 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -65.44 -48.55 72.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -56.89 -49.55 75.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 124.598 1.159 . . . . 0.0 112.149 177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.69 -31.32 70.59 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.687 1.595 . . . . 0.0 113.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.42 -20.87 33.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.56 -1.338 . . . . 0.0 112.617 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.5 mtm -95.13 -39.89 9.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 122.276 2.307 . . . . 0.0 112.69 168.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.98 -75.67 0.37 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.568 -1.332 . . . . 0.0 111.272 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -166.09 128.19 1.92 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 116.926 -1.91 . . . . 0.0 109.816 -160.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -76.08 143.89 41.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.942 -1.724 . . . . 0.0 110.027 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 N--CA 1.431 -1.388 0 O-C-N 120.723 -1.235 . . . . 0.0 112.642 -157.826 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 m120 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -99.79 144.03 29.33 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 155.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.18 -27.59 0.42 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 168.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.44 -43.83 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 127.077 2.151 . . . . 0.0 112.572 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.2 -62.73 0.96 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.407 1.883 . . . . 0.0 114.438 158.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 120.579 1.536 . . . . 0.0 114.577 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.4 t -87.77 -40.24 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.591 -1.943 . . . . 0.0 110.977 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -69.95 -23.56 63.21 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.566 -1.959 . . . . 0.0 112.571 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.92 -52.21 60.9 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.429 1.891 . . . . 0.0 113.2 166.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -45.24 -51.32 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 168.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.29 -59.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.432 3.093 . . . . 0.0 111.596 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -56.0 -52.56 63.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.763 1.625 . . . . 0.0 113.308 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -70.25 -46.39 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.817 -1.177 . . . . 0.0 111.192 -173.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.81 -53.7 5.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 171.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -72.66 -37.22 68.0 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.175 0.512 . . . . 0.0 109.647 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.51 -44.56 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.599 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -46.58 12.96 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 121.85 2.114 . . . . 0.0 110.62 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.325 6.1 pt -73.31 -38.1 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.801 -1.812 . . . . 0.0 115.579 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -51.83 67.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 115.279 -2.296 . . . . 0.0 115.568 -173.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -115.48 19.22 15.57 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 122.41 2.368 . . . . 0.0 116.214 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 t -126.77 -90.38 0.53 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.325 -2.109 . . . . 0.0 111.846 158.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -116.88 119.76 36.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.696 -1.877 . . . . 0.0 113.35 -153.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.22 -49.38 7.03 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 123.948 1.832 . . . . 0.0 112.931 -170.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -25.3 -46.06 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.424 4.69 . . . . 0.0 118.489 172.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.42 -40.64 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.638 -1.914 . . . . 0.0 115.696 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.385 4.6 p -68.46 -32.88 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.618 -1.301 . . . . 0.0 112.851 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -44.06 -36.13 2.41 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 170.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -138.09 107.94 6.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.88 2.072 . . . . 0.0 108.613 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -88.4 -21.41 24.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.46 -2.65 . . . . 0.0 112.487 -136.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -7.14 3.22 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 117.442 -3.286 . . . . 0.0 117.808 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.9 -22.42 20.91 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.268 -2.77 . . . . 0.0 110.785 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.56 -50.5 25.13 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.802 -1.999 . . . . 0.0 109.067 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -55.34 -55.55 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.139 1.376 . . . . 0.0 108.613 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.73 65.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.362 -1.462 . . . . 0.0 114.403 -165.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -82.29 -16.21 50.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.282 -2.761 . . . . 0.0 109.777 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.31 0.5 OUTLIER -82.03 -14.91 55.23 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.925 -1.109 . . . . 0.0 113.691 170.651 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.95 -19.21 23.52 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.323 -2.11 . . . . 0.0 112.273 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -40.26 -41.02 1.25 Allowed 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 155.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 127.481 2.313 . . . . 0.0 116.245 168.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.81 10.03 15.23 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.959 -1.088 . . . . 0.0 112.483 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.3 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 127.095 2.158 . . . . 0.0 112.406 160.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -120.42 151.46 39.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 164.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.268 61.4 m80 -133.71 -134.72 0.17 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.866 174.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.47 78.2 0.56 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -157.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.62 -21.63 43.57 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 119.271 -2.143 . . . . 0.0 111.45 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -142.38 173.58 11.4 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 123.756 0.822 . . . . 0.0 110.922 -153.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -63.91 178.93 0.57 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.825 -1.797 . . . . 0.0 110.929 151.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.95 157.7 29.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.544 -3.223 . . . . 0.0 111.293 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -112.07 177.25 4.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -76.86 -48.84 17.19 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.57 -23.96 53.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.99 3.716 . . . . 0.0 115.927 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -63.85 -7.94 9.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.003 -1.686 . . . . 0.0 114.202 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -71.49 -14.94 62.28 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.346 1.858 . . . . 0.0 113.281 -173.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER -58.46 -57.85 11.13 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 165.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -83.15 -7.82 59.58 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.321 2.248 . . . . 0.0 114.252 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -78.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 136.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.4 -38.05 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 116.936 -3.603 . . . . 0.0 114.906 -153.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -51.58 62.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.039 2.136 . . . . 0.0 113.494 -169.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -40.97 -31.82 0.2 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 169.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.28 150.37 38.55 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.466 1.507 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -123.5 -156.73 0.72 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.27 -1.518 . . . . 0.0 107.982 -156.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -81.86 -31.3 31.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.264 -1.523 . . . . 0.0 111.386 168.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -44.16 -53.54 6.4 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.705 2.002 . . . . 0.0 113.019 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -50.14 -61.28 2.25 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.352 2.661 . . . . 0.0 110.646 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -36.57 -65.66 0.27 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.718 2.807 . . . . 0.0 115.351 -175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -85.47 -30.6 23.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.372 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -52.86 -52.25 58.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.452 1.933 . . . . 0.0 112.361 173.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 tp -54.24 -60.5 3.25 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.535 2.334 . . . . 0.0 112.295 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.2 -35.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 124.924 2.297 . . . . 0.0 105.917 -157.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.87 -47.09 82.06 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 131.283 3.833 . . . . 0.0 111.836 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -74.03 -45.39 49.94 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.83 -1.168 . . . . 0.0 112.1 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -135.79 100.9 4.59 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.323 -0.861 . . . . 0.0 112.157 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.17 -38.65 30.92 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -76.53 -42.81 41.8 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -154.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.59 90.35 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 120.561 -1.337 . . . . 0.0 114.465 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.02 -51.85 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.85 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.72 -32.89 74.48 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.29 -1.506 . . . . 0.0 113.037 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.22 82.7 Favored Glycine 0 N--CA 1.43 -1.723 0 C-N-CA 125.299 1.428 . . . . 0.0 115.727 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m -83.73 -36.58 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.975 -1.309 . . . . 0.0 110.083 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.51 -42.72 82.37 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.659 1.183 . . . . 0.0 113.139 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -57.83 -46.21 85.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.664 -1.273 . . . . 0.0 112.67 174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -40.6 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.865 -1.147 . . . . 0.0 112.537 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 tp -49.45 -47.53 48.21 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 121.23 1.832 . . . . 0.0 115.255 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.51 -35.59 80.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 123.937 0.895 . . . . 0.0 112.245 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.6 ttm -73.63 -45.44 52.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.387 22.8 p90 -83.18 -72.91 0.43 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 120.511 -1.368 . . . . 0.0 113.347 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.83 132.34 1.79 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 121.745 2.066 . . . . 0.0 111.432 -169.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.39 141.43 28.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.535 -1.353 . . . . 0.0 109.142 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 tptp . . . . . 0 N--CA 1.43 -1.463 0 O-C-N 119.775 -1.828 . . . . 0.0 109.799 -172.382 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 122.06 0.933 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -113.85 150.05 34.15 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.624 -1.922 . . . . 0.0 106.812 157.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.98 -37.69 77.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.641 1.176 . . . . 0.0 112.355 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.27 -53.21 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 126.681 1.992 . . . . 0.0 111.154 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -36.85 -54.64 0.92 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 128.863 2.865 . . . . 0.0 116.896 159.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 m -63.45 -51.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 111.664 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.45 ' HA ' HG12 ' A' ' 11' ' ' ILE . 59.1 t -58.3 -46.26 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -37.68 88.18 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.748 -2.47 . . . . 0.0 112.332 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -58.93 -39.52 81.86 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 126.969 2.108 . . . . 0.0 114.938 169.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 8' ' ' VAL . 19.6 mm -54.34 -50.89 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.47 -52.63 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 125.647 1.579 . . . . 0.0 111.029 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -52.5 -61.69 2.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.521 2.328 . . . . 0.0 113.704 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -70.46 -36.68 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 123.787 0.835 . . . . 0.0 111.454 -166.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.84 29.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -59.12 -45.17 91.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.607 1.563 . . . . 0.0 111.703 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.7 pt -69.27 -20.12 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -82.48 -46.44 13.45 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 121.255 1.843 . . . . 0.0 111.31 168.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.441 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 29.6 pt -71.61 -33.04 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -174.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -38.78 -91.31 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 127.288 2.235 . . . . 0.0 116.685 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.77 18.63 17.72 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.558 2.89 . . . . 0.0 113.988 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -120.72 -81.56 0.64 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.753 -1.217 . . . . 0.0 114.01 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -143.87 111.1 5.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.735 -1.228 . . . . 0.0 109.649 -164.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -87.37 -25.81 23.65 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.335 1.454 . . . . 0.0 112.581 -174.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -38.71 -37.37 0.33 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.102 2.961 . . . . 0.0 116.716 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -45.83 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 126.671 1.988 . . . . 0.0 112.754 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.21 -30.63 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.105 -1.622 . . . . 0.0 114.533 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.31 -37.65 75.51 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.148 1.779 . . . . 0.0 115.371 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -109.15 86.25 2.25 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -41.63 -44.23 3.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.691 3.219 . . . . 0.0 119.691 -173.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -19.74 65.97 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.163 -1.586 . . . . 0.0 114.274 -177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -81.32 -40.29 23.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.13 1.772 . . . . 0.0 110.617 173.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.53 -56.08 26.77 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.743 1.217 . . . . 0.0 110.688 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.76 -56.11 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 119.774 -1.829 . . . . 0.0 111.184 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.95 -8.36 43.79 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -83.56 -30.95 26.63 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.922 -1.111 . . . . 0.0 110.504 165.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.26 -18.82 62.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.288 -2.758 . . . . 0.0 114.166 162.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -72.9 -46.36 53.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 118.048 -2.907 . . . . 0.0 111.016 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -37.46 -50.87 1.11 Allowed 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 164.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.97 -37.19 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.059 1.744 . . . . 0.0 112.843 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.49 43.54 0.89 Allowed Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 124.159 0.885 . . . . 0.0 112.001 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 133.93 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-O 124.547 2.118 . . . . 0.0 113.856 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -143.86 170.17 16.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.458 2.703 . . . . 0.0 110.217 -152.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -145.94 -128.93 0.07 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.225 1.01 . . . . 0.0 110.601 179.532 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -75.68 77.15 2.66 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.951 1.301 . . . . 0.0 112.416 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.81 -24.02 6.26 Favored Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 125.118 1.342 . . . . 0.0 114.774 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -117.25 162.24 18.2 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.527 -1.572 . . . . 0.0 110.43 -166.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 69.6 mmtt -55.11 147.26 16.45 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.132 2.173 . . . . 0.0 111.528 164.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 tp -74.59 123.35 24.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 118.858 -2.401 . . . . 0.0 112.081 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.54 149.13 28.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.748 1.219 . . . . 0.0 113.009 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.19 -33.16 72.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.619 -1.301 . . . . 0.0 113.338 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -67.38 -16.12 64.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -82.59 22.94 0.83 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.01 -38.36 70.38 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -50.58 72.92 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.956 -1.715 . . . . 0.0 113.63 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -24.7 39.14 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.2 mt -87.07 -69.22 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 124.676 1.191 . . . . 0.0 112.149 162.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.14 -37.6 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 117.149 -3.47 . . . . 0.0 114.823 -151.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.254 6.3 p -81.04 -1.15 42.88 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -88.2 -15.19 36.64 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.023 -1.673 . . . . 0.0 111.782 167.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.66 124.09 31.81 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.186 1.394 . . . . 0.0 111.125 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -90.67 -177.29 4.97 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.812 -1.805 . . . . 0.0 109.673 178.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' H ' HG21 ' A' ' 62' ' ' THR . 86.8 mt-30 -61.75 -39.36 91.33 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.631 -1.918 . . . . 0.0 112.976 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.45 -60.82 1.02 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 128.862 2.865 . . . . 0.0 114.214 163.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.57 -45.88 77.83 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.967 2.107 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -52.45 50.72 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 127.302 2.241 . . . . 0.0 112.289 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -80.99 -33.0 34.05 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.86 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -52.38 -45.96 66.01 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 120.062 1.301 . . . . 0.0 112.973 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.39 -53.5 57.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.175 1.79 . . . . 0.0 112.305 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.92 -52.48 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 127.195 2.198 . . . . 0.0 113.278 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -56.03 16.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.025 2.13 . . . . 0.0 114.294 175.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -35.84 67.56 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.876 -1.14 . . . . 0.0 113.753 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -122.76 70.54 1.01 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 122.463 1.125 . . . . 0.0 111.382 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.77 -23.78 58.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.663 -1.898 . . . . 0.0 112.335 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.36 -40.25 77.7 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.213 1.805 . . . . 0.0 113.879 170.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.01 97.67 Favored Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 124.453 1.025 . . . . 0.0 114.237 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.18 -52.92 63.53 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.631 1.572 . . . . 0.0 111.867 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -43.8 -65.97 0.44 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.207 2.203 . . . . 0.0 114.911 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.2 -57.69 15.84 Favored Glycine 0 N--CA 1.43 -1.744 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.89 -22.0 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -62.23 -54.66 37.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.317 -1.489 . . . . 0.0 111.54 169.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -67.33 -38.1 84.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.889 -1.132 . . . . 0.0 113.594 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.3 t80 -61.88 -47.03 86.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.802 -1.186 . . . . 0.0 112.451 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.94 -42.19 98.83 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.365 -1.459 . . . . 0.0 113.537 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -47.81 84.09 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.411 -0.806 . . . . 0.0 112.428 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.7 mmm -80.67 -41.1 24.32 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -97.77 -74.18 0.59 Allowed 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.674 -1.266 . . . . 0.0 113.507 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 t -168.19 167.4 12.31 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.471 -1.393 . . . . 0.0 110.234 -153.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -99.52 132.37 44.9 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.933 -1.104 . . . . 0.0 110.799 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt . . . . . 0 N--CA 1.43 -1.447 0 O-C-N 120.353 -1.467 . . . . 0.0 110.072 174.005 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 N--CA 1.429 -1.479 0 CA-C-O 123.786 1.755 . . . . 0.0 107.141 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -151.4 -86.03 0.07 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 131.449 3.899 . . . . 0.0 108.825 -163.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -86.59 -36.48 18.85 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.185 -1.572 . . . . 0.0 111.135 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.267 0.0 OUTLIER -68.27 -27.93 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 119.92 1.236 . . . . 0.0 113.879 176.119 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -45.93 -63.4 0.98 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 153.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -51.83 -56.86 11.45 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.983 1.713 . . . . 0.0 114.253 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -48.19 -57.93 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.404 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 167.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.39 -34.28 73.68 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.489 -2.007 . . . . 0.0 113.524 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.42 -44.03 88.93 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 170.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.7 -32.04 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 125.314 1.446 . . . . 0.0 111.517 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -36.76 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.532 -1.355 . . . . 0.0 109.565 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -65.12 -57.7 7.91 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.765 1.626 . . . . 0.0 111.31 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.47 -29.86 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.83 51.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.343 -1.473 . . . . 0.0 113.76 172.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -70.88 -40.44 72.25 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.743 -1.848 . . . . 0.0 112.236 170.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.01 -53.91 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.088 2.155 . . . . 0.0 112.378 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -36.78 -64.65 0.33 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.053 2.541 . . . . 0.0 116.363 164.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.0 pt -77.53 -31.55 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -173.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -49.58 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.179 1.391 . . . . 0.0 113.98 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -112.87 18.39 18.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -124.46 -83.3 0.65 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.112 -1.618 . . . . 0.0 111.813 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -142.74 119.98 11.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.566 1.174 . . . . 0.0 113.376 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.9 -19.95 28.11 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.544 1.537 . . . . 0.0 109.985 171.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -59.64 -29.92 68.37 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-O 125.218 2.437 . . . . 0.0 113.272 -170.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.15 -30.74 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 128.465 2.706 . . . . 0.0 109.285 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -74.17 -25.99 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.189 1.796 . . . . 0.0 112.341 176.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.33 1.38 11.7 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.974 -1.704 . . . . 0.0 113.868 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 27' ' ' VAL . 10.4 t-20 -139.01 97.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.804 1.242 . . . . 0.0 107.893 169.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -15.92 63.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.657 -1.902 . . . . 0.0 115.513 -167.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.49 -40.86 49.05 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.248 -1.533 . . . . 0.0 112.319 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.32 -52.68 57.27 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.387 -1.446 . . . . 0.0 111.985 169.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -37.91 -47.76 1.09 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -80.55 -36.56 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.032 1.733 . . . . 0.0 109.555 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.09 74.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 111.641 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.33 -46.93 82.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.056 -1.652 . . . . 0.0 113.244 166.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.316 0.8 OUTLIER -71.94 -10.05 59.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 177.717 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.29 -35.54 58.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.763 -1.836 . . . . 0.0 111.516 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.62 -42.96 3.61 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.235 2.214 . . . . 0.0 116.372 161.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -50.2 -33.56 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 119.458 -2.026 . . . . 0.0 116.41 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.41 34.09 2.17 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.476 -1.39 . . . . 0.0 112.81 -168.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.92 103.62 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.898 -1.354 . . . . 0.0 111.462 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -124.41 138.67 54.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.751 1.62 . . . . 0.0 108.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' HE1' ' O ' ' A' ' 48' ' ' LYS . 46.3 p-80 -108.88 -131.43 0.31 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 116.744 -1.598 . . . . 0.0 107.173 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.0 78.9 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.545 1.975 . . . . 0.0 115.395 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.39 -28.13 1.02 Allowed Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.111 -2.243 . . . . 0.0 117.091 -169.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -115.99 170.88 8.15 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.037 1.335 . . . . 0.0 112.972 -158.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 65.4 mmtt -77.93 164.13 25.39 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 129.627 3.171 . . . . 0.0 110.021 -177.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 tp -93.94 128.43 40.24 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.259 -2.15 . . . . 0.0 112.044 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -87.6 160.13 18.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.197 1.799 . . . . 0.0 112.746 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -92.92 -4.06 53.45 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.728 -1.233 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -107.67 -7.47 16.41 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.258 1.423 . . . . 0.0 113.715 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.9 p -89.67 15.73 9.08 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -44.75 -52.51 8.31 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.782 2.033 . . . . 0.0 114.644 163.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.49 -42.62 4.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -95.15 -15.81 23.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.711 1.204 . . . . 0.0 111.708 -176.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.86 -52.54 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 119.56 -1.963 . . . . 0.0 109.345 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.07 -37.77 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.78 -1.2 . . . . 0.0 113.289 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -50.55 -27.94 7.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 171.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.37 -16.25 16.28 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.786 -2.446 . . . . 0.0 114.358 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.28 100.64 0.48 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.531 1.932 . . . . 0.0 112.025 163.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.5 p -84.11 -166.64 1.48 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -70.63 -40.04 73.36 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 117.817 -3.052 . . . . 0.0 115.723 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -34.85 -58.04 0.52 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 118.092 2.627 . . . . 0.0 118.092 155.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -48.31 76.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.426 2.29 . . . . 0.0 111.363 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -49.49 -56.37 10.02 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.832 1.653 . . . . 0.0 112.464 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -58.72 -45.71 88.99 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.344 -1.472 . . . . 0.0 113.614 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.5 m -53.87 -45.49 71.02 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.282 3.033 . . . . 0.0 115.71 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.08 -65.19 0.64 Allowed 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.828 1.775 . . . . 0.0 114.792 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mm -47.75 -65.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 1 C-N-CA 133.557 4.743 . . . . 0.0 112.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.32 -50.65 72.09 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.862 2.465 . . . . 0.0 116.87 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.99 -45.88 47.22 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.218 0.917 . . . . 0.0 112.464 -172.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.05 79.24 1.82 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.233 1.016 . . . . 0.0 111.309 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.015 1.726 . . . . 0.0 114.086 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.39 -47.62 78.59 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.031 2.132 . . . . 0.0 116.438 -171.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.31 54.03 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 120.707 -1.246 . . . . 0.0 112.336 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.21 -46.58 83.27 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.363 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.08 -37.69 77.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.308 -1.495 . . . . 0.0 114.013 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.07 -25.82 47.21 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 119.943 -1.723 . . . . 0.0 112.949 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.316 1.7 p -80.98 -32.41 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 122.181 -0.599 . . . . 0.0 110.324 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -41.59 98.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 120.143 1.338 . . . . 0.0 114.126 173.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -61.98 -44.06 97.53 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.321 -1.487 . . . . 0.0 114.103 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -32.17 71.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.505 -1.372 . . . . 0.0 113.167 176.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.45 -39.7 81.36 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.113 2.165 . . . . 0.0 114.083 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.85 -45.12 71.91 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.36 -1.462 . . . . 0.0 112.578 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.2 ttm -56.83 -53.95 51.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -113.63 -9.41 13.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.532 2.733 . . . . 0.0 116.675 -165.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 0.5 OUTLIER 90.71 -46.51 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.199 2.272 . . . . 0.0 113.876 150.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -96.78 127.51 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.054 -1.654 . . . . 0.0 109.065 171.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt . . . . . 0 N--CA 1.43 -1.446 0 C-N-CA 124.649 1.179 . . . . 0.0 112.645 -169.628 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 N--CA 1.43 -1.469 0 CA-C-O 122.072 0.939 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -147.25 176.3 10.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.262 1.825 . . . . 0.0 106.393 -173.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.07 19.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 -170.222 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mt -33.66 -62.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.332 2.653 . . . . 0.0 116.321 147.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.02 -57.64 6.22 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.553 1.941 . . . . 0.0 116.231 170.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -61.2 -30.95 70.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.481 -2.012 . . . . 0.0 114.006 -177.158 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -82.76 -48.56 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 127.434 2.293 . . . . 0.0 114.096 176.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -61.53 -18.21 58.14 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 118.996 -2.315 . . . . 0.0 114.01 170.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' OE1' ' HE1' ' A' ' 44' ' ' HIS . 33.8 tt0 -69.98 -58.71 3.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.921 1.289 . . . . 0.0 110.481 167.309 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -42.48 -50.36 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 126.499 1.92 . . . . 0.0 115.508 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -79.75 -55.48 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.208 -1.558 . . . . 0.0 110.785 -172.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.5 m -56.07 -52.49 64.11 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.389 1.476 . . . . 0.0 113.144 -176.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.57 -44.29 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 CA-C-N 118.509 0.595 . . . . 0.0 110.154 -174.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.63 64.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 167.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.7 m -65.14 -41.91 94.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.716 1.207 . . . . 0.0 112.337 -176.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.27 -49.74 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.369 1.867 . . . . 0.0 112.352 173.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -84.25 -47.39 10.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.821 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 pt -61.85 -31.08 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 122.537 2.426 . . . . 0.0 115.71 -173.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.07 -71.66 0.06 Allowed 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 162.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -115.3 15.64 16.89 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.252 1.501 . . . . 0.0 112.184 -173.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -108.81 -72.14 0.73 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.064 -1.023 . . . . 0.0 111.526 176.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 127.54 0.33 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 123.44 1.591 . . . . 0.0 112.886 -153.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.79 -39.42 15.94 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.983 3.713 . . . . 0.0 110.829 173.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -24.07 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.803 2.841 . . . . 0.0 118.578 165.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.77 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.673 1.989 . . . . 0.0 112.482 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.371 9.1 m -59.45 -42.79 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.389 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -42.45 -33.33 0.65 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 177.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.45 83.96 2.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 169.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.256 14.1 mtm180 -25.99 -45.1 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.451 1 N-CA-C 123.799 4.74 . . . . 0.0 123.799 177.205 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.02 17.21 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 122.969 2.622 . . . . 0.0 116.729 174.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -89.89 -42.15 11.39 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.055 -1.653 . . . . 0.0 108.286 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -40.15 -49.12 2.61 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.956 3.317 . . . . 0.0 119.956 158.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -69.85 -45.8 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 126.899 2.08 . . . . 0.0 106.029 -175.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -14.57 62.72 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 117.995 -2.941 . . . . 0.0 115.62 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.6 -14.34 54.97 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 123.824 3.011 . . . . 0.0 106.921 175.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.18 -21.88 39.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.297 -1.502 . . . . 0.0 110.082 170.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -84.02 -9.87 58.32 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.233 -2.167 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.15 -52.47 23.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.892 1.677 . . . . 0.0 114.082 160.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -46.82 -36.86 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 173.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.48 42.84 6.37 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-O 119.311 -0.716 . . . . 0.0 113.91 -171.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -90.0 119.09 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 143.49 43.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.236 -1.54 . . . . 0.0 109.223 -168.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.43 ' HE1' ' OE1' ' A' ' 10' ' ' GLU 0.252 30.5 m80 -117.55 -112.49 0.34 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 119.809 1.186 . . . . 0.0 110.833 177.379 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.9 67.91 4.73 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.988 -1.07 . . . . 0.0 112.65 -166.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.11 -24.99 4.38 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 118.692 -2.505 . . . . 0.0 114.788 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -132.04 134.29 45.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.947 -1.326 . . . . 0.0 111.587 -153.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -44.71 124.86 4.54 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.799 2.039 . . . . 0.0 114.282 163.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.53 111.52 10.92 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.488 -2.008 . . . . 0.0 111.554 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -90.22 179.07 6.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.669 1.588 . . . . 0.0 110.135 173.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.68 -35.35 70.27 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.957 2.313 . . . . 0.0 109.255 -166.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -58.08 -25.86 61.83 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.934 4.094 . . . . 0.0 114.498 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -68.0 -12.38 60.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.717 -1.239 . . . . 0.0 113.758 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.6 -14.4 62.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.97 -1.706 . . . . 0.0 115.312 -177.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -69.2 -49.05 60.12 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.174 -1.578 . . . . 0.0 110.662 173.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.15 -49.27 32.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.509 2.724 . . . . 0.0 114.844 168.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.59 -75.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 128.004 2.522 . . . . 0.0 112.68 164.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.44 -21.71 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 122.007 2.185 . . . . 0.0 116.33 -155.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -88.2 -34.55 17.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 113.986 175.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -84.04 6.98 20.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.404 -2.06 . . . . 0.0 115.54 169.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.17 132.17 34.96 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.34 -1.475 . . . . 0.0 108.188 146.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -114.97 -158.2 0.66 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.827 1.651 . . . . 0.0 106.763 -166.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -73.93 -47.57 36.79 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 162.003 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.73 -34.72 76.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.977 -1.702 . . . . 0.0 111.657 -166.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.85 -50.64 72.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.142 2.177 . . . . 0.0 112.189 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -44.35 -47.3 9.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.742 2.417 . . . . 0.0 114.376 173.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -74.22 -55.87 5.55 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.259 -0.901 . . . . 0.0 112.95 -176.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.9 m -37.42 -46.81 0.82 Allowed 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 130.444 3.497 . . . . 0.0 115.457 163.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' HB3' ' H ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -49.24 -63.18 1.18 Allowed 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 169.494 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.414 ' H ' ' HB3' ' A' ' 69' ' ' LEU . 96.6 mt -65.36 -42.5 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.254 2.622 . . . . 0.0 110.651 -165.654 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.68 -27.02 67.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 131.567 3.947 . . . . 0.0 111.874 -171.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.15 -47.16 9.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.155 -0.965 . . . . 0.0 112.567 174.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -126.56 86.55 2.53 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -175.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.84 -29.33 23.83 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.243 1.017 . . . . 0.0 110.334 178.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.73 -51.71 67.77 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.483 1.513 . . . . 0.0 113.144 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.64 -25.49 75.47 Favored Glycine 0 N--CA 1.43 -1.703 0 O-C-N 120.854 -1.154 . . . . 0.0 115.415 173.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -65.94 -50.47 64.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.279 1.432 . . . . 0.0 111.022 175.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.02 -50.25 74.46 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.978 -1.077 . . . . 0.0 111.295 168.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.08 -35.74 8.76 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 118.241 2.056 . . . . 0.0 118.241 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.01 -22.19 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 119.559 -2.142 . . . . 0.0 110.455 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -70.31 -33.43 71.53 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.75 -1.844 . . . . 0.0 111.362 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.192 1.397 . . . . 0.0 112.489 168.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.64 -39.27 88.17 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.574 -1.329 . . . . 0.0 112.897 172.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.4 -53.71 55.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.837 1.655 . . . . 0.0 114.628 177.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.14 -33.52 70.14 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.174 0.99 . . . . 0.0 111.865 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 ttt -68.17 -52.49 33.93 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 169.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -105.87 -73.08 0.69 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.646 -1.908 . . . . 0.0 116.118 -169.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 t -163.35 141.88 8.07 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.104 -141.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -111.61 105.13 13.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.665 -1.897 . . . . 0.0 113.692 177.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.471 0 C-N-CA 124.974 1.31 . . . . 0.0 109.953 154.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.42 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -140.37 95.36 2.86 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 143.066 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.95 -8.91 53.26 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 178.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -82.01 -50.29 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 126.632 1.973 . . . . 0.0 108.743 -176.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.47 70.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.489 1.516 . . . . 0.0 112.44 168.352 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.5 m -57.09 -36.72 70.94 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 169.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.08 -41.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 118.986 -2.321 . . . . 0.0 111.114 -174.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -12.87 60.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.76 -1.837 . . . . 0.0 112.831 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.59 -50.49 58.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.549 -1.344 . . . . 0.0 111.704 161.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.06 -49.42 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 125.376 1.47 . . . . 0.0 113.659 174.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.02 -38.43 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 124.998 1.319 . . . . 0.0 112.164 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -59.17 -62.59 1.77 Allowed 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.723 -1.236 . . . . 0.0 111.364 171.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.54 -12.34 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.995 -1.691 . . . . 0.0 114.471 -171.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.4 -34.62 17.49 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.094 0.958 . . . . 0.0 111.176 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -84.85 -33.97 22.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.865 -1.147 . . . . 0.0 110.598 -178.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.62 -21.99 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.601 -1.312 . . . . 0.0 110.901 170.091 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -64.53 -71.2 0.19 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.473 -2.017 . . . . 0.0 114.542 166.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 pt -70.79 -36.29 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -160.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -38.97 -64.09 0.48 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.474 2.31 . . . . 0.0 115.196 -178.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -110.61 43.84 1.35 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.028 1.731 . . . . 0.0 113.039 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.5 m -135.72 -96.05 0.24 Allowed 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 113.016 173.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.06 143.71 29.57 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.895 1.278 . . . . 0.0 107.667 -172.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.51 -34.74 60.83 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 125.011 2.338 . . . . 0.0 111.716 172.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.05 -24.08 2.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.978 2.911 . . . . 0.0 116.522 -162.209 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -46.91 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 118.971 -2.33 . . . . 0.0 112.902 170.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.43 -8.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 126.627 1.971 . . . . 0.0 113.441 176.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.59 -24.99 66.41 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -128.13 136.91 51.8 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 160.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -76.94 -19.61 57.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 125.343 3.701 . . . . 0.0 114.799 -174.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.53 1.12 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.374 1.47 . . . . 0.0 114.808 169.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -35.7 -47.17 0.47 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 121.55 3.907 . . . . 0.0 121.55 155.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.21 -55.0 40.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.833 2.053 . . . . 0.0 112.497 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.1 mt -61.24 -41.66 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 126.52 1.928 . . . . 0.0 110.62 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.75 90.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.844 0.83 . . . . 0.0 110.162 -176.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.03 -34.88 22.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 159.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.91 -13.86 60.97 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 117.135 -3.478 . . . . 0.0 114.421 173.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -75.63 -39.6 57.53 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 118.961 -2.337 . . . . 0.0 112.837 169.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -44.88 -30.32 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.524 3.527 . . . . 0.0 120.524 154.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.76 -23.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.504 -1.997 . . . . 0.0 110.504 169.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.09 42.8 4.88 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 119.054 -2.279 . . . . 0.0 111.967 164.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.27 114.84 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 126.13 1.772 . . . . 0.0 112.472 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.8 p -99.51 149.5 23.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.021 -2.299 . . . . 0.0 115.357 -157.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.401 ' HE1' ' HB2' ' A' ' 47' ' ' ARG . 2.3 p-80 -131.63 -176.72 4.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 163.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -45.88 92.88 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 -27.34 6.85 Favored Glycine 0 N--CA 1.429 -1.772 0 C-N-CA 126.84 2.162 . . . . 0.0 116.772 175.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HB2' ' HE1' ' A' ' 44' ' ' HIS . 65.6 mtt180 -135.12 172.19 13.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 119.502 1.651 . . . . 0.0 110.556 -168.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 174.71 11.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.471 -2.018 . . . . 0.0 108.316 171.325 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -97.85 122.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.773 -1.83 . . . . 0.0 112.903 -168.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -96.13 179.93 4.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.967 1.307 . . . . 0.0 109.76 172.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -72.32 -55.03 7.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.573 -1.954 . . . . 0.0 110.022 -163.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -36.31 -37.36 0.12 Allowed 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 132.688 4.395 . . . . 0.0 118.01 -178.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -85.21 15.29 4.35 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.461 -2.025 . . . . 0.0 114.787 -174.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -54.98 -34.6 63.49 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.473 1.909 . . . . 0.0 113.522 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -32.47 -68.98 0.09 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.688 2.106 . . . . 0.0 116.688 153.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -84.88 -9.27 58.29 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.993 -1.692 . . . . 0.0 115.079 -171.862 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -45.73 -67.77 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 120.236 -1.54 . . . . 0.0 115.042 148.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.56 -32.56 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -165.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -48.67 -45.48 38.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.713 2.005 . . . . 0.0 115.004 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -66.69 -13.66 61.55 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.56 147.11 27.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.995 1.379 . . . . 0.0 113.299 -168.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.4 m -124.08 151.51 43.77 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 128.315 2.646 . . . . 0.0 107.351 -176.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -25.07 -31.4 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 132.932 4.493 . . . . 0.0 120.927 176.063 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -33.52 -53.49 0.42 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.725 2.81 . . . . 0.0 113.211 161.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -50.65 -54.08 25.8 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 129.383 3.073 . . . . 0.0 113.645 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -57.28 -45.57 83.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.695 1.998 . . . . 0.0 111.092 -164.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.54 -40.7 18.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.253 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.6 m -52.51 -51.23 60.54 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.516 1.526 . . . . 0.0 113.789 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.87 -60.21 3.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.33 1.452 . . . . 0.0 112.638 175.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.71 -32.51 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.695 -1.253 . . . . 0.0 112.468 -169.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.81 -45.22 67.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.107 -1.62 . . . . 0.0 115.192 171.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -73.93 -46.72 42.5 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.012 -1.68 . . . . 0.0 112.328 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -107.71 26.43 10.31 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.327 1.451 . . . . 0.0 112.882 -157.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -49.06 -53.37 20.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.36 2.264 . . . . 0.0 113.597 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.335 1.054 . . . . 0.0 113.518 179.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.57 89.7 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 124.939 1.257 . . . . 0.0 113.911 177.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -65.97 -51.92 54.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.461 1.904 . . . . 0.0 112.046 175.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.15 -39.96 88.21 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 178.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.19 -57.37 17.09 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.361 0.981 . . . . 0.0 113.571 175.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.04 -32.18 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.309 -1.701 . . . . 0.0 115.386 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -53.3 -45.3 68.91 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.221 1.409 . . . . 0.0 112.165 172.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.62 -28.75 66.19 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -66.14 -44.43 84.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.543 -1.973 . . . . 0.0 110.583 170.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.79 -38.44 91.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.573 1.549 . . . . 0.0 113.023 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.81 -45.91 80.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.564 -1.335 . . . . 0.0 112.344 172.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.6 mmt -79.23 -39.55 32.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 120.037 1.29 . . . . 0.0 114.097 -174.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.6 -69.95 0.72 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 121.725 2.057 . . . . 0.0 112.888 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.56 145.39 4.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.731 -157.123 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -110.33 86.58 2.33 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.119 0.968 . . . . 0.0 109.393 -173.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -170.514 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt . . . . . 0 N--CA 1.43 -1.445 0 CA-C-O 124.065 1.888 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.48 -18.01 37.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 114.662 -1.154 . . . . 0.0 107.976 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.58 -52.14 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.569 1.548 . . . . 0.0 110.145 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 -59.45 2.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 130.82 3.648 . . . . 0.0 112.756 167.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -49.63 -62.28 1.64 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.13 -41.31 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.455 1.902 . . . . 0.0 114.478 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -65.31 -31.34 72.43 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.171 2.259 . . . . 0.0 112.013 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.112 1.365 . . . . 0.0 113.304 172.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.43 -61.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.854 -1.154 . . . . 0.0 112.074 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.33 -47.2 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.144 1.378 . . . . 0.0 114.189 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -67.87 -40.06 83.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.139 -1.6 . . . . 0.0 113.082 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.62 -35.97 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.804 -1.185 . . . . 0.0 110.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.32 -54.67 42.7 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -51.89 -50.25 61.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.16 2.184 . . . . 0.0 113.271 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.45 -42.25 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.558 1.072 . . . . 0.0 113.185 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.444 HD11 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -77.82 -22.74 49.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.635 -1.291 . . . . 0.0 113.19 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.298 13.0 pt -85.67 -57.39 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 118.611 -2.555 . . . . 0.0 115.147 169.25 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.255 1.7 tmtp? -29.6 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.876 3.27 . . . . 0.0 116.057 -174.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.32 18.3 22.09 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 125.227 3.649 . . . . 0.0 111.893 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -125.2 -76.87 0.59 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -171.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt85 -140.77 91.35 2.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.392 -1.442 . . . . 0.0 112.024 -160.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.43 -31.49 18.79 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.321 -1.487 . . . . 0.0 113.013 -172.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.86 -13.84 2.96 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 129.104 2.961 . . . . 0.0 116.845 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD11 ' A' ' 18' ' ' LEU . 7.0 pt -96.15 -21.99 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 126.311 1.844 . . . . 0.0 112.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG21 HG21 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -76.39 -23.55 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.168 1.387 . . . . 0.0 111.798 173.366 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -49.76 -58.95 4.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.713 2.805 . . . . 0.0 115.558 165.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.78 89.37 2.99 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.988 1.715 . . . . 0.0 107.096 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.01 -5.32 16.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -157.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.01 55.66 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 120.065 1.302 . . . . 0.0 111.41 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -66.35 -45.22 80.94 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.83 1.252 . . . . 0.0 110.63 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.03 -51.79 22.7 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.518 1.527 . . . . 0.0 114.728 167.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.9 -53.26 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.973 1.709 . . . . 0.0 110.802 -173.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.88 -13.14 60.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.08 -25.2 25.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.769 2.077 . . . . 0.0 110.825 166.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -33.05 51.79 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.279 -1.513 . . . . 0.0 111.989 175.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -72.44 -39.48 67.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.66 -2.525 . . . . 0.0 113.216 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -33.6 -43.53 0.13 Allowed 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.144 2.978 . . . . 0.0 117.219 163.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.18 -37.52 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.706 2.402 . . . . 0.0 115.822 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.42 23.46 5.71 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 120.24 -1.538 . . . . 0.0 112.649 -164.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -83.33 109.73 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -117.31 155.87 28.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 121.652 2.024 . . . . 0.0 112.54 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -128.01 -125.48 0.22 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.471 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -86.36 66.2 9.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.64 -166.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.53 -11.2 19.68 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.597 1.57 . . . . 0.0 114.923 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.67 174.73 10.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.082 1.353 . . . . 0.0 110.807 -159.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -79.47 171.26 15.4 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.77 -1.206 . . . . 0.0 111.105 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -81.22 132.35 35.34 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.863 -1.773 . . . . 0.0 112.893 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -108.01 139.11 43.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.444 1.498 . . . . 0.0 108.465 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -70.65 -18.65 62.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.681 -1.887 . . . . 0.0 113.452 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -63.75 -28.33 69.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.416 2.286 . . . . 0.0 113.594 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m -78.81 7.45 7.05 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.74 -28.76 57.56 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.986 -2.321 . . . . 0.0 115.423 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -60.67 -43.71 97.36 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.793 -1.817 . . . . 0.0 113.282 168.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.07 -13.82 62.66 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.226 3.011 . . . . 0.0 115.416 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -82.29 -69.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.122 -0.986 . . . . 0.0 109.037 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.49 -27.71 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.763 -1.21 . . . . 0.0 114.23 -159.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -72.73 -37.52 67.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.193 -0.942 . . . . 0.0 111.353 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -4.23 44.94 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.935 2.494 . . . . 0.0 116.825 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.01 157.56 19.42 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.362 -1.461 . . . . 0.0 108.433 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -114.6 -177.07 3.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.37 -36.04 71.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.738 -1.851 . . . . 0.0 110.914 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -50.65 -47.66 58.49 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 125.783 2.706 . . . . 0.0 112.91 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.28 -38.3 68.82 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.725 2.81 . . . . 0.0 113.105 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -52.9 -50.66 63.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.002 -1.061 . . . . 0.0 112.247 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -62.91 -55.98 21.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.879 1.672 . . . . 0.0 110.557 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.9 m -38.97 -53.21 1.77 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 131.659 3.984 . . . . 0.0 115.959 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -45.54 83.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 124.499 2.095 . . . . 0.0 112.014 -174.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.88 -58.59 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 110.878 -2.874 . . . . 0.0 109.851 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -43.83 81.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -176.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -71.58 -45.69 61.48 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.301 -1.499 . . . . 0.0 113.432 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.88 63.38 0.92 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 110.423 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.32 -29.16 66.93 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.796 -1.19 . . . . 0.0 112.288 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -54.99 -45.31 75.03 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.15 1.78 . . . . 0.0 112.749 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.34 -31.27 57.32 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 124.362 0.982 . . . . 0.0 114.234 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.15 -55.89 14.12 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 118.196 0.998 . . . . 0.0 111.231 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.86 -41.94 83.46 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 113.112 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.36 -57.7 7.07 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.066 1.317 . . . . 0.0 114.907 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.62 -30.44 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 119.18 1.49 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -62.23 -38.14 88.06 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.203 -1.561 . . . . 0.0 112.474 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -66.95 -41.83 86.26 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.391 -1.443 . . . . 0.0 113.375 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.8 t80 -59.81 -47.23 86.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.712 1.205 . . . . 0.0 111.191 172.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.76 -52.86 54.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.884 2.074 . . . . 0.0 115.515 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.33 -30.86 66.7 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.552 -1.343 . . . . 0.0 113.568 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.9 ttm -89.04 -42.73 11.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -87.12 -74.15 0.45 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.553 -1.342 . . . . 0.0 111.532 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.429 0 C-N-CA 118.393 -1.323 . . . . 0.0 109.758 -167.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -71.66 -16.01 62.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.629 -1.919 . . . . 0.0 113.47 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.08 -57.35 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 126.16 1.784 . . . . 0.0 109.872 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -54.02 -43.92 70.53 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 125.925 1.69 . . . . 0.0 112.465 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -53.59 -64.86 0.69 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.156 1.382 . . . . 0.0 111.861 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 97.0 t -81.16 -28.65 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 121.797 2.09 . . . . 0.0 112.584 -171.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -72.16 -12.34 61.14 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.668 -1.895 . . . . 0.0 113.386 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -76.33 -48.49 19.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.873 162.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -47.44 -46.73 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 121.81 2.095 . . . . 0.0 114.8 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -53.99 -56.35 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.898 2.079 . . . . 0.0 111.294 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 m -64.27 -58.78 5.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.57 -1.956 . . . . 0.0 114.618 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.271 6.6 m -50.16 -35.13 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 175.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.68 -32.63 64.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.104 -2.248 . . . . 0.0 114.332 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 p -73.93 -39.67 63.62 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 123.719 0.807 . . . . 0.0 112.194 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.91 -44.81 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.602 1.561 . . . . 0.0 112.772 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -54.17 14.29 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.412 -1.43 . . . . 0.0 111.072 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 19' ' ' ILE 0.344 17.1 pt -67.54 -41.72 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 -168.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 6.7 mtpt -51.03 -63.68 1.05 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -154.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -115.8 68.53 0.72 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.076 0.95 . . . . 0.0 111.752 165.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -153.04 -94.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.186 -1.571 . . . . 0.0 112.28 167.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -119.83 125.38 48.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.215 1.806 . . . . 0.0 113.633 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -92.54 -27.12 17.58 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 127.822 2.449 . . . . 0.0 111.798 168.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -46.45 -49.85 17.64 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.641 1.976 . . . . 0.0 115.791 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -47.55 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.892 -1.13 . . . . 0.0 113.983 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.261 3.6 p -66.94 -16.52 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.24 -36.74 82.28 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.445 -2.035 . . . . 0.0 112.471 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -108.14 102.9 12.02 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.393 -1.442 . . . . 0.0 109.314 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -50.41 -51.07 49.64 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -162.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.47 -44.87 3.04 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.656 3.182 . . . . 0.0 114.402 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -69.46 -36.83 76.96 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 124.111 1.91 . . . . 0.0 110.456 -177.399 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -75.3 -36.74 61.1 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.953 -1.717 . . . . 0.0 110.766 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -51.86 -42.73 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.574 1.549 . . . . 0.0 113.095 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASN . . . -58.03 -45.98 86.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 131.05 3.74 . . . . 0.0 112.962 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.73 -51.72 68.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 131.356 3.862 . . . . 0.0 114.359 160.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.95 -49.55 77.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.112 3.142 . . . . 0.0 114.549 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -34.81 -43.72 0.19 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 130.856 3.662 . . . . 0.0 114.633 158.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.24 -42.9 96.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.724 1.725 . . . . 0.0 113.794 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.28 -38.04 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 128.505 2.722 . . . . 0.0 110.081 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.24 19.73 5.4 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 125.712 1.625 . . . . 0.0 114.098 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 42' ' ' VAL . 23.2 t -49.41 114.37 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.79 2.036 . . . . 0.0 113.281 150.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -152.73 -175.06 5.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.707 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 5.8 p-80 -132.81 -118.99 0.2 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.707 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 75.4 mt-10 -75.87 59.14 1.21 Allowed 'General case' 0 N--CA 1.43 -1.443 1 C-N-CA 132.894 4.478 . . . . 0.0 111.943 172.572 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.2 82.31 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 125.266 1.412 . . . . 0.0 113.283 166.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -128.44 156.44 43.2 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 130.686 3.594 . . . . 0.0 108.358 -175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -46.46 163.23 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.298 2.239 . . . . 0.0 114.996 172.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 tp -85.14 113.2 21.34 Favored 'General case' 0 N--CA 1.429 -1.524 0 O-C-N 117.924 -2.985 . . . . 0.0 110.61 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.55 -173.2 3.68 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.968 1.842 . . . . 0.0 114.982 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -47.24 15.15 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 128.409 2.684 . . . . 0.0 114.717 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -69.83 -44.52 69.77 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.743 2.017 . . . . 0.0 115.556 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -37.49 -34.46 0.1 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 131.411 3.884 . . . . 0.0 116.336 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -14.56 17.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.634 1.174 . . . . 0.0 113.775 -178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -72.09 -33.3 67.76 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 124.842 1.257 . . . . 0.0 111.334 168.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.44 -40.37 95.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.409 -2.682 . . . . 0.0 111.051 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 8' ' ' VAL . 46.2 mt -55.42 -69.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.12 -41.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.92 3.688 . . . . 0.0 117.651 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -57.09 -54.58 45.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.775 2.03 . . . . 0.0 113.013 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -79.99 5.31 14.38 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.772 1.629 . . . . 0.0 114.743 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -92.17 115.48 28.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -172.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -82.0 168.66 17.61 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 108.787 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -60.58 -35.16 75.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.873 -1.767 . . . . 0.0 110.725 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.75 -50.71 68.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.865 1.666 . . . . 0.0 111.077 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -54.82 -51.72 64.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.256 1.422 . . . . 0.0 113.948 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -54.98 -54.27 45.07 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.309 1.844 . . . . 0.0 111.591 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.29 -42.58 92.98 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.695 -1.253 . . . . 0.0 109.384 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -76.43 -20.69 56.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.782 1.233 . . . . 0.0 110.724 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tt -76.96 -52.31 9.62 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.3 mm -77.53 -11.04 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 122.745 1.259 . . . . 0.0 109.909 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.01 -39.65 79.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.054 -2.278 . . . . 0.0 111.408 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.75 -47.72 16.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.204 1.001 . . . . 0.0 111.771 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -129.76 96.61 4.28 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.269 1.033 . . . . 0.0 109.249 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -76.66 -41.14 46.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -45.77 -42.24 11.8 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 128.785 2.834 . . . . 0.0 116.793 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.56 -46.97 44.52 Favored Glycine 0 N--CA 1.429 -1.801 0 O-C-N 120.492 -1.38 . . . . 0.0 112.707 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -64.62 -50.24 67.91 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.857 1.263 . . . . 0.0 112.116 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -63.57 -28.2 69.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.37 -55.71 17.01 Favored Glycine 0 N--CA 1.429 -1.806 0 O-C-N 120.539 -1.35 . . . . 0.0 112.716 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.252 34.2 m -69.03 -42.47 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 121.886 -0.773 . . . . 0.0 112.974 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.01 -46.85 84.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.792 -1.193 . . . . 0.0 113.049 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.36 -35.71 61.08 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.768 -1.208 . . . . 0.0 113.663 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HA ' ' A' ' 20' ' ' LYS . 7.4 t80 -64.14 -48.65 75.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.951 -1.093 . . . . 0.0 111.189 172.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.7 -27.17 62.85 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.26 -1.525 . . . . 0.0 114.156 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.97 -49.44 60.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.388 -1.445 . . . . 0.0 114.219 166.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.9 mtp -95.19 -6.02 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.581 1.152 . . . . 0.0 113.096 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -108.72 -76.38 0.61 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 120.977 1.717 . . . . 0.0 107.223 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.43 -1.428 0 C-N-CA 117.641 -1.624 . . . . 0.0 111.243 -167.807 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 tptt . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -77.75 -17.77 57.21 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.16 -1.587 . . . . 0.0 112.11 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.06 -63.55 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 125.524 1.53 . . . . 0.0 113.771 163.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.36 -63.09 0.59 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.168 1.787 . . . . 0.0 115.579 167.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 m -51.33 -55.29 19.22 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.711 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -75.36 -40.49 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.195 -1.565 . . . . 0.0 109.454 -168.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -60.74 -41.19 94.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.844 -1.785 . . . . 0.0 115.248 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.55 -42.64 34.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 164.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.03 -53.71 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.428 1.091 . . . . 0.0 110.192 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.04 -58.45 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.614 2.365 . . . . 0.0 112.766 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -48.21 -69.62 0.12 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.421 -2.049 . . . . 0.0 114.191 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.66 -27.35 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.69 33.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.362 -1.461 . . . . 0.0 113.31 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -58.76 -44.97 90.74 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.292 2.237 . . . . 0.0 111.87 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.54 -37.53 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.342 2.257 . . . . 0.0 113.357 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.38 -57.68 3.74 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.582 1.153 . . . . 0.0 112.039 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 19.2 pt -66.87 -20.9 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -172.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -48.7 -67.75 0.24 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.149 2.179 . . . . 0.0 115.379 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -115.12 22.63 13.18 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.582 -1.323 . . . . 0.0 113.54 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.4 p -110.04 -81.57 0.58 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.431 -2.043 . . . . 0.0 114.247 167.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? 178.93 144.09 0.13 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.883 3.273 . . . . 0.0 102.852 -158.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -91.56 3.43 55.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.695 3.198 . . . . 0.0 113.816 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.71 -42.89 98.14 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.988 2.328 . . . . 0.0 111.959 -156.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.58 -62.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 131.181 3.793 . . . . 0.0 112.943 172.478 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.269 2.5 p -63.33 -31.8 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -52.96 -58.85 5.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.769 1.228 . . . . 0.0 112.498 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -100.13 84.23 2.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.393 -1.442 . . . . 0.0 109.809 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -26.67 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 120.863 3.653 . . . . 0.0 120.863 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.74 60.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.61 1.964 . . . . 0.0 112.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.45 -5.8 59.07 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 129.081 2.952 . . . . 0.0 110.499 169.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -87.96 -60.92 1.84 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.127 -2.233 . . . . 0.0 107.3 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 34' ' ' ILE . 78.5 mt -30.6 -48.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 129.714 3.205 . . . . 0.0 116.263 162.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.88 -17.92 42.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -67.78 -35.4 78.61 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 116.704 -3.747 . . . . 0.0 112.814 156.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.54 -28.04 68.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.225 -2.797 . . . . 0.0 115.687 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -74.7 -21.71 59.24 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.489 1.516 . . . . 0.0 111.38 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -53.5 57.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.379 1.561 . . . . 0.0 111.253 172.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.21 -42.82 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.382 2.273 . . . . 0.0 112.745 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.73 39.41 2.95 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 126.888 2.185 . . . . 0.0 113.783 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.32 145.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.498 1.919 . . . . 0.0 108.002 159.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -142.12 -172.35 3.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 102.89 -3.004 . . . . 0.0 102.89 164.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -115.64 -137.49 0.36 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.654 -1.279 . . . . 0.0 108.219 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.64 120.72 6.0 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.815 -1.178 . . . . 0.0 113.426 145.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.14 -27.53 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 130.553 3.93 . . . . 0.0 122.185 167.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -139.27 172.4 12.89 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.765 1.269 . . . . 0.0 107.991 -171.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.26 167.1 0.98 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.491 1.916 . . . . 0.0 112.555 156.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.2 tp -76.47 121.04 22.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.211 1.404 . . . . 0.0 110.879 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -92.53 145.0 24.78 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.484 -2.01 . . . . 0.0 108.414 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -54.76 -34.04 62.05 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.801 1.64 . . . . 0.0 115.167 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.8 -32.61 73.82 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.071 2.548 . . . . 0.0 116.087 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.3 96.5 p -72.04 -6.31 41.41 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -164.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -25.38 -44.42 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.71 3.226 . . . . 0.0 119.71 149.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -49.02 -62.18 1.67 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.67 3.188 . . . . 0.0 111.059 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -62.53 -28.53 69.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -74.91 -63.34 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 123.467 2.849 . . . . 0.0 109.098 -168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.7 -26.61 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.939 2.896 . . . . 0.0 116.059 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -71.92 -39.18 69.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.892 -1.13 . . . . 0.0 109.942 173.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.83 -38.94 36.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.493 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.5 117.52 14.27 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 121.261 1.846 . . . . 0.0 109.506 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -66.17 -173.74 0.21 Allowed 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 126.291 1.836 . . . . 0.0 112.599 -177.184 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.44 ' H ' HG22 ' A' ' 62' ' ' THR . 80.6 mt-30 -63.15 -33.49 75.58 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 117.285 -3.384 . . . . 0.0 112.668 162.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.78 -58.52 7.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.578 2.351 . . . . 0.0 114.431 171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.59 -37.03 84.06 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.724 1.609 . . . . 0.0 111.056 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -48.28 -61.8 1.81 Allowed 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 126.417 1.887 . . . . 0.0 112.41 164.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -67.16 -34.35 77.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.211 -1.555 . . . . 0.0 109.963 -172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.8 m -71.04 -44.69 65.28 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.831 1.652 . . . . 0.0 111.883 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -42.21 -58.42 2.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.299 2.239 . . . . 0.0 114.671 165.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.71 -42.35 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 129.161 2.984 . . . . 0.0 113.454 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.1 -49.37 77.93 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.228 -2.17 . . . . 0.0 112.813 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.18 -42.44 37.62 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.074 -1.016 . . . . 0.0 113.363 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -146.66 88.73 1.78 Allowed 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.979 -1.076 . . . . 0.0 109.98 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -77.07 -35.66 56.45 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.644 -1.91 . . . . 0.0 114.21 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -52.71 -35.67 56.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.894 2.477 . . . . 0.0 116.723 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.52 -63.44 4.48 Favored Glycine 0 N--CA 1.431 -1.685 0 O-C-N 120.704 -1.247 . . . . 0.0 113.529 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.58 -51.36 68.88 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.811 1.644 . . . . 0.0 113.857 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -78.92 -21.0 47.97 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.218 -2.176 . . . . 0.0 113.986 -169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.35 -42.51 49.18 Favored Glycine 0 N--CA 1.43 -1.758 0 O-C-N 120.329 -1.482 . . . . 0.0 112.898 167.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -68.35 -29.21 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 121.389 -1.065 . . . . 0.0 112.241 175.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.0 -43.56 73.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.389 1.476 . . . . 0.0 113.442 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -63.05 -38.59 91.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.082 -1.636 . . . . 0.0 113.964 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.6 t80 -59.87 -46.09 90.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.505 -1.372 . . . . 0.0 110.743 170.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.21 -33.61 72.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.645 -1.91 . . . . 0.0 114.55 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -65.5 -37.87 88.07 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.296 -1.503 . . . . 0.0 111.26 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.5 tpt -95.39 -37.3 11.01 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.255 1.822 . . . . 0.0 114.487 -169.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -96.72 -78.17 0.47 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.203 -1.561 . . . . 0.0 109.844 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.431 -1.412 0 C-N-CA 115.173 -2.611 . . . . 0.0 109.646 -177.799 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.344 1.069 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -56.3 -36.41 68.63 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.06 -1.65 . . . . 0.0 112.304 167.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.73 -51.22 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.16 2.184 . . . . 0.0 111.289 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.41 -65.81 0.38 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 129.13 2.972 . . . . 0.0 115.393 160.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 m -53.48 -51.51 62.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.826 1.648 . . . . 0.0 112.665 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.35 -45.63 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -60.85 -43.3 98.52 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 121.434 1.925 . . . . 0.0 113.259 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.96 -43.06 91.26 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.679 2.792 . . . . 0.0 115.196 170.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.11 -51.03 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 120.113 1.324 . . . . 0.0 112.51 171.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.6 -48.72 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 126.902 2.081 . . . . 0.0 112.903 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 m -57.32 -50.15 73.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.819 1.647 . . . . 0.0 112.73 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.27 -39.44 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 120.995 -1.066 . . . . 0.0 111.274 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.02 51.58 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 172.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -63.81 -38.89 92.78 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.258 1.023 . . . . 0.0 112.089 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.0 mt -58.6 -40.54 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 123.532 0.733 . . . . 0.0 112.274 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.41 -52.63 6.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 119.526 1.057 . . . . 0.0 112.216 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.683 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 27.1 pt -69.03 -29.9 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 119.128 -2.233 . . . . 0.0 116.443 -169.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -46.18 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 166.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.91 80.75 1.47 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.393 1.906 . . . . 0.0 112.868 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -166.8 -79.22 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.734 -1.229 . . . . 0.0 111.291 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.96 126.95 13.62 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.461 1.904 . . . . 0.0 109.911 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -89.05 -23.98 22.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.512 -1.368 . . . . 0.0 110.872 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -41.29 -1.59 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.422 1 C-N-CA 132.047 4.139 . . . . 0.0 119.496 151.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 33' ' ' PHE . 2.4 mt -92.66 -56.41 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.438 -2.039 . . . . 0.0 109.254 165.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 33' ' ' PHE 0.272 0.8 OUTLIER -55.97 -22.14 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 -175.977 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -41.33 -36.84 0.88 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 169.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -127.95 119.26 25.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.017 1.327 . . . . 0.0 108.478 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -30.55 -63.89 0.14 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 120.309 3.448 . . . . 0.0 120.309 166.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -25.16 67.77 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.312 -2.117 . . . . 0.0 115.236 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -74.72 -35.29 62.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.534 1.534 . . . . 0.0 109.384 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.446 ' HA ' HG22 ' A' ' 26' ' ' ILE . 9.2 t80 -68.55 -51.9 37.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 124.627 1.171 . . . . 0.0 109.465 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.63 -51.59 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.708 2.003 . . . . 0.0 112.505 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.37 -22.26 61.91 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -85.75 -17.52 35.62 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 119.512 1.051 . . . . 0.0 110.721 173.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.82 -31.09 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.769 2.028 . . . . 0.0 110.847 172.618 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.83 -39.75 94.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 118.579 -2.576 . . . . 0.0 114.624 168.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -33.48 -52.37 0.39 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 129.055 2.942 . . . . 0.0 116.256 166.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 40' ' ' ILE . 3.8 mt -50.08 -34.98 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 130.336 3.455 . . . . 0.0 115.549 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.29 43.44 0.84 Allowed Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.794 -1.191 . . . . 0.0 110.66 -172.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 37' ' ' LEU . 44.9 t -107.79 113.46 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -127.32 157.39 40.03 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 121.468 1.94 . . . . 0.0 109.556 -168.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CG ' ' H ' ' A' ' 45' ' ' GLU 0.427 1.2 p80 -111.55 -121.33 0.28 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.571 -1.33 . . . . 0.0 109.326 167.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 33.6 mt-10 -98.85 70.69 1.87 Allowed 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.163 -2.211 . . . . 0.0 108.567 -157.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 -3.47 11.84 Favored Glycine 0 N--CA 1.43 -1.708 0 O-C-N 120.035 -1.665 . . . . 0.0 116.015 -167.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -126.52 155.85 41.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.361 1.065 . . . . 0.0 109.284 -168.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.78 159.61 24.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.539 -1.351 . . . . 0.0 110.998 169.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -84.85 128.41 34.6 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.451 -1.406 . . . . 0.0 109.727 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.53 158.72 16.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.458 1.103 . . . . 0.0 109.993 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.2 -10.56 59.9 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.504 -1.372 . . . . 0.0 114.532 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -74.83 -43.15 56.13 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 111.549 171.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 m -71.06 5.27 2.15 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.224 1.809 . . . . 0.0 115.698 -174.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.07 -21.84 66.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.2 -1.563 . . . . 0.0 112.45 163.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -57.26 -53.75 54.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.187 -1.571 . . . . 0.0 112.604 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.4 -26.32 65.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.308 2.243 . . . . 0.0 115.887 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.66 -67.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.183 1.393 . . . . 0.0 111.654 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.72 -12.87 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.748 -1.22 . . . . 0.0 112.818 -157.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -72.19 -19.01 61.81 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 118.966 -2.334 . . . . 0.0 111.928 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -91.48 -17.1 26.25 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.725 . . . . 0.0 111.103 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.78 129.53 34.81 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.122 1.369 . . . . 0.0 110.23 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 63' ' ' GLN . 7.1 m -125.66 -166.58 1.57 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.208 -1.557 . . . . 0.0 107.754 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.716 ' H ' HG22 ' A' ' 62' ' ' THR . 54.2 mm-40 -77.96 -41.59 35.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 118.754 -2.466 . . . . 0.0 112.897 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -51.93 -47.49 64.66 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 124.71 2.195 . . . . 0.0 114.403 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.21 -26.4 35.95 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.291 1.837 . . . . 0.0 112.531 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -53.36 -53.17 55.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.642 1.977 . . . . 0.0 112.816 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -80.34 -30.24 38.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.124 1.77 . . . . 0.0 111.358 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.8 m -53.51 -44.02 68.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.973 1.709 . . . . 0.0 113.362 169.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.76 -57.82 7.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.657 1.983 . . . . 0.0 111.802 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mm -49.93 -52.49 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.924 2.89 . . . . 0.0 113.586 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -51.93 -42.12 62.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.36 1.464 . . . . 0.0 114.633 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.33 -47.43 42.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.983 -1.073 . . . . 0.0 113.618 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -150.52 98.22 2.61 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.7 -1.25 . . . . 0.0 111.635 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -78.43 -41.49 32.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.744 1.218 . . . . 0.0 113.67 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.85 -41.99 11.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 128.56 2.744 . . . . 0.0 117.992 -168.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.05 25.23 Favored Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.232 -1.543 . . . . 0.0 113.598 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.82 -43.61 98.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.204 1.801 . . . . 0.0 111.55 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.16 -49.83 72.77 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.518 1.927 . . . . 0.0 112.523 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.46 -54.73 19.36 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 125.969 1.747 . . . . 0.0 114.788 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.93 -17.13 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.182 -1.775 . . . . 0.0 114.088 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -67.45 -39.49 85.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.668 -1.895 . . . . 0.0 111.328 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -67.22 -31.36 71.69 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.471 -2.018 . . . . 0.0 113.234 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.683 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 6.4 t80 -64.4 -43.95 92.82 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.271 -1.518 . . . . 0.0 111.764 167.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.88 -44.68 82.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.569 2.348 . . . . 0.0 112.706 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.65 -46.06 91.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 111.701 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.5 mmm -69.67 -46.21 66.62 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -95.99 -74.17 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.097 -1.627 . . . . 0.0 115.36 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.429 -1.475 0 C-N-CA 116.968 -1.893 . . . . 0.0 112.965 -160.235 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 120.791 0.329 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.8 -34.93 73.68 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.321 -1.487 . . . . 0.0 113.61 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 69' ' ' LEU . 11.9 mt -61.35 -61.16 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.301 2.24 . . . . 0.0 113.743 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -45.76 -52.21 11.44 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 127.714 2.405 . . . . 0.0 114.924 161.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.8 m -51.41 -44.47 62.25 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.245 -2.159 . . . . 0.0 115.425 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -82.12 -33.84 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 120.643 -1.286 . . . . 0.0 110.504 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -56.25 -46.6 79.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 119.574 -1.953 . . . . 0.0 113.363 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.51 -50.17 72.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.983 2.113 . . . . 0.0 113.516 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -53.86 -53.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 125.317 1.447 . . . . 0.0 112.736 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.29 -42.65 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.007 1.723 . . . . 0.0 113.149 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 m -60.3 -54.83 41.01 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.152 1.381 . . . . 0.0 111.85 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.9 t -69.37 -41.71 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.868 -1.145 . . . . 0.0 111.772 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -28.81 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -81.8 -38.81 24.98 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.826 -1.796 . . . . 0.0 111.811 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -41.08 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.55 1.54 . . . . 0.0 112.209 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -43.23 -60.72 1.57 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.036 2.134 . . . . 0.0 116.585 165.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 19' ' ' ILE . 27.5 pt -83.19 -52.21 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -28.98 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 128.262 2.625 . . . . 0.0 116.026 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -104.84 17.74 23.59 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 122.46 2.391 . . . . 0.0 111.272 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -123.54 -75.99 0.59 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.059 -1.651 . . . . 0.0 114.102 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -142.6 107.19 4.82 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.461 -1.4 . . . . 0.0 113.862 -165.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -87.54 -24.0 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.151 -2.218 . . . . 0.0 112.109 171.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.25 7.8 p-10 -42.05 -0.2 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 130.505 3.522 . . . . 0.0 118.945 151.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mm -100.55 -56.54 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.608 -1.932 . . . . 0.0 110.089 165.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -56.16 -18.38 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 117.47 2.396 . . . . 0.0 117.47 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -49.12 -30.23 6.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 168.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -136.17 109.55 7.88 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.768 1.627 . . . . 0.0 107.054 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.41 -28.26 68.49 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.5 73.16 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 124.695 3.407 . . . . 0.0 116.212 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.34 -53.77 43.54 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.856 1.262 . . . . 0.0 111.281 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -45.07 -54.91 6.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.494 1.918 . . . . 0.0 115.41 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -55.16 -53.76 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.084 2.154 . . . . 0.0 112.517 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.13 68.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.97 -27.04 36.13 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.234 1.014 . . . . 0.0 110.865 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.4 -23.55 34.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.543 -1.348 . . . . 0.0 112.288 171.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.14 -35.35 74.01 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.199 -2.813 . . . . 0.0 113.656 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -34.12 -45.33 0.2 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 160.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mm -49.81 -34.26 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.72 2.808 . . . . 0.0 114.193 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.84 21.33 7.16 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 125.921 1.724 . . . . 0.0 111.624 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -77.11 98.04 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 124.659 1.184 . . . . 0.0 108.409 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.2 145.61 48.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.27 -1.519 . . . . 0.0 111.574 -162.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.456 1.6 p80 -109.69 -119.36 0.28 Allowed 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 117.207 -1.378 . . . . 0.0 108.593 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -105.63 75.04 1.11 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 124.285 3.221 . . . . 0.0 107.138 -167.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.04 -11.77 40.7 Favored Glycine 0 N--CA 1.43 -1.766 0 N-CA-C 118.322 2.089 . . . . 0.0 118.322 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -135.37 152.13 51.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 118.97 1.385 . . . . 0.0 110.056 -157.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.91 161.79 29.75 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.301 -1.499 . . . . 0.0 112.458 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.65 124.18 31.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.33 -2.106 . . . . 0.0 111.137 -173.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.51 144.78 32.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.106 1.762 . . . . 0.0 108.629 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.28 -27.32 64.32 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.801 -1.812 . . . . 0.0 113.404 -155.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.56 -20.72 63.59 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.909 2.884 . . . . 0.0 113.209 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -75.89 8.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -59.23 -32.78 70.28 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.89 -2.381 . . . . 0.0 114.328 165.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -62.01 -39.6 92.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.221 173.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.78 -35.83 81.88 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.518 1.927 . . . . 0.0 113.665 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -57.23 -63.92 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.251 1.02 . . . . 0.0 111.046 168.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.16 -24.05 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 121.219 -0.926 . . . . 0.0 111.377 -151.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.5 p -74.38 -37.86 63.32 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 120.977 -1.077 . . . . 0.0 111.966 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -35.69 80.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.035 1.334 . . . . 0.0 113.373 177.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 131.93 45.81 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 121.157 -0.965 . . . . 0.0 111.573 170.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.62 -178.89 3.81 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.713 -1.867 . . . . 0.0 106.276 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -53.83 -40.27 66.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.418 -1.426 . . . . 0.0 113.121 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -50.87 -53.61 30.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 124.574 2.131 . . . . 0.0 113.78 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.31 -46.11 64.9 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 129.947 3.299 . . . . 0.0 112.124 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -44.85 -53.59 7.34 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.03 2.532 . . . . 0.0 112.62 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.257 0.2 OUTLIER -73.21 -38.94 65.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.56 1.544 . . . . 0.0 110.229 176.512 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.3 m -54.18 -46.09 72.27 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.892 2.133 . . . . 0.0 114.063 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.9 pp -85.34 -22.01 28.67 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.59 -1.319 . . . . 0.0 113.072 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.59 -53.17 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.634 -1.291 . . . . 0.0 110.884 160.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.72 -58.37 4.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.191 2.996 . . . . 0.0 116.83 173.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -64.24 -36.23 83.41 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.339 0.2 OUTLIER -132.18 83.43 2.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 123.345 1.545 . . . . 0.0 111.698 172.641 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -62.39 -43.14 99.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.23 1.812 . . . . 0.0 113.425 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.63 -14.56 63.1 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.75 -53.88 17.69 Favored Glycine 0 N--CA 1.43 -1.729 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.63 -46.47 70.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.82 1.648 . . . . 0.0 112.372 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -54.56 -51.64 64.59 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.18 -28.95 57.38 Favored Glycine 0 N--CA 1.43 -1.72 0 O-C-N 119.486 -2.009 . . . . 0.0 114.841 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.42 3.8 p -75.51 -41.9 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.341 -0.929 . . . . 0.0 113.021 174.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.17 -41.37 86.08 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.045 -1.66 . . . . 0.0 112.201 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -55.09 -51.89 64.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.738 -1.226 . . . . 0.0 113.405 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -43.42 81.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.738 -1.226 . . . . 0.0 112.129 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -54.22 -41.28 68.52 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.001 -2.312 . . . . 0.0 115.316 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.12 -44.18 96.35 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.894 1.278 . . . . 0.0 112.546 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.3 mtt -60.6 -62.68 1.69 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.417 14.2 p90 -75.94 -73.6 0.26 Allowed 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.561 -1.337 . . . . 0.0 113.92 -168.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.429 -1.494 0 CA-C-N 122.136 2.244 . . . . 0.0 112.255 -170.337 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 N--CA 1.43 -1.463 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.31 -32.62 17.26 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.887 -1.758 . . . . 0.0 109.264 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.95 -48.96 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.51 0 C-N-CA 127.926 2.49 . . . . 0.0 111.256 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.31 -53.14 5.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.619 1.968 . . . . 0.0 115.436 158.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -52.2 -67.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 122.354 2.343 . . . . 0.0 113.021 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.451 HG21 HD11 ' A' ' 61' ' ' LEU . 58.9 t -56.88 -37.64 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 117.042 2.238 . . . . 0.0 117.042 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -67.09 -33.01 74.56 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.622 -1.924 . . . . 0.0 113.898 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -62.84 -53.26 56.97 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.898 2.079 . . . . 0.0 112.187 169.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -42.47 -54.78 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.324 15.1 tt -68.86 -49.12 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.748 2.819 . . . . 0.0 112.357 -175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m -65.61 -48.29 72.78 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.933 -1.73 . . . . 0.0 113.783 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.49 -47.37 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.157 1.383 . . . . 0.0 111.229 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.25 24.72 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 168.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -66.32 -42.46 88.19 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.339 1.456 . . . . 0.0 110.005 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.92 -39.4 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 124.725 1.21 . . . . 0.0 112.927 172.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -87.21 -46.37 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 120.763 1.619 . . . . 0.0 113.549 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 31.4 pt -71.89 -23.15 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 123.387 2.812 . . . . 0.0 117.614 -168.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -67.24 -55.39 14.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.736 -1.227 . . . . 0.0 111.164 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -115.92 80.2 1.41 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.516 2.326 . . . . 0.0 111.967 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -173.37 -94.93 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.75 1.22 . . . . 0.0 109.786 161.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -130.88 139.08 50.08 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.532 1.933 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 -23.18 22.62 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.628 1.104 . . . . 0.0 110.675 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -40.13 -40.72 1.14 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -42.27 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 118.587 -2.571 . . . . 0.0 112.356 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.331 0.5 OUTLIER -73.61 -41.52 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.056 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 121.278 3.807 . . . . 0.0 121.278 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -148.21 88.23 1.64 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 168.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -27.2 -38.07 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 120.479 3.511 . . . . 0.0 120.479 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.75 -44.2 2.15 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 168.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.48 -50.85 27.49 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 128.523 2.729 . . . . 0.0 113.531 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -43.72 -46.59 7.59 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 166.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -53.56 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.197 2.199 . . . . 0.0 107.518 -173.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -19.22 63.46 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 39' ' ' GLU . 16.8 t80 -80.84 -12.23 59.46 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 123.162 2.71 . . . . 0.0 111.568 168.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.23 -25.44 39.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.999 -1.063 . . . . 0.0 113.018 161.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.74 -42.81 97.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.096 -2.253 . . . . 0.0 112.233 165.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 36' ' ' PHE . 2.3 tt0 -41.17 -50.16 3.53 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 162.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mt -55.49 -40.44 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 13.88 21.56 Favored Glycine 0 N--CA 1.429 -1.804 0 N-CA-C 116.189 1.236 . . . . 0.0 116.189 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.3 1.0 OUTLIER -56.87 108.5 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-O 124.573 2.13 . . . . 0.0 114.269 167.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.1 p -109.07 144.19 37.42 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.598 2.142 . . . . 0.0 112.811 168.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -108.15 -164.53 0.97 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.313 3.045 . . . . 0.0 106.062 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.56 111.71 0.63 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.956 1.707 . . . . 0.0 114.847 -171.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.52 -7.66 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 129.484 3.421 . . . . 0.0 120.792 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -141.15 153.22 45.26 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 120.423 2.111 . . . . 0.0 112.091 -158.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -51.41 142.09 14.24 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.729 -1.857 . . . . 0.0 114.724 164.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.58 112.75 8.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 118.975 -2.328 . . . . 0.0 112.565 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.34 171.0 15.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.941 1.696 . . . . 0.0 113.92 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.79 -43.61 68.32 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.588 2.137 . . . . 0.0 109.535 -170.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -74.32 -8.64 56.94 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 130.921 3.688 . . . . 0.0 113.795 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -67.97 -2.32 7.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.289 -1.507 . . . . 0.0 113.629 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.28 -23.88 59.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.316 1.446 . . . . 0.0 111.309 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -54.55 44.86 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.459 -2.026 . . . . 0.0 113.779 168.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -44.96 -54.83 6.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 128.252 2.621 . . . . 0.0 116.486 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.259 21.0 mm -42.89 -69.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.221 2.608 . . . . 0.0 111.495 163.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 p -71.18 -28.29 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 123.779 2.99 . . . . 0.0 111.88 -161.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -72.68 -51.84 17.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.911 -1.743 . . . . 0.0 113.507 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.36 -36.19 2.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 167.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD11 HG21 ' A' ' 8' ' ' VAL . 75.7 mt -83.42 103.49 12.83 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 125.986 1.714 . . . . 0.0 113.437 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.0 p -94.4 -158.7 0.65 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.908 -1.745 . . . . 0.0 111.347 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.58 -34.8 78.62 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.231 -1.543 . . . . 0.0 110.781 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -49.19 -46.86 46.16 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.843 2.057 . . . . 0.0 114.489 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -55.56 18.19 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.519 1.128 . . . . 0.0 109.609 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -53.74 -53.94 45.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.719 2.2 . . . . 0.0 110.694 -152.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -80.55 -28.74 37.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 130.158 3.383 . . . . 0.0 110.659 -174.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.8 m -61.24 -49.43 77.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 121.328 1.876 . . . . 0.0 112.306 170.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.07 -61.33 2.1 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.199 1.8 . . . . 0.0 113.823 -167.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -22.4 -56.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 129.115 2.966 . . . . 0.0 117.976 142.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.23 -44.07 66.06 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.602 3.364 . . . . 0.0 113.114 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.98 -45.62 66.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.189 1.396 . . . . 0.0 113.597 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -134.22 99.68 4.47 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.529 -1.357 . . . . 0.0 109.138 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.28 -41.94 47.17 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 110.33 -172.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.44 -36.82 71.89 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 127.816 2.446 . . . . 0.0 116.143 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -44.08 98.3 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 113.025 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.16 -52.66 38.79 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.356 1.062 . . . . 0.0 111.079 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -48.43 -53.1 19.07 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.588 2.355 . . . . 0.0 114.489 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.6 -35.99 92.76 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 116.426 1.33 . . . . 0.0 116.426 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.96 -30.75 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 119.522 1.661 . . . . 0.0 111.811 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.52 -46.13 89.75 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.046 1.738 . . . . 0.0 112.407 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -67.06 -44.93 78.86 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.781 1.232 . . . . 0.0 113.591 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.1 t80 -59.26 -56.86 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.614 1.166 . . . . 0.0 112.238 176.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.13 -32.04 73.46 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.545 -1.347 . . . . 0.0 114.032 -169.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.78 -43.27 76.05 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 123.99 0.916 . . . . 0.0 112.177 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.0 mtt -78.22 -39.28 40.95 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 113.509 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -78.15 -71.96 0.4 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.442 -1.412 . . . . 0.0 113.665 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.322 3.5 t . . . . . 0 N--CA 1.43 -1.452 0 C-N-CA 116.047 -2.261 . . . . 0.0 116.735 -147.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -72.34 -28.75 63.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.534 -1.354 . . . . 0.0 113.05 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 tt -73.62 -25.1 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 121.237 1.835 . . . . 0.0 113.722 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.41 -28.44 62.97 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 118.375 -2.703 . . . . 0.0 113.985 164.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.466 HG23 ' CE1' ' A' ' 44' ' ' HIS . 20.5 m -61.8 -44.51 96.72 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 117.215 -3.428 . . . . 0.0 113.263 167.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 11' ' ' ILE . 92.5 t -70.44 -52.9 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.703 3.201 . . . . 0.0 116.693 -177.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -57.36 -36.57 71.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.556 -1.965 . . . . 0.0 113.909 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 7.9 mt-10 -60.76 -35.16 75.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 164.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 8' ' ' VAL . 13.2 mm -67.68 -41.49 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-N 122.834 2.561 . . . . 0.0 110.309 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.76 -41.85 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 121.08 -1.012 . . . . 0.0 109.611 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -66.58 -59.04 3.98 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.019 1.328 . . . . 0.0 112.426 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.97 -39.74 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.778 1.231 . . . . 0.0 112.827 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.21 67.81 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.136 -1.603 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -64.24 -52.98 56.09 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.118 -0.989 . . . . 0.0 111.265 170.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.1 mt -42.25 -51.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 127.348 2.259 . . . . 0.0 113.936 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -70.62 -34.85 72.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.181 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 83' ' ' TYR . 12.1 pt -79.91 -48.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 122.467 2.394 . . . . 0.0 114.327 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -30.62 -74.28 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.973 2.909 . . . . 0.0 117.189 169.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -114.74 18.29 16.66 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.377 -1.452 . . . . 0.0 114.219 -175.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -133.34 -94.26 0.32 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.576 -1.327 . . . . 0.0 112.942 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -136.85 116.48 12.94 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 -167.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.03 -36.33 56.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.372 -2.08 . . . . 0.0 113.879 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.88 -30.5 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 129.582 3.153 . . . . 0.0 118.38 162.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -21.06 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 124.929 3.513 . . . . 0.0 114.109 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.8 -22.49 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.862 -1.149 . . . . 0.0 113.817 -174.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.42 -7.05 12.11 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -173.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -148.38 116.02 6.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.333 1.053 . . . . 0.0 110.025 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -26.26 -65.24 0.06 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.87 2.868 . . . . 0.0 116.345 168.676 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.04 66.92 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 124.975 3.534 . . . . 0.0 118.049 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.34 -20.5 28.21 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.648 -1.282 . . . . 0.0 110.442 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -80.02 -44.8 19.52 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.038 1.335 . . . . 0.0 108.236 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -49.59 -54.01 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 126.592 1.957 . . . . 0.0 111.779 164.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.16 22.59 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 18' ' ' LEU . 36.9 t80 -75.77 -29.28 58.74 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.951 -2.343 . . . . 0.0 110.835 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.97 -14.64 60.23 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.307 1.843 . . . . 0.0 110.605 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.95 -21.47 27.87 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.063 -2.273 . . . . 0.0 108.275 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.87 -53.35 33.17 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.083 1.753 . . . . 0.0 112.487 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.88 -34.85 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 126.25 1.82 . . . . 0.0 115.79 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.02 42.44 1.94 Allowed Glycine 0 N--CA 1.429 -1.818 0 O-C-N 120.937 -1.102 . . . . 0.0 114.211 -175.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 112.07 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 121.618 -0.93 . . . . 0.0 111.776 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -120.42 149.31 42.56 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.059 -1.651 . . . . 0.0 107.667 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' A' ' 7' ' ' THR . 27.3 m80 -133.15 -119.81 0.19 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.997 -1.689 . . . . 0.0 110.086 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.93 58.79 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.756 2.422 . . . . 0.0 116.857 -174.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.05 -27.4 8.31 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 126.858 2.17 . . . . 0.0 113.55 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -124.35 -168.73 1.85 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.165 1.482 . . . . 0.0 112.534 -167.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -81.22 169.25 17.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.324 1.85 . . . . 0.0 107.698 166.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.82 108.49 19.17 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.852 -1.78 . . . . 0.0 110.24 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -108.38 136.03 48.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.24 1.416 . . . . 0.0 110.365 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -76.7 -14.44 59.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.337 -2.102 . . . . 0.0 115.181 -160.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -75.19 -16.47 60.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.568 -1.333 . . . . 0.0 111.846 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 m -88.37 8.88 25.5 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.261 1.425 . . . . 0.0 112.208 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.32 -29.39 70.47 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.468 -2.02 . . . . 0.0 112.264 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -39.79 -46.56 1.95 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.116 -2.24 . . . . 0.0 116.86 157.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -83.25 -19.17 36.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.515 -1.365 . . . . 0.0 111.281 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.48 -75.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 124.276 1.03 . . . . 0.0 109.192 163.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.1 -10.35 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 118.842 -2.411 . . . . 0.0 114.397 -164.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 m -90.65 -23.33 20.8 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.39 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -97.51 -15.95 20.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 122.915 2.598 . . . . 0.0 114.565 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 8' ' ' VAL . 90.7 mt -63.89 137.01 57.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.448 1.099 . . . . 0.0 110.975 159.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -102.34 -168.4 1.53 Allowed 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -55.15 -53.31 57.56 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.533 -1.98 . . . . 0.0 115.37 159.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.34 -26.05 65.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.071 2.669 . . . . 0.0 113.212 -158.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.01 -44.83 94.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 128.338 2.655 . . . . 0.0 111.659 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.69 -56.67 17.2 Favored 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 124.929 1.292 . . . . 0.0 110.844 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.06 -45.83 68.27 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -41.16 -51.91 3.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 161.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.8 -26.77 18.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 120.724 -1.235 . . . . 0.0 113.336 -171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.3 mt -43.97 -71.05 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 O-C-N 119.19 -2.194 . . . . 0.0 114.206 151.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -46.55 -64.43 0.76 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.404 3.082 . . . . 0.0 117.431 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.6 -40.67 88.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.13 -1.606 . . . . 0.0 113.741 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.31 53.68 0.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.305 -1.497 . . . . 0.0 110.287 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.55 -40.11 77.04 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.532 1.533 . . . . 0.0 112.202 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.05 -27.64 69.25 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.028 -1.67 . . . . 0.0 113.907 172.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -38.08 62.29 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.013 1.292 . . . . 0.0 112.57 171.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.16 -42.68 99.0 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.364 1.466 . . . . 0.0 112.379 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.51 -59.68 4.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.998 1.319 . . . . 0.0 114.094 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.19 -30.68 55.3 Favored Glycine 0 N--CA 1.43 -1.742 0 C-N-CA 125.258 1.408 . . . . 0.0 116.615 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.305 3.5 p -87.16 -33.23 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 123.577 0.751 . . . . 0.0 112.104 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.3 -48.89 79.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.237 1.815 . . . . 0.0 112.99 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -60.98 -41.04 95.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.737 -1.227 . . . . 0.0 112.739 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' CE1' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -64.86 -40.57 95.35 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.061 -1.024 . . . . 0.0 111.948 172.417 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.29 -24.54 66.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.13 -2.231 . . . . 0.0 116.264 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.83 -39.08 70.01 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.366 -1.458 . . . . 0.0 112.385 166.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.8 mtp -57.79 -67.71 0.31 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.299 1.9 p90 -82.18 -75.74 0.29 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -161.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.431 -1.399 0 CA-C-N 122.576 2.444 . . . . 0.0 110.585 177.594 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 N--CA 1.43 -1.445 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.09 -21.22 27.78 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.198 -2.188 . . . . 0.0 108.818 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.31 -41.69 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.97 1.708 . . . . 0.0 108.249 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -55.03 -63.06 1.27 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.022 1.729 . . . . 0.0 111.992 165.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 m -42.16 -46.14 4.28 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.29 -36.59 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.54 -1.35 . . . . 0.0 110.619 -168.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -72.51 -18.67 61.63 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.965 -1.084 . . . . 0.0 111.982 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -66.17 -52.51 47.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.026 -1.671 . . . . 0.0 112.268 164.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.99 -52.48 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.726 -1.234 . . . . 0.0 112.935 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.29 -40.32 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.493 1.517 . . . . 0.0 112.665 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.4 m -65.87 -55.85 14.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.179 -1.576 . . . . 0.0 112.073 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.27 -43.54 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.2 -1.563 . . . . 0.0 111.72 -174.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.1 -43.69 51.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.587 1.555 . . . . 0.0 114.91 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -71.02 -38.15 72.6 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 124.52 1.128 . . . . 0.0 112.195 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.09 -31.37 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.02 1.728 . . . . 0.0 111.906 173.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.72 -60.24 2.54 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.303 1.441 . . . . 0.0 112.82 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -83.02 -19.89 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -163.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.45 -71.53 0.07 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.587 1.54 . . . . 0.0 114.106 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.58 63.6 0.61 Allowed 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.622 -1.299 . . . . 0.0 111.153 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 m -126.7 -94.59 0.46 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -146.65 144.92 29.83 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.346 1.858 . . . . 0.0 107.446 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.96 -13.27 39.34 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 121.097 1.771 . . . . 0.0 112.282 162.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.09 -38.25 37.65 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.372 2.269 . . . . 0.0 114.454 174.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 pt -67.17 -37.01 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 126.226 1.81 . . . . 0.0 114.105 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.02 -39.15 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.3 -1.5 . . . . 0.0 111.082 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -53.27 -38.78 63.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.721 2.408 . . . . 0.0 117.006 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -121.41 90.53 3.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 101.303 -3.591 . . . . 0.0 101.303 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -71.68 -13.38 61.72 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.028 -2.295 . . . . 0.0 115.042 -155.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.22 -54.83 1.76 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.17 1.788 . . . . 0.0 114.452 161.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -47.98 -44.43 30.51 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 120.319 3.452 . . . . 0.0 120.319 163.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.94 -37.38 72.85 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.989 2.516 . . . . 0.0 112.373 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.07 -38.58 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.72 80.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.12 -36.02 2.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 156.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.17 -22.92 41.44 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 123.969 3.077 . . . . 0.0 116.054 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.96 -55.94 25.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.011 -2.305 . . . . 0.0 113.859 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -37.91 -61.54 0.63 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.261 2.689 . . . . 0.0 118.261 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 40' ' ' ILE . 4.2 mt -48.33 -39.43 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.068 2.147 . . . . 0.0 114.088 176.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.41 36.03 2.75 Favored Glycine 0 N--CA 1.43 -1.754 0 C-N-CA 125.159 1.362 . . . . 0.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.41 113.69 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.888 -1.36 . . . . 0.0 112.586 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.9 p -113.22 154.22 27.09 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.036 -2.29 . . . . 0.0 113.715 -172.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -109.98 -140.11 0.38 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 155.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.261 0.8 OUTLIER -67.82 89.23 0.27 Allowed 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.419 1.009 . . . . 0.0 112.19 -178.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.99 -25.57 2.58 Favored Glycine 0 N--CA 1.43 -1.757 0 C-N-CA 125.669 1.604 . . . . 0.0 117.102 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -121.94 158.81 28.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.656 -1.496 . . . . 0.0 109.63 -162.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.89 172.81 9.24 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.11 -1.618 . . . . 0.0 111.531 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 tp -91.18 140.54 29.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.256 -2.153 . . . . 0.0 111.096 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -113.63 -171.44 1.89 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.544 1.938 . . . . 0.0 107.168 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -74.4 -51.97 13.45 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 123.453 1.597 . . . . 0.0 109.498 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -61.19 -31.57 71.32 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 130.286 3.434 . . . . 0.0 113.805 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -58.99 -3.04 0.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.81 -22.82 53.06 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.198 -1.564 . . . . 0.0 112.746 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -46.44 60.72 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.382 1.873 . . . . 0.0 113.084 161.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -56.86 -59.99 4.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 119.979 1.263 . . . . 0.0 112.877 171.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mm -40.24 -63.91 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.504 2.721 . . . . 0.0 114.426 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.01 -14.44 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.813 -1.805 . . . . 0.0 113.16 -170.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -65.1 -48.93 71.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.484 -1.385 . . . . 0.0 112.746 165.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -79.23 -13.11 59.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -172.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.8 120.66 29.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.231 1.412 . . . . 0.0 110.623 -174.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -105.36 -174.67 2.59 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 122.743 1.258 . . . . 0.0 111.405 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -55.51 -47.33 76.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.751 2.02 . . . . 0.0 114.046 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.22 -53.82 25.41 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.33 2.252 . . . . 0.0 115.767 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.21 -51.06 70.87 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.797 2.439 . . . . 0.0 111.116 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.93 -38.14 90.0 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-O 122.364 1.078 . . . . 0.0 111.101 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -40.56 63.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.223 1.409 . . . . 0.0 111.172 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.4 m -56.23 -39.76 73.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 127.096 2.158 . . . . 0.0 113.991 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.88 -67.08 0.46 Allowed 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.531 1.532 . . . . 0.0 112.452 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.9 mt -42.68 -48.48 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.935 2.894 . . . . 0.0 115.421 170.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.43 -39.77 64.63 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.06 -39.99 16.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.818 -1.176 . . . . 0.0 112.68 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -106.36 76.5 1.15 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.993 2.117 . . . . 0.0 110.272 -168.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -83.14 -71.12 0.51 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.389 -1.444 . . . . 0.0 112.038 -165.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -75.04 -9.48 58.58 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.878 1.271 . . . . 0.0 112.364 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.46 -47.63 41.58 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.705 -1.247 . . . . 0.0 112.65 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -67.62 -51.11 54.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 124.892 1.277 . . . . 0.0 111.765 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.57 -23.1 62.54 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.096 -1.628 . . . . 0.0 114.375 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.28 -49.99 69.2 Favored Glycine 0 N--CA 1.43 -1.736 0 O-C-N 121.13 -0.981 . . . . 0.0 111.342 172.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.17 -27.26 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.576 -1.543 . . . . 0.0 114.449 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.84 -40.52 76.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.572 -1.33 . . . . 0.0 112.611 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -60.47 -47.13 87.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 172.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -43.22 99.35 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.57 -1.331 . . . . 0.0 111.607 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.82 -50.98 70.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -68.41 -26.23 65.44 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.81 -1.182 . . . . 0.0 114.06 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -68.85 0.38 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 165.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.296 0.0 OUTLIER -79.42 -72.33 0.4 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 123.518 2.872 . . . . 0.0 115.745 -163.298 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 -156.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -34.18 -57.4 0.48 Allowed 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 129.243 3.017 . . . . 0.0 116.004 169.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -34.43 -56.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 159.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.21 -25.31 66.05 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 130.008 3.323 . . . . 0.0 113.46 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.6 m -74.62 -43.4 55.64 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.548 -1.97 . . . . 0.0 109.336 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.47 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 120.997 -1.065 . . . . 0.0 113.691 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.44 3.8 ppt_? -55.2 -28.19 51.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.26 -42.9 92.8 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.587 -1.946 . . . . 0.0 113.657 165.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -75.08 -29.55 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.775 2.08 . . . . 0.0 108.683 -172.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.21 -38.54 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.756 -1.215 . . . . 0.0 111.403 171.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -68.6 -58.85 3.67 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.848 1.659 . . . . 0.0 111.831 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.76 -37.95 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 O-C-N 120.826 -1.171 . . . . 0.0 112.711 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.23 -63.53 0.97 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 159.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -57.81 -41.75 82.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.148 -1.595 . . . . 0.0 114.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.97 -44.46 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 124.822 1.249 . . . . 0.0 113.222 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.67 -63.84 1.01 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.448 1.499 . . . . 0.0 113.915 170.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 35.2 pt -72.12 -21.68 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.645 -1.285 . . . . 0.0 114.22 -172.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.83 -57.37 10.44 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -115.66 19.8 15.06 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.7 p -138.43 -96.77 0.18 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.171 2.26 . . . . 0.0 111.91 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 118.8 14.5 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.722 1.601 . . . . 0.0 114.277 -165.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.04 -28.46 68.24 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.65 2.38 . . . . 0.0 117.166 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.91 -4.57 21.08 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -84.28 -32.89 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 C-N-CA 125.651 1.58 . . . . 0.0 112.069 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.51 -16.06 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.77 -1.831 . . . . 0.0 113.149 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -38.61 -59.91 0.87 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 155.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -102.25 101.05 11.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 122.449 2.386 . . . . 0.0 107.036 161.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.28 87.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.653 1.181 . . . . 0.0 113.958 -162.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.79 -22.64 25.57 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -85.83 -10.32 55.6 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.629 -1.919 . . . . 0.0 112.614 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.61 -42.89 57.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.054 -2.279 . . . . 0.0 109.538 167.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -53.35 -36.08 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 125.82 1.648 . . . . 0.0 112.906 168.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.7 -38.01 2.92 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 118.971 -2.331 . . . . 0.0 116.279 156.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.09 -38.76 31.04 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.17 -2.206 . . . . 0.0 114.38 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -43.04 -34.88 1.1 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.359 2.263 . . . . 0.0 114.002 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.53 -38.66 45.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.047 2.539 . . . . 0.0 115.997 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mt -86.66 -40.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.929 2.092 . . . . 0.0 108.952 -170.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.13 42.77 0.69 Allowed Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 124.554 1.073 . . . . 0.0 114.659 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -54.16 107.08 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 127.366 2.266 . . . . 0.0 114.805 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.3 p -123.76 150.34 44.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.557 -1.965 . . . . 0.0 111.888 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.274 0.5 OUTLIER -121.9 -135.35 0.31 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 116.041 -1.933 . . . . 0.0 107.624 168.389 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -72.18 60.31 0.42 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 122.25 2.296 . . . . 0.0 115.612 -166.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.98 -31.11 9.03 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 127.611 2.529 . . . . 0.0 114.198 -171.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -121.61 177.82 5.08 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 122.294 3.047 . . . . 0.0 113.84 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -70.77 157.11 38.62 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.286 2.635 . . . . 0.0 110.362 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.37 124.89 34.86 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 123.873 0.869 . . . . 0.0 108.879 -176.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -107.54 -172.84 2.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.479 1.911 . . . . 0.0 108.882 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.56 -41.05 16.84 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.064 -2.272 . . . . 0.0 109.53 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -58.62 -10.22 2.14 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 170.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -18.12 63.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 130.181 3.392 . . . . 0.0 117.343 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.85 -55.55 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -40.38 -52.76 2.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.333 2.253 . . . . 0.0 115.877 170.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -62.06 -43.48 98.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 129.761 3.225 . . . . 0.0 112.378 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.92 -48.83 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 122.699 1.237 . . . . 0.0 110.381 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.49 -43.78 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.742 1.617 . . . . 0.0 112.543 -164.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -11.41 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.103 3.371 . . . . 0.0 120.103 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -109.74 -26.65 9.74 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.35 1.46 . . . . 0.0 114.139 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.03 138.63 55.99 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 129.045 2.938 . . . . 0.0 113.03 164.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -124.69 -160.36 0.94 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 102.553 -3.129 . . . . 0.0 102.553 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.584 2.447 . . . . 0.0 115.456 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -34.9 -56.47 0.56 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 154.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -60.76 2.8 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.547 2.739 . . . . 0.0 111.89 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -44.66 -54.18 6.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.224 1.81 . . . . 0.0 114.2 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -63.19 -42.29 99.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.44 -1.412 . . . . 0.0 112.868 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -67.26 -50.26 61.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.401 3.08 . . . . 0.0 114.213 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.95 -47.71 80.03 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.056 2.142 . . . . 0.0 113.625 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.24 -62.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.353 2.661 . . . . 0.0 111.597 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.32 -48.23 6.82 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.22 2.208 . . . . 0.0 116.245 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -80.76 -46.17 15.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -120.59 47.2 1.83 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.167 -1.583 . . . . 0.0 112.681 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -38.42 90.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.384 -1.447 . . . . 0.0 113.033 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.67 -42.91 98.01 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.381 1.873 . . . . 0.0 113.131 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.31 -42.09 76.14 Favored Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 124.852 1.215 . . . . 0.0 113.297 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.12 -48.43 81.64 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.896 1.278 . . . . 0.0 113.438 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -65.51 -52.9 49.36 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.823 -1.798 . . . . 0.0 112.77 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.95 -31.4 2.79 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 119.897 2.719 . . . . 0.0 119.897 166.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.263 4.1 p -90.54 -37.87 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 CA-C-N 117.869 0.834 . . . . 0.0 111.112 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -56.82 -47.47 80.2 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.88 1.672 . . . . 0.0 113.138 170.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 -41.3 85.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.631 -1.293 . . . . 0.0 113.544 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 1.2 t80 -61.61 -51.51 68.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 123.929 0.892 . . . . 0.0 113.313 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.69 -43.21 57.56 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.745 2.018 . . . . 0.0 114.657 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.77 -56.15 17.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.747 -1.221 . . . . 0.0 112.565 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.5 mtt -54.72 -30.36 55.85 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.024 2.602 . . . . 0.0 118.024 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -114.02 -78.36 0.58 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.43 -1.442 0 CA-C-N 120.144 1.338 . . . . 0.0 110.743 -165.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt . . . . . 0 CA--C 1.489 -1.385 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.92 -39.34 81.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.463 -1.398 . . . . 0.0 112.145 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -40.9 -49.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 130.124 3.37 . . . . 0.0 117.161 163.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.22 -50.32 68.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.873 2.069 . . . . 0.0 111.221 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.7 m -62.66 -48.54 78.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.208 -0.933 . . . . 0.0 111.699 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.76 -44.42 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 121.071 -1.018 . . . . 0.0 111.002 -170.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -55.81 -26.9 48.61 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -74.15 -47.97 32.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.336 -0.852 . . . . 0.0 113.155 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -42.86 -58.5 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 127.517 2.327 . . . . 0.0 115.19 162.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.97 -62.69 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 120.641 1.564 . . . . 0.0 112.565 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.4 m -40.08 -55.16 2.15 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.058 2.143 . . . . 0.0 115.994 174.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.37 -40.04 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.236 -1.54 . . . . 0.0 109.881 -168.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.96 -47.59 71.17 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.727 1.611 . . . . 0.0 113.778 169.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -57.41 -42.49 82.39 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 171.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.26 -42.1 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 125.915 1.686 . . . . 0.0 113.136 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -73.08 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 128.255 2.622 . . . . 0.0 113.131 156.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.292 20.2 pt -69.47 -34.0 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 117.137 -3.477 . . . . 0.0 119.306 -161.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -30.25 71.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 120.358 3.466 . . . . 0.0 120.358 -162.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -110.97 15.59 21.66 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.489 -2.632 . . . . 0.0 112.246 167.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.9 m -118.69 -86.1 0.65 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -173.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -176.53 104.67 0.06 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.329 -0.857 . . . . 0.0 112.071 -152.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.1 mp0 -27.98 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.402 1 N-CA-C 123.715 4.709 . . . . 0.0 123.715 155.209 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -43.24 -38.21 2.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.439 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -53.13 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.013 -1.679 . . . . 0.0 112.792 170.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 24' ' ' GLU . 3.0 p -70.46 -22.21 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.51 -6.68 49.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 116.874 -3.641 . . . . 0.0 114.643 -165.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -136.16 150.46 49.06 Favored 'General case' 0 N--CA 1.429 -1.512 1 N-CA-C 98.852 -4.499 . . . . 0.0 98.852 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.454 21.5 ptt-85 -89.33 -32.49 17.31 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 116.34 -2.144 . . . . 0.0 116.196 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -36.19 -55.13 0.8 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.745 2.418 . . . . 0.0 115.931 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.27 -49.58 66.64 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.864 2.066 . . . . 0.0 112.43 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -47.01 12.62 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.18 2.592 . . . . 0.0 112.144 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.33 -55.07 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.589 2.756 . . . . 0.0 109.88 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.63 19.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 131.532 3.933 . . . . 0.0 116.009 167.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.76 -45.67 49.78 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 121.628 2.013 . . . . 0.0 113.552 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.288 11.9 mt -61.12 -46.88 88.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 110.53 -3.032 . . . . 0.0 114.744 170.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.47 -39.86 77.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.637 1.975 . . . . 0.0 113.086 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.28 -44.36 91.93 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.539 3.135 . . . . 0.0 112.796 175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.25 -34.74 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-O 124.757 2.217 . . . . 0.0 109.392 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.55 24.36 3.46 Favored Glycine 0 N--CA 1.431 -1.683 1 C-N-CA 131.491 4.377 . . . . 0.0 114.841 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -76.41 105.66 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 121.029 2.414 . . . . 0.0 108.357 -168.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -110.61 -172.93 2.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.407 -2.058 . . . . 0.0 111.625 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -148.03 -166.7 2.6 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 104.436 -2.431 . . . . 0.0 104.436 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -44.71 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.78 -4.71 60.03 Favored Glycine 0 N--CA 1.429 -1.796 0 O-C-N 119.852 -1.78 . . . . 0.0 116.549 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -133.85 -170.69 2.56 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.257 1.423 . . . . 0.0 109.337 -167.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -89.28 -165.06 1.25 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 159.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.87 119.15 37.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -108.6 145.32 35.08 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.37 -36.72 83.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 120.571 1.532 . . . . 0.0 112.827 -172.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.42 -23.11 64.13 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 130.588 3.555 . . . . 0.0 115.685 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -70.56 21.56 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.203 2.201 . . . . 0.0 115.261 170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -79.6 -18.82 50.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.41 -2.056 . . . . 0.0 112.245 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.57 -39.33 77.41 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.714 -1.241 . . . . 0.0 108.818 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -58.85 -50.42 74.04 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.461 1.904 . . . . 0.0 111.93 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.6 mm -51.56 -56.28 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 m -84.22 -37.87 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 119.022 -2.298 . . . . 0.0 114.321 -164.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 m -72.11 -22.21 61.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.905 1.812 . . . . 0.0 111.687 -157.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.17 7.33 29.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 131.06 3.744 . . . . 0.0 113.586 -174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.2 mt -93.61 108.15 19.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.1 p -101.49 -158.36 0.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 122.742 1.258 . . . . 0.0 111.373 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -38.37 88.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.528 2.331 . . . . 0.0 115.713 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.174 2.19 . . . . 0.0 112.341 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -49.25 -71.76 0.06 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.017 2.127 . . . . 0.0 110.96 162.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -39.66 -55.33 1.9 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -170.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.87 16.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.968 -1.708 . . . . 0.0 114.914 172.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -49.55 -56.9 8.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.909 2.484 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.25 -41.63 89.21 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.582 1.658 . . . . 0.0 110.779 -173.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.42 -36.45 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.178 1.791 . . . . 0.0 112.235 -174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.33 -41.62 63.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.53 -1.981 . . . . 0.0 110.915 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.4 -43.6 14.53 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 114.44 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -114.2 40.76 2.43 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.247 -1.533 . . . . 0.0 111.842 -170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.66 -27.84 66.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.908 1.683 . . . . 0.0 113.749 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.95 -37.59 45.4 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.274 2.23 . . . . 0.0 115.304 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.48 -41.03 9.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 124.373 0.987 . . . . 0.0 111.461 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.26 -41.94 96.7 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.606 1.562 . . . . 0.0 112.972 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.94 -49.07 74.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.273 1.429 . . . . 0.0 114.224 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.02 42.74 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 119.739 -1.85 . . . . 0.0 113.981 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.29 4.4 m -58.7 -19.78 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.03 -50.14 73.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.014 -1.679 . . . . 0.0 111.711 168.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -68.86 -46.8 67.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.477 1.511 . . . . 0.0 112.704 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -36.78 82.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.083 -1.636 . . . . 0.0 113.044 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.79 -47.9 70.33 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.222 1.828 . . . . 0.0 113.664 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.48 -16.58 62.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.497 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 73.7 mtp -80.96 -67.52 0.77 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 123.252 2.751 . . . . 0.0 113.034 161.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 88' ' ' THR 0.276 7.9 p90 -60.49 -22.15 63.2 Favored 'General case' 0 N--CA 1.43 -1.438 1 N-CA-C 126.252 5.649 . . . . 0.0 126.252 -167.568 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 87' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.429 -1.49 0 C-N-CA 128.17 2.588 . . . . 0.0 112.988 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 122.166 0.984 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -58.27 -28.45 64.96 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.334 -1.479 . . . . 0.0 114.307 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.73 -49.12 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 127.314 2.246 . . . . 0.0 114.107 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -44.67 -53.26 7.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.622 3.169 . . . . 0.0 113.269 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.425 HG23 ' CE1' ' A' ' 44' ' ' HIS . 89.4 m -56.42 -56.54 19.94 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.695 1.598 . . . . 0.0 114.524 171.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.2 -51.66 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 120.588 -1.32 . . . . 0.0 113.963 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -64.65 -28.23 69.47 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 122.71 2.505 . . . . 0.0 113.013 -167.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.68 -53.92 52.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.257 1.823 . . . . 0.0 113.353 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.05 -29.7 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.298 2.239 . . . . 0.0 113.431 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -80.57 -46.24 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 108.156 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -52.98 -57.74 9.33 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.944 2.498 . . . . 0.0 113.126 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.01 -33.36 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.626 -1.296 . . . . 0.0 112.702 -171.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.06 26.83 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 123.688 0.795 . . . . 0.0 112.641 166.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -56.88 -35.28 68.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.499 1.92 . . . . 0.0 114.521 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.15 -42.28 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.361 -1.462 . . . . 0.0 112.791 172.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.9 -28.7 22.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.256 -1.528 . . . . 0.0 112.257 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.681 HD12 ' CE1' ' A' ' 83' ' ' TYR . 9.0 pt -90.59 -24.23 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.144 -2.848 . . . . 0.0 117.243 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -70.84 -92.11 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.309 -2.119 . . . . 0.0 112.799 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -94.71 74.38 3.67 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.328 2.331 . . . . 0.0 110.593 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -171.5 -87.5 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.245 1.018 . . . . 0.0 111.894 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -147.3 101.75 3.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.299 -1.501 . . . . 0.0 111.769 -162.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -86.15 -30.02 22.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.399 -2.063 . . . . 0.0 111.069 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -50.05 -28.76 7.56 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 128.041 2.536 . . . . 0.0 115.248 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.78 -40.68 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.606 1.962 . . . . 0.0 111.339 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -68.93 -21.41 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 177.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.73 -49.04 77.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.535 1.534 . . . . 0.0 114.275 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.45 96.42 7.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.074 1.75 . . . . 0.0 107.585 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -61.81 -22.83 65.8 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 -169.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.84 -15.55 56.06 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 122.54 2.427 . . . . 0.0 112.535 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -73.25 -51.91 15.94 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 53.3 t80 -51.91 -50.95 60.08 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.544 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.93 -53.33 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 124.903 1.281 . . . . 0.0 110.658 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.15 -20.26 64.02 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.817 -0.552 . . . . 0.0 111.986 -170.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -86.19 -24.16 26.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.794 1.638 . . . . 0.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -72.71 -25.39 61.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.619 -2.551 . . . . 0.0 111.42 171.087 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -76.65 -32.84 58.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.706 -1.871 . . . . 0.0 115.129 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -46.06 -42.53 13.56 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.202 2.201 . . . . 0.0 115.346 164.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.0 -30.88 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 126.783 2.033 . . . . 0.0 114.251 170.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.81 35.12 5.71 Favored Glycine 0 N--CA 1.429 -1.774 0 O-C-N 120.499 -1.375 . . . . 0.0 111.691 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.47 121.94 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -141.67 167.11 22.92 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.823 2.049 . . . . 0.0 106.698 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 7' ' ' THR 0.275 35.4 m80 -137.33 -115.61 0.16 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.552 -1.342 . . . . 0.0 113.842 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.83 61.76 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 127.59 2.356 . . . . 0.0 115.993 -167.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.02 -8.4 60.47 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 126.646 2.069 . . . . 0.0 112.663 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -135.15 173.21 11.97 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.078 1.351 . . . . 0.0 111.569 -167.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 166.91 8.23 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.647 1.979 . . . . 0.0 112.617 166.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -84.25 113.57 21.2 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.725 -1.234 . . . . 0.0 108.543 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -109.93 155.13 22.14 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.59 -28.75 59.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -166.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.59 -37.34 86.95 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.557 -1.34 . . . . 0.0 112.622 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.2 m -71.31 18.6 0.07 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -96.0 -15.29 22.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.776 -1.827 . . . . 0.0 108.462 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -50.87 -49.67 58.69 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.189 -2.194 . . . . 0.0 115.167 157.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.55 -51.88 66.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.363 2.265 . . . . 0.0 114.554 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mt -46.84 -59.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.09 1.756 . . . . 0.0 114.331 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -84.0 -16.22 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.449 -1.407 . . . . 0.0 112.951 -165.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -72.03 -36.13 69.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.328 -1.483 . . . . 0.0 109.874 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.65 -28.23 64.64 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.22 113.25 25.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.514 1.526 . . . . 0.0 114.608 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -96.27 -158.06 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.002 -1.686 . . . . 0.0 110.239 169.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.04 -21.44 61.38 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.561 2.744 . . . . 0.0 112.592 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.39 -46.96 3.49 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.196 2.998 . . . . 0.0 115.628 167.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -63.81 1.16 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.283 1.833 . . . . 0.0 113.73 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -35.31 -63.75 0.32 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 130.279 3.432 . . . . 0.0 113.692 169.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -56.68 4.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 m -63.72 -47.58 80.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 130.678 3.591 . . . . 0.0 110.671 -172.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.02 -49.42 67.79 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.09 1.356 . . . . 0.0 108.531 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.86 -51.44 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 128.169 2.587 . . . . 0.0 111.578 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.45 -46.47 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -78.04 -45.61 23.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.003 -1.061 . . . . 0.0 113.386 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.84 135.03 18.06 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.043 1.401 . . . . 0.0 113.918 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -87.65 -35.86 17.78 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.34 -1.475 . . . . 0.0 113.661 -177.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -59.36 -38.12 79.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -164.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.73 -43.84 13.86 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.586 -1.321 . . . . 0.0 112.474 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -60.75 -51.37 69.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.925 1.69 . . . . 0.0 112.222 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.9 -45.67 88.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.21 -0.931 . . . . 0.0 112.29 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.6 -52.98 27.11 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.973 1.749 . . . . 0.0 114.583 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 p -74.23 -32.58 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 118.987 1.394 . . . . 0.0 113.804 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.26 -38.48 91.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.589 -1.945 . . . . 0.0 112.288 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -60.91 -37.55 82.66 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.054 1.342 . . . . 0.0 113.433 169.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.681 ' CE1' HD12 ' A' ' 19' ' ' ILE . 23.1 t80 -61.69 -49.64 75.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.663 -1.273 . . . . 0.0 111.968 168.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.14 -46.61 68.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.176 -1.577 . . . . 0.0 115.03 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.59 -30.58 64.51 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.614 -1.304 . . . . 0.0 113.579 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.5 mtt -85.94 -41.18 15.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.868 -1.77 . . . . 0.0 113.239 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -101.68 -74.51 0.62 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 111.847 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.43 -1.447 0 CA-C-N 120.83 1.65 . . . . 0.0 110.786 -173.012 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tptt . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 121.325 0.583 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -49.94 -29.01 7.57 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.275 -2.141 . . . . 0.0 114.453 164.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.6 -44.46 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 126.852 2.061 . . . . 0.0 111.991 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -51.28 -53.62 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 130.304 3.442 . . . . 0.0 112.511 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.9 m -53.7 -52.0 61.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 124.342 1.057 . . . . 0.0 112.861 172.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.7 t -66.39 -47.82 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -57.8 -37.59 74.03 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-O 123.329 1.538 . . . . 0.0 112.319 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.7 -50.24 63.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.534 2.334 . . . . 0.0 111.464 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.23 -54.28 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 119.968 1.258 . . . . 0.0 112.347 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.86 -39.38 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -63.81 -46.23 86.06 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.838 -1.789 . . . . 0.0 112.759 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.87 -29.89 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 121.421 -0.799 . . . . 0.0 111.495 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.49 45.92 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.992 -1.068 . . . . 0.0 113.425 168.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -51.34 -34.59 34.48 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.644 2.378 . . . . 0.0 115.286 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.77 -55.62 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.59 1.556 . . . . 0.0 110.756 171.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 22' ' ' SER . 0.2 OUTLIER -77.84 -29.03 50.3 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.74 -1.225 . . . . 0.0 112.829 -173.419 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 20.8 pt -77.62 -27.11 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 118.563 -2.586 . . . . 0.0 115.351 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -79.25 0.17 Allowed 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.309 -1.494 . . . . 0.0 109.411 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -53.08 20.74 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 135.158 5.383 . . . . 0.0 119.003 165.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.4 t -168.63 -68.95 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 122.179 2.263 . . . . 0.0 114.643 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -147.82 100.18 3.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.306 -1.496 . . . . 0.0 112.412 -160.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.2 -37.2 22.14 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.347 -1.471 . . . . 0.0 110.384 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -53.7 -13.78 0.76 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.88 -41.93 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.321 2.248 . . . . 0.0 112.233 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.54 -30.71 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.191 -2.193 . . . . 0.0 112.708 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.62 -39.81 0.36 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.259 3.024 . . . . 0.0 115.45 164.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -127.22 94.33 3.98 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.623 -3.103 . . . . 0.0 102.623 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -30.3 71.46 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.262 -2.149 . . . . 0.0 116.235 -151.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.86 -16.59 61.59 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.245 -2.159 . . . . 0.0 113.008 -171.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -69.02 -49.33 58.65 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 128.67 2.788 . . . . 0.0 110.795 172.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -58.23 -49.64 76.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.784 1.754 . . . . 0.0 111.884 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.07 -43.34 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.987 2.115 . . . . 0.0 111.017 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.22 70.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.256 1.979 . . . . 0.0 111.418 -172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -86.01 -33.54 21.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.29 2.636 . . . . 0.0 111.775 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.11 -42.68 91.1 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 118.677 -2.514 . . . . 0.0 112.592 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.422 ' OD1' ' HB3' ' A' ' 48' ' ' LYS . 19.5 m-80 -51.96 -55.41 20.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.487 -1.383 . . . . 0.0 114.466 176.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -34.04 -46.43 0.24 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 127.105 2.162 . . . . 0.0 116.822 167.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mt -56.3 -38.48 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.98 1.712 . . . . 0.0 113.125 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.11 46.24 0.83 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 124.934 1.254 . . . . 0.0 111.449 -168.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.12 116.29 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 109.178 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.2 p -126.5 151.15 48.2 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 127.685 2.394 . . . . 0.0 108.403 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -114.17 -118.86 0.31 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.251 -0.905 . . . . 0.0 109.429 174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -76.16 85.53 3.0 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.473 -0.767 . . . . 0.0 112.203 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.56 -26.05 0.28 Allowed Glycine 0 N--CA 1.429 -1.768 0 O-C-N 116.798 -3.689 . . . . 0.0 121.629 -171.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -125.5 -165.07 1.36 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -167.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . 42.3 mmtm -92.42 -154.3 0.38 Allowed 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 123.388 2.813 . . . . 0.0 105.646 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.1 tp -98.72 128.14 44.87 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 123.475 2.852 . . . . 0.0 109.284 160.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -91.07 169.64 10.7 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.505 -1.372 . . . . 0.0 110.513 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -71.29 -42.28 68.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.287 -1.508 . . . . 0.0 109.676 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -49.7 -37.52 29.36 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.829 2.052 . . . . 0.0 116.075 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -68.43 -0.64 5.18 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -168.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.67 -18.45 64.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.394 -1.441 . . . . 0.0 114.005 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -56.32 -54.45 45.35 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.367 -2.083 . . . . 0.0 113.834 160.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -57.33 -44.27 84.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.498 2.319 . . . . 0.0 115.657 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -47.58 -68.4 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 127.134 2.174 . . . . 0.0 114.169 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.63 -25.03 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.332 1.053 . . . . 0.0 113.547 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.5 m -65.84 -49.86 66.68 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.535 -1.353 . . . . 0.0 111.403 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -47.54 85.94 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.76 130.09 44.87 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.389 2.276 . . . . 0.0 114.732 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -108.15 -169.49 1.52 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.49 -1.382 . . . . 0.0 111.483 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -80.02 -26.93 39.6 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.4 -1.437 . . . . 0.0 111.787 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.28 -51.2 65.35 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.29 1.836 . . . . 0.0 113.237 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -53.54 -60.96 2.64 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 128.521 2.728 . . . . 0.0 114.336 172.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -32.99 -56.28 0.38 Allowed 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 165.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.209 -1.557 . . . . 0.0 113.043 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -60.76 -33.07 72.39 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.948 -1.72 . . . . 0.0 113.626 163.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.6 tp -78.01 -37.65 46.59 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.529 -2.607 . . . . 0.0 110.432 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.84 -40.76 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 124.972 1.309 . . . . 0.0 109.83 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.23 -45.56 92.81 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 171.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -69.38 -47.72 63.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.174 -1.579 . . . . 0.0 114.037 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -145.99 96.79 2.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.143 0.973 . . . . 0.0 112.157 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.2 -31.93 71.69 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.083 1.353 . . . . 0.0 113.394 169.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.85 -49.42 49.22 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 129.191 2.997 . . . . 0.0 116.001 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.35 -31.51 63.42 Favored Glycine 0 N--CA 1.43 -1.721 0 O-C-N 121.335 -0.853 . . . . 0.0 112.972 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -71.33 -50.53 31.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.103 1.361 . . . . 0.0 112.004 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.02 -46.2 71.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.663 1.185 . . . . 0.0 112.601 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.23 -52.13 13.62 Favored Glycine 0 N--CA 1.43 -1.709 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 167.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.22 -23.95 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.866 -1.373 . . . . 0.0 113.437 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.26 -45.71 92.06 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.873 1.669 . . . . 0.0 112.347 170.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -69.7 -26.09 64.19 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.973 -1.704 . . . . 0.0 114.057 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 15.1 t80 -68.48 -49.24 61.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.564 -1.335 . . . . 0.0 110.377 166.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp -50.23 -57.3 8.1 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 127.705 2.402 . . . . 0.0 115.126 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -34.5 -72.96 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.092 2.557 . . . . 0.0 116.417 154.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.7 mmt -82.71 -29.32 29.93 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 123.864 3.029 . . . . 0.0 114.483 -165.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.32 -73.26 0.57 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.929 -1.107 . . . . 0.0 112.423 -173.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.446 0 C-N-CA 118.21 -1.396 . . . . 0.0 108.088 -155.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt . . . . . 0 N--CA 1.431 -1.416 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.98 -41.47 35.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 117.897 -3.002 . . . . 0.0 108.562 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 65' ' ' ASP . 12.4 mt -53.6 -27.76 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 128.202 2.601 . . . . 0.0 115.601 166.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HA ' HH11 ' A' ' 9' ' ' ARG . 19.6 t70 -56.16 -56.92 15.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.033 -1.667 . . . . 0.0 113.848 161.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -65.05 -50.21 67.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.114 -0.991 . . . . 0.0 113.256 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.91 -50.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.201 2.2 . . . . 0.0 115.401 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 12' ' ' ILE . 7.3 ptt-85 -82.29 -9.29 59.53 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 112.745 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.8 -38.25 67.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.314 -1.491 . . . . 0.0 111.265 162.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.34 -60.02 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.041 1.336 . . . . 0.0 112.015 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 9' ' ' ARG 0.275 0.0 OUTLIER -66.65 -32.11 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.85 -1.781 . . . . 0.0 115.16 -175.051 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -71.29 -43.89 66.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.083 -2.26 . . . . 0.0 111.04 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.7 -32.99 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 121.174 -0.954 . . . . 0.0 110.236 -172.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.66 82.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.46 -1.4 . . . . 0.0 112.893 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -54.22 -36.77 63.86 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -65.86 -55.53 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.511 -1.993 . . . . 0.0 113.089 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -39.21 -57.36 1.35 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.304 2.242 . . . . 0.0 115.282 161.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.26 16.4 pt -76.53 -41.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 117.908 -2.995 . . . . 0.0 114.93 -175.755 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -75.18 -33.87 61.48 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 116.976 -1.488 . . . . 0.0 113.776 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -110.85 13.86 22.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 122.035 2.198 . . . . 0.0 113.942 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -138.95 -80.95 0.31 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -150.03 112.86 4.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.382 -1.449 . . . . 0.0 114.751 -164.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.03 -47.95 81.54 Favored 'General case' 0 N--CA 1.43 -1.43 1 C-N-CA 131.712 4.005 . . . . 0.0 119.607 153.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -30.85 -44.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 167.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.21 -52.63 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 119.392 -2.067 . . . . 0.0 112.257 171.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -9.94 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.733 2.813 . . . . 0.0 118.179 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.65 -56.78 11.67 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 118.157 -2.839 . . . . 0.0 111.016 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -96.56 152.18 18.88 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.531 1.634 . . . . 0.0 107.415 170.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 mtm-85 -90.56 -31.2 16.81 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.419 -1.425 . . . . 0.0 111.307 -166.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.32 -12.76 15.04 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.924 2.089 . . . . 0.0 115.569 168.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.81 -51.55 5.03 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -43.29 -40.65 3.62 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 169.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -42.11 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 129.879 3.272 . . . . 0.0 112.761 -174.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.65 -53.57 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 117.44 -3.287 . . . . 0.0 116.098 158.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -61.44 -24.47 66.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.12 -26.79 48.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.917 1.287 . . . . 0.0 113.101 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.37 -32.18 73.41 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.588 -1.945 . . . . 0.0 113.593 171.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.06 -53.44 58.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.442 1.897 . . . . 0.0 115.895 171.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mt -46.69 -39.22 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.899 1.68 . . . . 0.0 112.109 164.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.86 43.39 7.7 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 124.451 1.024 . . . . 0.0 110.937 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -87.27 98.96 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p -103.06 -170.47 1.8 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.035 1.334 . . . . 0.0 107.821 -165.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.558 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 14.1 p80 -160.09 -115.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 36.0 tt0 -83.34 77.5 9.78 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.958 -1.714 . . . . 0.0 110.577 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.47 -12.84 19.04 Favored Glycine 0 N--CA 1.431 -1.662 0 O-C-N 117.254 -3.404 . . . . 0.0 118.575 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -129.22 -168.73 1.98 Allowed 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.214 -1.168 . . . . 0.0 112.36 -165.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -98.4 -175.12 3.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.063 2.145 . . . . 0.0 110.606 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.68 122.97 42.58 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.541 1.936 . . . . 0.0 106.892 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -109.67 168.35 9.47 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.88 -1.763 . . . . 0.0 108.655 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -77.14 -26.58 53.3 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 124.489 2.09 . . . . 0.0 111.174 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.67 -5.36 59.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.531 2.732 . . . . 0.0 114.689 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 p -79.3 18.27 0.71 Allowed 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.81 -1.806 . . . . 0.0 115.51 -166.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -64.36 -52.0 60.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.144 2.178 . . . . 0.0 113.941 -167.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -47.2 -37.3 10.05 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.19 -20.99 43.47 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.416 -1.428 . . . . 0.0 111.296 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.92 -56.18 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-O 117.815 -1.088 . . . . 0.0 112.129 167.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.39 -17.48 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 125.263 3.665 . . . . 0.0 115.296 -157.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.2 t -86.43 -17.29 34.69 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.185 -1.572 . . . . 0.0 111.257 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -76.43 -10.62 59.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.742 1.217 . . . . 0.0 113.628 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -107.56 138.08 44.43 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 127.091 2.157 . . . . 0.0 108.241 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -97.84 -157.25 0.58 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.125 -1.609 . . . . 0.0 108.509 173.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.16 -20.3 52.56 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.283 -2.136 . . . . 0.0 116.598 170.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.18 -27.85 66.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.42 -1.425 . . . . 0.0 111.585 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' HD11 ' A' ' 5' ' ' ILE . 1.5 p-10 -57.72 -52.77 64.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.891 1.276 . . . . 0.0 112.254 175.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -48.0 -51.29 24.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.448 3.099 . . . . 0.0 114.132 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -50.12 46.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.119 -2.238 . . . . 0.0 115.022 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -39.13 -64.12 0.48 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.419 2.688 . . . . 0.0 115.334 165.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -38.0 -49.77 1.29 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 169.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.97 -28.08 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 125.225 1.41 . . . . 0.0 110.641 -169.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.92 -36.49 41.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.237 1.415 . . . . 0.0 110.062 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -90.73 -46.27 8.35 Favored 'General case' 0 N--CA 1.428 -1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 113.371 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -136.46 73.33 1.45 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.315 -1.49 . . . . 0.0 111.544 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.87 -33.56 72.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.33 1.452 . . . . 0.0 110.951 172.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.49 -37.45 57.28 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.135 2.174 . . . . 0.0 115.017 175.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.94 -47.37 66.28 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.52 1.057 . . . . 0.0 114.037 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.95 -51.1 70.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.299 1.44 . . . . 0.0 111.304 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.27 -46.73 72.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.868 2.067 . . . . 0.0 114.571 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -60.76 7.3 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 125.37 1.462 . . . . 0.0 113.134 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -53.96 -43.29 69.76 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.033 1.742 . . . . 0.0 113.358 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -59.83 -44.68 93.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.044 0.938 . . . . 0.0 113.264 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 19' ' ' ILE . 2.4 t80 -64.56 -39.0 92.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.846 -1.158 . . . . 0.0 113.916 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.56 -52.37 65.45 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.178 1.391 . . . . 0.0 112.651 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.07 -28.75 61.54 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.624 -1.297 . . . . 0.0 112.504 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.63 -67.74 0.35 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 166.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.15 -69.53 0.75 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.952 -1.092 . . . . 0.0 112.017 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.43 -1.453 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.93 -144.328 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.5 tptm . . . . . 0 N--CA 1.43 -1.445 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.409 ' HB3' HD21 ' A' ' 61' ' ' LEU . 83.7 m-20 -47.53 -8.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.695 3.22 . . . . 0.0 119.695 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.5 mt -94.04 -55.78 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 1 C-N-CA 133.201 4.6 . . . . 0.0 107.841 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.31 -25.63 66.93 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.446 2.299 . . . . 0.0 108.271 170.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -61.3 -74.78 0.08 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.015 -2.928 . . . . 0.0 114.262 156.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.617 ' HA ' HG12 ' A' ' 11' ' ' ILE . 78.4 t -52.94 -36.31 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -174.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.297 0.1 OUTLIER -74.45 -37.68 63.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.034 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -41.5 -69.12 0.14 Allowed 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 115.854 -2.022 . . . . 0.0 114.086 147.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' VAL . 14.1 mm -37.5 -71.42 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 123.315 2.78 . . . . 0.0 117.283 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' H ' ' HB ' ' A' ' 11' ' ' ILE . 80.2 mt -37.27 -43.46 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 130.81 3.644 . . . . 0.0 115.052 170.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 m -70.41 -57.2 5.07 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.116 -1.615 . . . . 0.0 111.935 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.86 -52.9 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 O-C-N 120.39 -1.443 . . . . 0.0 114.19 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.4 -49.15 13.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.685 3.217 . . . . 0.0 119.685 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -89.84 -25.56 20.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.28 -0.887 . . . . 0.0 109.232 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.18 -31.69 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 121.538 -0.726 . . . . 0.0 109.769 169.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -51.68 17.38 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.939 -1.725 . . . . 0.0 112.46 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.6 pt -70.68 -32.79 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -34.81 -67.39 0.14 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.635 2.374 . . . . 0.0 116.725 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -117.72 79.83 1.42 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.845 -1.784 . . . . 0.0 109.288 164.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -148.47 -95.64 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.419 -2.675 . . . . 0.0 105.846 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -126.25 140.51 52.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.631 -1.918 . . . . 0.0 111.304 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -84.44 -16.94 40.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.5 2.572 . . . . 0.0 109.884 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.88 -43.34 73.07 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.17 2.988 . . . . 0.0 111.923 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -19.12 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 172.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.303 1.0 OUTLIER -93.83 -35.7 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 120.605 1.548 . . . . 0.0 114.56 169.507 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -45.35 -46.63 13.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -101.46 143.68 31.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -81.42 -45.3 16.27 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 127.172 2.189 . . . . 0.0 112.707 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.64 -40.69 2.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.226 3.011 . . . . 0.0 115.29 175.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -79.69 -33.23 41.25 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.913 2.485 . . . . 0.0 111.212 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.28 -49.17 62.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 124.236 1.969 . . . . 0.0 108.841 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.49 -43.9 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.167 173.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.76 62.44 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.85 -14.78 25.72 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.513 -2.617 . . . . 0.0 115.435 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.55 -52.15 66.81 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 152.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -39.42 -41.81 1.0 Allowed 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 128.389 2.676 . . . . 0.0 117.569 160.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.79 -55.44 32.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 166.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -37.16 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.036 1.734 . . . . 0.0 113.602 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.62 24.71 7.65 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 121.282 -0.886 . . . . 0.0 112.721 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 m -59.33 125.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.951 -1.323 . . . . 0.0 113.956 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.1 p -126.01 160.02 31.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 122.969 1.366 . . . . 0.0 110.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -123.4 -138.67 0.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 166.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.34 112.25 5.09 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.555 -1.966 . . . . 0.0 111.827 178.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.72 1.05 0.07 OUTLIER Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 120.664 3.025 . . . . 0.0 120.664 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -141.22 168.3 20.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.548 2.674 . . . . 0.0 108.646 -169.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -43.81 157.51 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.539 1.935 . . . . 0.0 115.921 156.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -81.27 146.65 30.32 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.67 2.486 . . . . 0.0 110.098 166.686 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.437 ' H ' HD13 ' A' ' 49' ' ' LEU . 4.4 t-20 -114.16 175.36 5.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.861 1.264 . . . . 0.0 109.113 -164.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.44 -4.14 29.5 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 165.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -107.31 -7.16 16.81 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.998 1.726 . . . . 0.0 112.342 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.7 p -78.46 23.84 0.29 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.899 2.079 . . . . 0.0 115.628 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -74.15 -24.84 59.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.984 -2.322 . . . . 0.0 112.401 -165.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -58.01 -52.66 64.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.116 2.566 . . . . 0.0 114.294 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -48.17 -32.24 6.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.862 2.865 . . . . 0.0 118.519 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.44 -69.08 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.028 1.731 . . . . 0.0 114.689 159.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.288 3.3 p -99.91 -8.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -155.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.9 p -60.24 -53.2 60.55 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.438 -3.289 . . . . 0.0 113.136 165.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -51.64 -15.7 0.51 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 4' ' ' ASN . 92.7 mt -94.76 127.37 40.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 123.521 1.629 . . . . 0.0 112.122 -170.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -116.85 -171.53 2.04 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.736 1.731 . . . . 0.0 113.151 -166.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -51.97 -46.94 65.0 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.333 2.253 . . . . 0.0 112.586 168.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -49.49 -42.3 43.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 128.158 2.583 . . . . 0.0 115.798 172.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -56.24 15.29 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.438 1.495 . . . . 0.0 110.036 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -51.49 -53.91 32.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 128.166 3.841 . . . . 0.0 112.689 -158.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -89.06 -25.8 21.74 Favored 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 108.388 -4.005 . . . . 0.0 110.75 -169.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.73 -35.76 79.34 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.905 -1.747 . . . . 0.0 112.32 173.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.47 -52.29 16.44 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.874 2.069 . . . . 0.0 111.949 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.5 mm -79.1 -6.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 1 C-N-CA 134.445 5.098 . . . . 0.0 108.772 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.12 -59.98 2.56 Favored 'General case' 0 N--CA 1.429 -1.487 1 O-C-N 115.332 -4.605 . . . . 0.0 112.865 148.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -76.52 -46.91 24.55 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -162.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.02 111.53 16.7 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.224 -1.548 . . . . 0.0 111.025 -172.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.46 -51.85 4.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.456 -1.403 . . . . 0.0 111.396 -170.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.79 -22.54 53.54 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -159.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.06 -34.58 37.21 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.01 -1.681 . . . . 0.0 113.081 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -69.61 -41.95 75.02 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.235 -1.156 . . . . 0.0 110.811 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -48.85 -51.92 27.03 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.948 2.099 . . . . 0.0 113.227 169.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.91 -59.09 4.58 Favored Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 126.812 2.149 . . . . 0.0 117.047 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.38 -38.79 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 121.268 -1.136 . . . . 0.0 113.158 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.59 -50.54 72.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.377 -1.452 . . . . 0.0 113.761 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -70.77 -34.53 71.91 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.471 -1.393 . . . . 0.0 113.189 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.47 81.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.44 -1.412 . . . . 0.0 111.212 172.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.5 tp -61.78 -35.92 79.56 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.634 -2.541 . . . . 0.0 114.561 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.16 -43.66 97.67 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.51 -1.369 . . . . 0.0 113.42 173.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.28 -71.55 0.11 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.464 2.705 . . . . 0.0 117.38 163.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.394 23.7 p90 -79.41 -72.03 0.41 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 125.51 3.777 . . . . 0.0 113.148 -158.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.466 0 CA-C-O 124.073 1.892 . . . . 0.0 108.492 -167.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -56.58 -31.37 64.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.033 1.333 . . . . 0.0 114.418 167.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -63.5 -50.14 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.104 2.561 . . . . 0.0 112.447 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -32.07 73.36 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 127.323 2.249 . . . . 0.0 112.772 171.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -57.22 -58.59 7.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.55 -3.219 . . . . 0.0 113.914 161.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.88 -43.55 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -62.59 -38.89 91.88 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.767 -1.833 . . . . 0.0 114.009 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -48.59 -59.53 3.44 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 159.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.18 -54.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 126.561 1.944 . . . . 0.0 113.595 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt -66.55 -39.79 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 -175.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -66.93 -51.92 49.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.348 -1.47 . . . . 0.0 112.512 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -51.55 -50.42 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.526 1.53 . . . . 0.0 114.585 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.62 10.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.61 1.564 . . . . 0.0 115.199 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.65 -44.6 69.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.756 2.422 . . . . 0.0 112.184 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.9 -34.27 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.355 -1.466 . . . . 0.0 111.938 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.97 -43.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.115 -1.615 . . . . 0.0 110.457 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.276 11.7 pt -75.29 -27.44 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 114.998 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -71.4 -63.78 1.05 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 122.948 2.613 . . . . 0.0 109.164 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -101.39 17.96 21.3 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -138.57 -75.09 0.38 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.222 -2.174 . . . . 0.0 113.786 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -147.96 104.77 3.6 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.474 1.488 . . . . 0.0 112.721 -161.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -84.98 -8.25 58.81 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.467 -2.021 . . . . 0.0 111.573 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.79 -4.02 5.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.954 2.502 . . . . 0.0 114.011 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -98.26 -19.52 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.903 -2.373 . . . . 0.0 110.244 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.79 -23.45 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 O-C-N 119.348 -2.095 . . . . 0.0 113.178 -171.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -46.91 -43.6 19.05 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 128.193 2.597 . . . . 0.0 117.383 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -120.69 100.49 7.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -67.99 -16.24 63.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -155.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.7 62.12 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.127 -2.233 . . . . 0.0 114.718 169.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -72.33 -35.31 68.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.526 -1.359 . . . . 0.0 112.79 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . 0.28 0.0 OUTLIER -68.86 -50.36 50.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.315 . . . . 0.0 110.987 179.553 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.0 mt -50.53 -48.49 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 129.154 2.982 . . . . 0.0 112.274 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.42 -31.31 53.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.833 -1.792 . . . . 0.0 108.047 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.489 -1.38 0 O-C-N 118.895 -2.378 . . . . 0.0 114.997 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.05 -31.2 64.27 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.939 -2.35 . . . . 0.0 111.141 166.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.23 -47.28 75.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.86 -37.8 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.082 -1.636 . . . . 0.0 112.107 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.2 41.69 5.15 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 124.144 0.878 . . . . 0.0 111.226 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.59 136.38 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.196 0.999 . . . . 0.0 108.796 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -114.22 173.76 6.28 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.429 -2.045 . . . . 0.0 109.613 -159.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.578 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 7.9 p80 -157.03 -119.24 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 174.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.578 ' H ' ' CG ' ' A' ' 44' ' ' HIS 0.253 27.1 tt0 -84.81 86.69 7.32 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.899 -2.376 . . . . 0.0 107.938 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.85 5.12 8.39 Favored Glycine 0 N--CA 1.43 -1.718 0 N-CA-C 119.099 2.4 . . . . 0.0 119.099 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -140.38 173.86 11.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 126.823 2.049 . . . . 0.0 108.53 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 175.57 6.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.106 2.23 . . . . 0.0 109.396 167.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 tp -93.75 124.12 37.53 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.129 -2.232 . . . . 0.0 113.711 -146.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -105.43 157.52 17.29 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.774 1.63 . . . . 0.0 112.798 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -95.6 -25.95 15.96 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 -163.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -78.26 -20.04 52.46 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.244 -2.16 . . . . 0.0 111.158 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -72.01 9.37 0.96 Allowed 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.58 -14.32 62.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.451 -2.03 . . . . 0.0 111.843 160.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -60.54 -46.63 89.48 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.27 -1.519 . . . . 0.0 111.399 164.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -56.74 -31.91 65.04 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.57 -59.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 CA-C-O 124.151 1.929 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.36 -11.39 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.293 2.237 . . . . 0.0 112.841 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -50.7 -37.11 39.44 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.163 -2.211 . . . . 0.0 116.519 153.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.51 -36.21 10.39 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.959 1.303 . . . . 0.0 112.461 -166.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.92 109.81 18.41 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.046 0.927 . . . . 0.0 111.125 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.434 ' HB ' ' H ' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -107.61 -157.38 0.61 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.557 2.343 . . . . 0.0 107.146 174.112 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' H ' ' HB ' ' A' ' 62' ' ' THR . 78.7 mt-30 -65.25 -21.82 66.78 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.704 -2.498 . . . . 0.0 114.71 -174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -50.47 -39.1 47.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -46.84 70.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.243 2.217 . . . . 0.0 110.899 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -50.37 -57.43 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.956 1.702 . . . . 0.0 112.639 173.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -56.72 -47.77 79.24 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.1 m -67.68 -43.61 79.77 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 129.849 3.26 . . . . 0.0 112.7 -168.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.28 -24.28 20.95 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.544 1.538 . . . . 0.0 109.149 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.65 -52.37 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 122.213 2.279 . . . . 0.0 111.156 166.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -40.47 -57.55 1.78 Allowed 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.062 2.145 . . . . 0.0 115.976 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.71 -44.97 9.14 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -133.4 65.41 1.59 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 119.512 1.051 . . . . 0.0 111.808 -168.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.27 -34.94 79.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.28 -1.512 . . . . 0.0 111.955 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -49.51 -36.52 23.43 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.752 2.821 . . . . 0.0 115.019 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.87 -53.87 34.7 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 125.004 1.288 . . . . 0.0 113.278 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -62.41 -45.99 90.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.175 1.39 . . . . 0.0 112.497 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.93 -48.45 80.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.01 1.724 . . . . 0.0 114.663 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.2 68.35 Favored Glycine 0 N--CA 1.429 -1.791 0 O-C-N 120.011 -1.681 . . . . 0.0 114.207 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.418 3.5 p -60.62 -41.05 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 114.971 -0.614 . . . . 0.0 112.243 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.09 -46.88 85.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.982 1.313 . . . . 0.0 113.857 170.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 ttm180 -59.66 -39.83 85.7 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.677 -1.889 . . . . 0.0 114.264 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.9 t80 -66.3 -50.45 63.6 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.892 1.677 . . . . 0.0 110.718 173.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.36 -43.08 74.73 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.161 2.185 . . . . 0.0 114.836 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.46 -48.46 80.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.389 1.475 . . . . 0.0 113.545 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -70.6 -62.7 1.29 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.863 1.665 . . . . 0.0 114.728 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -78.03 -69.92 0.52 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.138 1.375 . . . . 0.0 112.712 -165.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.435 0 C-N-CA 117.884 -1.526 . . . . 0.0 110.262 -149.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 tptp . . . . . 0 N--CA 1.429 -1.493 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.51 -6.94 33.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.986 -1.697 . . . . 0.0 114.636 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.46 -64.14 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 127.86 2.464 . . . . 0.0 114.026 155.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -39.71 -57.78 1.46 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 130.007 3.323 . . . . 0.0 113.679 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 m -54.79 -65.63 0.54 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.481 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.75 -40.34 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.993 -1.692 . . . . 0.0 111.185 -167.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.416 1.086 . . . . 0.0 113.479 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.54 -43.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 168.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.92 -48.92 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.019 1.327 . . . . 0.0 111.204 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.9 mt -49.18 -54.19 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 127.746 2.418 . . . . 0.0 111.98 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 m -51.23 -70.01 0.1 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.909 2.084 . . . . 0.0 115.379 170.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.29 -29.08 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -54.34 32.75 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.315 -1.491 . . . . 0.0 113.651 165.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -54.47 -50.23 68.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.38 -28.6 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.554 1.141 . . . . 0.0 112.534 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 26' ' ' ILE . 2.9 tm? -65.12 -59.88 3.63 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.743 -1.848 . . . . 0.0 113.928 164.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -76.9 -32.3 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -167.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -44.58 -65.33 0.53 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -116.93 72.77 0.84 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.652 -1.28 . . . . 0.0 111.682 173.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -170.26 -98.54 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -121.59 130.58 53.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.551 1.941 . . . . 0.0 111.025 -176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -90.23 -14.91 32.42 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.158 1.783 . . . . 0.0 110.756 164.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.54 -25.96 67.67 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 113.074 -163.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.29 -49.48 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 128.077 2.551 . . . . 0.0 111.161 -175.589 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -61.66 -33.84 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.525 -1.359 . . . . 0.0 114.558 166.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.91 -49.45 77.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.474 1.488 . . . . 0.0 114.408 165.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -98.14 83.46 3.1 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.643 -1.911 . . . . 0.0 107.748 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -28.29 -44.21 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 131.417 3.887 . . . . 0.0 119.237 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.04 62.54 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.827 -1.171 . . . . 0.0 113.003 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -87.72 -17.53 31.52 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.704 1.202 . . . . 0.0 109.813 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.72 -67.49 0.26 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.477 -2.64 . . . . 0.0 114.13 156.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -34.52 -53.01 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 126.17 2.89 . . . . 0.0 115.578 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.252 . . -81.99 -11.52 58.8 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 111.146 -2.752 . . . . 0.0 116.666 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.17 -48.54 73.1 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.048 -2.282 . . . . 0.0 110.756 156.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.42 ' HA ' HG13 ' A' ' 40' ' ' ILE . 26.7 mt -53.94 -25.11 18.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 175.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -68.14 -46.2 71.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.539 1.936 . . . . 0.0 113.613 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -54.2 -58.21 8.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.197 2.199 . . . . 0.0 114.33 157.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 37' ' ' LEU . 2.6 mt -51.4 -26.62 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 1 O-C-N 116.159 -4.088 . . . . 0.0 119.061 -170.225 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.06 1.95 28.33 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.891 -2.381 . . . . 0.0 115.791 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.18 117.55 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 C-N-CA 125.69 1.596 . . . . 0.0 113.135 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -124.43 141.83 51.78 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.644 -1.285 . . . . 0.0 110.9 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -115.62 -137.53 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.536 -1.353 . . . . 0.0 110.131 171.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -45.09 77.64 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 148.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.66 -26.23 2.76 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 127.475 2.464 . . . . 0.0 115.82 162.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -125.72 172.43 9.81 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.593 1.557 . . . . 0.0 107.835 -167.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -74.81 165.41 25.29 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.718 1.607 . . . . 0.0 110.482 172.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.83 127.4 34.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.74 1.216 . . . . 0.0 112.205 -161.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.04 -175.17 4.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.705 -1.872 . . . . 0.0 111.184 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.82 -46.42 8.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.319 -1.488 . . . . 0.0 109.895 173.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.12 -7.41 35.88 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.079 2.252 . . . . 0.0 117.079 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -76.6 -4.74 44.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.011 -1.681 . . . . 0.0 115.285 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . 0.257 1.4 p90 -21.67 -53.09 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 119.239 3.052 . . . . 0.0 119.239 154.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -53.9 -41.73 67.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.833 1.778 . . . . 0.0 115.415 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -69.69 -51.97 29.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.405 1.082 . . . . 0.0 111.681 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.2 -39.96 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.784 0.802 . . . . 0.0 110.125 -168.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 m -74.71 -19.02 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.968 2.107 . . . . 0.0 113.784 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.9 m -65.84 -51.88 55.21 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.506 -1.371 . . . . 0.0 111.597 164.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.27 -45.22 73.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.2 mt -52.17 95.82 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 118.987 -2.321 . . . . 0.0 117.182 153.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -168.7 1.45 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.642 2.777 . . . . 0.0 108.593 159.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -74.38 -32.11 62.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.104 -2.247 . . . . 0.0 113.927 -151.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.4 -54.88 6.69 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.216 2.606 . . . . 0.0 112.854 165.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.35 -46.05 61.42 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.86 2.464 . . . . 0.0 112.597 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -56.46 -53.44 57.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.879 1.672 . . . . 0.0 111.993 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -66.74 -26.91 67.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.072 -1.017 . . . . 0.0 112.102 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.5 m -72.63 -37.86 67.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.448 1.499 . . . . 0.0 112.183 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -57.2 6.47 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 126.736 2.014 . . . . 0.0 114.053 169.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 70' ' ' ILE . 55.2 mt -52.28 -48.15 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 130.725 3.61 . . . . 0.0 113.997 165.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.25 -50.17 75.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.173 -2.204 . . . . 0.0 113.119 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -85.18 -46.32 11.19 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -136.01 62.64 1.61 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.37 -1.456 . . . . 0.0 113.136 -166.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -67.01 -27.78 67.71 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.348 -1.47 . . . . 0.0 114.427 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.66 -40.63 79.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.172 -1.58 . . . . 0.0 113.064 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.03 12.43 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 120.292 -1.505 . . . . 0.0 112.662 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -57.26 -56.67 18.83 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.91 1.684 . . . . 0.0 114.456 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -75.94 -20.39 57.99 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.134 -1.604 . . . . 0.0 112.372 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.45 -46.21 56.84 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.701 -1.249 . . . . 0.0 112.413 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 29.1 m -67.43 -39.0 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.209 175.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -58.03 -52.48 65.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.241 1.816 . . . . 0.0 113.64 174.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -63.37 -41.64 98.82 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 119.85 -1.781 . . . . 0.0 113.115 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -46.06 87.72 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.752 -1.218 . . . . 0.0 111.232 171.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.14 -40.9 47.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.23 -2.169 . . . . 0.0 115.566 173.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.46 -21.44 60.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.277 -1.514 . . . . 0.0 110.163 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 tpt -91.18 -40.85 11.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.329 1.852 . . . . 0.0 115.29 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.308 14.8 p90 -94.21 -76.11 0.49 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 121.715 2.052 . . . . 0.0 109.396 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.43 -1.467 0 CA-C-N 123.263 2.756 . . . . 0.0 109.443 -176.326 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 tttt . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -90.17 -27.55 19.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.938 -1.101 . . . . 0.0 108.35 159.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.9 -55.5 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.616 1.567 . . . . 0.0 110.418 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -40.44 -59.97 1.21 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 160.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.0 m -56.18 -36.69 68.64 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -88.18 -36.04 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 119.753 -1.842 . . . . 0.0 109.554 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -75.67 -9.15 58.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.174 -2.204 . . . . 0.0 113.073 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.57 -57.51 8.93 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 121.959 2.163 . . . . 0.0 108.559 162.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.59 -49.32 6.42 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 CA-C-O 124.065 1.888 . . . . 0.0 114.862 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.38 -52.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.432 1.893 . . . . 0.0 110.806 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -61.02 -50.82 71.81 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.1 -1.625 . . . . 0.0 111.985 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.48 -9.92 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 119.805 -1.809 . . . . 0.0 112.577 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.09 -36.08 35.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.845 -1.159 . . . . 0.0 110.744 168.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -73.08 -46.57 50.76 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.463 1.905 . . . . 0.0 110.03 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.44 -36.16 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.176 1.391 . . . . 0.0 111.907 172.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.58 -62.57 1.72 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.627 -1.295 . . . . 0.0 114.269 170.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.265 12.0 pt -77.37 -36.94 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -162.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -49.42 -62.58 1.47 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.879 1.799 . . . . 0.0 114.309 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -113.03 72.96 0.79 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.386 3.474 . . . . 0.0 107.34 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -171.64 -94.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.914 1.286 . . . . 0.0 108.642 150.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt-85 -129.18 152.55 48.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.542 -1.349 . . . . 0.0 112.758 -168.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.17 -21.82 24.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.908 1.814 . . . . 0.0 109.632 155.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -46.65 -21.37 0.19 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.978 2.955 . . . . 0.0 118.978 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.39 -51.37 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.683 -2.511 . . . . 0.0 112.853 166.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.349 16.2 m -67.64 -5.03 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 129.841 3.256 . . . . 0.0 115.777 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -72.56 -13.61 61.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.269 1.952 . . . . 0.0 116.269 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -144.27 150.51 38.01 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.0 -37.37 14.37 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.26 -2.15 . . . . 0.0 108.987 -150.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.94 33.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 159.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -57.74 -54.21 49.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.999 2.52 . . . . 0.0 114.978 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.26 -58.12 1.24 Allowed 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.254 2.222 . . . . 0.0 115.477 166.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.54 -40.97 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.9 3.28 . . . . 0.0 110.868 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.76 70.35 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 121.725 -0.61 . . . . 0.0 111.225 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -74.54 -35.43 63.11 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.88 -1.762 . . . . 0.0 110.799 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.53 -33.62 71.61 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.533 -2.605 . . . . 0.0 114.753 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.2 -53.87 47.6 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 126.958 2.103 . . . . 0.0 113.934 162.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -35.08 -55.7 0.6 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 162.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -50.82 -40.17 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.63 29.13 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -58.22 131.15 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 121.46 2.63 . . . . 0.0 113.029 165.456 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -148.06 165.41 30.89 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.107 1.763 . . . . 0.0 108.297 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.335 0.6 OUTLIER -123.75 -143.4 0.32 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 121.9 -0.5 . . . . 0.0 111.17 171.689 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.24 79.99 0.99 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.838 -1.789 . . . . 0.0 114.03 -173.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.88 -16.6 60.95 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.093 -1.629 . . . . 0.0 113.777 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -140.12 160.34 40.16 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.84 1.32 . . . . 0.0 108.205 -174.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.37 162.31 10.23 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.214 -2.179 . . . . 0.0 114.945 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 tp -34.44 122.67 0.51 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 118.764 2.876 . . . . 0.0 118.764 146.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -111.5 -171.94 1.94 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.798 -1.926 . . . . 0.0 105.798 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -78.07 -49.57 13.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 123.91 1.814 . . . . 0.0 108.371 167.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.32 -10.36 50.11 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.327 3.051 . . . . 0.0 116.179 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.8 p -71.46 3.57 3.73 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.34 1.856 . . . . 0.0 115.099 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.53 -49.41 54.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 128.166 2.587 . . . . 0.0 110.829 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -57.08 1.8 Allowed 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.494 2.318 . . . . 0.0 115.531 167.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -44.13 -72.49 0.06 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.157 2.183 . . . . 0.0 115.505 168.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.0 mt -46.92 -53.56 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.257 2.223 . . . . 0.0 112.934 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.26 -21.31 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.985 -1.697 . . . . 0.0 113.628 -168.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.1 p -75.27 -53.41 8.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.276 1.431 . . . . 0.0 111.286 172.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -44.05 -33.28 1.41 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.558 3.169 . . . . 0.0 119.558 166.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.43 120.72 22.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 120.214 1.37 . . . . 0.0 107.893 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -78.62 -157.24 0.11 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.372 -1.455 . . . . 0.0 109.568 -175.008 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' H ' HG22 ' A' ' 62' ' ' THR . 42.9 mt-30 -83.71 -34.98 24.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.828 -1.795 . . . . 0.0 110.325 168.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -59.14 -51.4 70.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 122.829 1.3 . . . . 0.0 111.946 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.35 -47.87 65.83 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.257 3.023 . . . . 0.0 112.349 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -49.06 -50.07 38.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 124.14 1.924 . . . . 0.0 112.995 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -52.87 8.15 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.186 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 m -38.71 -55.12 1.51 Allowed 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.332 1.878 . . . . 0.0 113.847 168.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.63 -72.36 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.63 -32.69 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-O 124.12 1.914 . . . . 0.0 106.572 -152.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.7 -39.08 27.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 130.351 3.46 . . . . 0.0 111.62 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.23 -46.0 68.45 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.534 -1.354 . . . . 0.0 111.574 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -136.41 99.9 4.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.15 0.976 . . . . 0.0 109.1 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -85.42 -37.79 19.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.434 1.494 . . . . 0.0 114.0 -173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.18 -47.74 45.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.414 2.286 . . . . 0.0 116.576 -167.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.57 -33.44 58.3 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.332 0.968 . . . . 0.0 113.851 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.53 -49.34 60.31 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 124.714 1.205 . . . . 0.0 111.332 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.6 -43.99 97.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.184 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.2 -41.95 62.06 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 126.181 1.848 . . . . 0.0 117.658 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.545 -1.562 . . . . 0.0 111.116 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.24 -42.11 85.64 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.666 -1.271 . . . . 0.0 112.454 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -65.44 -48.55 72.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.498 ' CE1' HD12 ' A' ' 19' ' ' ILE . 19.0 t80 -56.89 -49.55 75.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 124.598 1.159 . . . . 0.0 112.149 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.69 -31.32 70.59 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.687 1.595 . . . . 0.0 113.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.42 -20.87 33.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.56 -1.338 . . . . 0.0 112.617 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.5 mtm -95.13 -39.89 9.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 122.276 2.307 . . . . 0.0 112.69 168.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.98 -75.67 0.37 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.568 -1.332 . . . . 0.0 111.272 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.429 -1.479 0 C-N-CA 116.926 -1.91 . . . . 0.0 109.816 -160.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm . . . . . 0 N--CA 1.43 -1.448 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.18 -27.59 0.42 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 168.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 65' ' ' ASP . 49.2 mt -68.44 -43.83 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 127.077 2.151 . . . . 0.0 112.572 173.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.448 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 1.4 t70 -43.2 -62.73 0.96 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.407 1.883 . . . . 0.0 114.438 158.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 120.579 1.536 . . . . 0.0 114.577 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 61' ' ' LEU . 74.4 t -87.77 -40.24 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.591 -1.943 . . . . 0.0 110.977 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 6' ' ' ASP . 17.7 ptt180 -69.95 -23.56 63.21 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.566 -1.959 . . . . 0.0 112.571 -176.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.92 -52.21 60.9 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.429 1.891 . . . . 0.0 113.2 166.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -45.24 -51.32 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 168.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.29 -59.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.432 3.093 . . . . 0.0 111.596 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -56.0 -52.56 63.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.763 1.625 . . . . 0.0 113.308 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -70.25 -46.39 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.817 -1.177 . . . . 0.0 111.192 -173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.81 -53.7 5.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 171.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -72.66 -37.22 68.0 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.175 0.512 . . . . 0.0 109.647 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.51 -44.56 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.599 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -46.58 12.96 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 121.85 2.114 . . . . 0.0 110.62 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.325 6.1 pt -73.31 -38.1 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.801 -1.812 . . . . 0.0 115.579 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -51.83 67.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 115.279 -2.296 . . . . 0.0 115.568 -173.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -115.48 19.22 15.57 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 122.41 2.368 . . . . 0.0 116.214 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 t -126.77 -90.38 0.53 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.325 -2.109 . . . . 0.0 111.846 158.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -116.88 119.76 36.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.696 -1.877 . . . . 0.0 113.35 -153.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.6 tt0 -88.22 -49.38 7.03 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 123.948 1.832 . . . . 0.0 112.931 -170.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -25.3 -46.06 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.424 4.69 . . . . 0.0 118.489 172.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.451 HD12 ' H ' ' A' ' 27' ' ' VAL . 2.3 pp -64.42 -40.64 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.638 -1.914 . . . . 0.0 115.696 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 24' ' ' GLU 0.385 4.6 p -68.46 -32.88 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.618 -1.301 . . . . 0.0 112.851 178.72 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -44.06 -36.13 2.41 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 170.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -138.09 107.94 6.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.88 2.072 . . . . 0.0 108.613 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -88.4 -21.41 24.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.46 -2.65 . . . . 0.0 112.487 -136.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -7.14 3.22 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 117.442 -3.286 . . . . 0.0 117.808 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.9 -22.42 20.91 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.268 -2.77 . . . . 0.0 110.785 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.56 -50.5 25.13 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.802 -1.999 . . . . 0.0 109.067 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -55.34 -55.55 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.139 1.376 . . . . 0.0 108.613 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.73 65.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.362 -1.462 . . . . 0.0 114.403 -165.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -82.29 -16.21 50.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.282 -2.761 . . . . 0.0 109.777 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.31 0.5 OUTLIER -82.03 -14.91 55.23 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.925 -1.109 . . . . 0.0 113.691 170.651 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.95 -19.21 23.52 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.323 -2.11 . . . . 0.0 112.273 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -40.26 -41.02 1.25 Allowed 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 155.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 127.481 2.313 . . . . 0.0 116.245 168.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.81 10.03 15.23 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.959 -1.088 . . . . 0.0 112.483 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.3 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 127.095 2.158 . . . . 0.0 112.406 160.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -120.42 151.46 39.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 164.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.268 61.4 m80 -133.71 -134.72 0.17 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.866 174.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.47 78.2 0.56 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -157.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.62 -21.63 43.57 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 119.271 -2.143 . . . . 0.0 111.45 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -142.38 173.58 11.4 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 123.756 0.822 . . . . 0.0 110.922 -153.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -63.91 178.93 0.57 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.825 -1.797 . . . . 0.0 110.929 151.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.95 157.7 29.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.544 -3.223 . . . . 0.0 111.293 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -112.07 177.25 4.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -76.86 -48.84 17.19 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.57 -23.96 53.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.99 3.716 . . . . 0.0 115.927 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -63.85 -7.94 9.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.003 -1.686 . . . . 0.0 114.202 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 6.3 t80 -71.49 -14.94 62.28 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.346 1.858 . . . . 0.0 113.281 -173.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER -58.46 -57.85 11.13 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 165.231 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -83.15 -7.82 59.58 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.321 2.248 . . . . 0.0 114.252 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 54' ' ' PHE . 28.7 mm -56.68 -78.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 136.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.4 -38.05 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 116.936 -3.603 . . . . 0.0 114.906 -153.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -51.58 62.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.039 2.136 . . . . 0.0 113.494 -169.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -40.97 -31.82 0.2 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 169.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 8' ' ' VAL . 16.9 mt -75.28 150.37 38.55 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.466 1.507 . . . . 0.0 111.156 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -123.5 -156.73 0.72 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.27 -1.518 . . . . 0.0 107.982 -156.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -81.86 -31.3 31.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.264 -1.523 . . . . 0.0 111.386 168.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -44.16 -53.54 6.4 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.705 2.002 . . . . 0.0 113.019 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HA ' HD11 ' A' ' 5' ' ' ILE . 3.5 t70 -50.14 -61.28 2.25 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.352 2.661 . . . . 0.0 110.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -36.57 -65.66 0.27 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.718 2.807 . . . . 0.0 115.351 -175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -85.47 -30.6 23.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.372 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -52.86 -52.25 58.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.452 1.933 . . . . 0.0 112.361 173.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 tp -54.24 -60.5 3.25 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.535 2.334 . . . . 0.0 112.295 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.2 -35.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 124.924 2.297 . . . . 0.0 105.917 -157.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.87 -47.09 82.06 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 131.283 3.833 . . . . 0.0 111.836 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -74.03 -45.39 49.94 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.83 -1.168 . . . . 0.0 112.1 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -135.79 100.9 4.59 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.323 -0.861 . . . . 0.0 112.157 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.17 -38.65 30.92 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -76.53 -42.81 41.8 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -154.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.59 90.35 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 120.561 -1.337 . . . . 0.0 114.465 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.02 -51.85 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.85 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.72 -32.89 74.48 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.29 -1.506 . . . . 0.0 113.037 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.22 82.7 Favored Glycine 0 N--CA 1.43 -1.723 0 C-N-CA 125.299 1.428 . . . . 0.0 115.727 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m -83.73 -36.58 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.975 -1.309 . . . . 0.0 110.083 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.51 -42.72 82.37 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.659 1.183 . . . . 0.0 113.139 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -57.83 -46.21 85.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.664 -1.273 . . . . 0.0 112.67 174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -40.6 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.865 -1.147 . . . . 0.0 112.537 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 tp -49.45 -47.53 48.21 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 121.23 1.832 . . . . 0.0 115.255 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.51 -35.59 80.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 123.937 0.895 . . . . 0.0 112.245 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.6 ttm -73.63 -45.44 52.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.387 22.8 p90 -83.18 -72.91 0.43 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 120.511 -1.368 . . . . 0.0 113.347 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 CA-C-N 121.745 2.066 . . . . 0.0 111.432 -169.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.98 -37.69 77.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.641 1.176 . . . . 0.0 112.355 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.27 -53.21 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 126.681 1.992 . . . . 0.0 111.154 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -36.85 -54.64 0.92 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 128.863 2.865 . . . . 0.0 116.896 159.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 m -63.45 -51.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 111.664 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 11' ' ' ILE . 59.1 t -58.3 -46.26 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -37.68 88.18 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.748 -2.47 . . . . 0.0 112.332 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -58.93 -39.52 81.86 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 126.969 2.108 . . . . 0.0 114.938 169.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.557 HG12 ' HA ' ' A' ' 8' ' ' VAL . 19.6 mm -54.34 -50.89 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.47 -52.63 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 125.647 1.579 . . . . 0.0 111.029 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -52.5 -61.69 2.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.521 2.328 . . . . 0.0 113.704 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -70.46 -36.68 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 123.787 0.835 . . . . 0.0 111.454 -166.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.84 29.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -59.12 -45.17 91.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.607 1.563 . . . . 0.0 111.703 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.7 pt -69.27 -20.12 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 18' ' ' LEU . 1.5 tt -82.48 -46.44 13.45 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 121.255 1.843 . . . . 0.0 111.31 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 29.6 pt -71.61 -33.04 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -174.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -38.78 -91.31 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 127.288 2.235 . . . . 0.0 116.685 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.77 18.63 17.72 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.558 2.89 . . . . 0.0 113.988 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -120.72 -81.56 0.64 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.753 -1.217 . . . . 0.0 114.01 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -143.87 111.1 5.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.735 -1.228 . . . . 0.0 109.649 -164.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -87.37 -25.81 23.65 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.335 1.454 . . . . 0.0 112.581 -174.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -38.71 -37.37 0.33 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.102 2.961 . . . . 0.0 116.716 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -45.83 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 126.671 1.988 . . . . 0.0 112.754 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 1.5 p -75.21 -30.63 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.105 -1.622 . . . . 0.0 114.533 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.31 -37.65 75.51 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.148 1.779 . . . . 0.0 115.371 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -109.15 86.25 2.25 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HG2' ' H ' ' A' ' 30' ' ' ARG . 14.9 mmt85 -41.63 -44.23 3.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.691 3.219 . . . . 0.0 119.691 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -19.74 65.97 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.163 -1.586 . . . . 0.0 114.274 -177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -81.32 -40.29 23.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.13 1.772 . . . . 0.0 110.617 173.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 1.5 t80 -58.53 -56.08 26.77 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.743 1.217 . . . . 0.0 110.688 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.76 -56.11 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 119.774 -1.829 . . . . 0.0 111.184 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.95 -8.36 43.79 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -83.56 -30.95 26.63 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.922 -1.111 . . . . 0.0 110.504 165.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.26 -18.82 62.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.288 -2.758 . . . . 0.0 114.166 162.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -72.9 -46.36 53.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 118.048 -2.907 . . . . 0.0 111.016 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -37.46 -50.87 1.11 Allowed 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 164.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.97 -37.19 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.059 1.744 . . . . 0.0 112.843 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.49 43.54 0.89 Allowed Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 124.159 0.885 . . . . 0.0 112.001 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 133.93 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-O 124.547 2.118 . . . . 0.0 113.856 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -143.86 170.17 16.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.458 2.703 . . . . 0.0 110.217 -152.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -145.94 -128.93 0.07 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.225 1.01 . . . . 0.0 110.601 179.532 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -75.68 77.15 2.66 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.951 1.301 . . . . 0.0 112.416 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.81 -24.02 6.26 Favored Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 125.118 1.342 . . . . 0.0 114.774 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -117.25 162.24 18.2 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.527 -1.572 . . . . 0.0 110.43 -166.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 69.6 mmtt -55.11 147.26 16.45 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.132 2.173 . . . . 0.0 111.528 164.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 tp -74.59 123.35 24.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 118.858 -2.401 . . . . 0.0 112.081 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.54 149.13 28.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.748 1.219 . . . . 0.0 113.009 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.19 -33.16 72.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.619 -1.301 . . . . 0.0 113.338 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -67.38 -16.12 64.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -82.59 22.94 0.83 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.01 -38.36 70.38 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -50.58 72.92 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.956 -1.715 . . . . 0.0 113.63 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -24.7 39.14 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.2 mt -87.07 -69.22 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 124.676 1.191 . . . . 0.0 112.149 162.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.14 -37.6 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 117.149 -3.47 . . . . 0.0 114.823 -151.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.254 6.3 p -81.04 -1.15 42.88 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -88.2 -15.19 36.64 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.023 -1.673 . . . . 0.0 111.782 167.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.66 124.09 31.81 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.186 1.394 . . . . 0.0 111.125 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -90.67 -177.29 4.97 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.812 -1.805 . . . . 0.0 109.673 178.092 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.409 ' H ' HG22 ' A' ' 62' ' ' THR . 86.8 mt-30 -61.75 -39.36 91.33 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.631 -1.918 . . . . 0.0 112.976 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.45 -60.82 1.02 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 128.862 2.865 . . . . 0.0 114.214 163.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.57 -45.88 77.83 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.967 2.107 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -52.45 50.72 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 127.302 2.241 . . . . 0.0 112.289 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -80.99 -33.0 34.05 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.86 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -52.38 -45.96 66.01 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 120.062 1.301 . . . . 0.0 112.973 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.39 -53.5 57.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.175 1.79 . . . . 0.0 112.305 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.92 -52.48 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 127.195 2.198 . . . . 0.0 113.278 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -56.03 16.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.025 2.13 . . . . 0.0 114.294 175.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -35.84 67.56 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.876 -1.14 . . . . 0.0 113.753 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -122.76 70.54 1.01 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 122.463 1.125 . . . . 0.0 111.382 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.77 -23.78 58.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.663 -1.898 . . . . 0.0 112.335 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.36 -40.25 77.7 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.213 1.805 . . . . 0.0 113.879 170.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.01 97.67 Favored Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 124.453 1.025 . . . . 0.0 114.237 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.18 -52.92 63.53 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.631 1.572 . . . . 0.0 111.867 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -43.8 -65.97 0.44 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.207 2.203 . . . . 0.0 114.911 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.2 -57.69 15.84 Favored Glycine 0 N--CA 1.43 -1.744 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.89 -22.0 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -62.23 -54.66 37.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.317 -1.489 . . . . 0.0 111.54 169.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -67.33 -38.1 84.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.889 -1.132 . . . . 0.0 113.594 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.3 t80 -61.88 -47.03 86.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.802 -1.186 . . . . 0.0 112.451 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.94 -42.19 98.83 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.365 -1.459 . . . . 0.0 113.537 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -47.81 84.09 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.411 -0.806 . . . . 0.0 112.428 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.7 mmm -80.67 -41.1 24.32 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -97.77 -74.18 0.59 Allowed 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.674 -1.266 . . . . 0.0 113.507 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.43 -1.461 0 O-C-N 120.471 -1.393 . . . . 0.0 110.234 -153.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 tptm . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -86.59 -36.48 18.85 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.185 -1.572 . . . . 0.0 111.135 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.267 0.0 OUTLIER -68.27 -27.93 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 119.92 1.236 . . . . 0.0 113.879 176.119 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -45.93 -63.4 0.98 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 153.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -51.83 -56.86 11.45 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.983 1.713 . . . . 0.0 114.253 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -48.19 -57.93 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.404 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 167.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.39 -34.28 73.68 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.489 -2.007 . . . . 0.0 113.524 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.42 -44.03 88.93 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 170.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.7 -32.04 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 125.314 1.446 . . . . 0.0 111.517 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -36.76 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.532 -1.355 . . . . 0.0 109.565 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -65.12 -57.7 7.91 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.765 1.626 . . . . 0.0 111.31 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.47 -29.86 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.83 51.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.343 -1.473 . . . . 0.0 113.76 172.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -70.88 -40.44 72.25 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.743 -1.848 . . . . 0.0 112.236 170.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.01 -53.91 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.088 2.155 . . . . 0.0 112.378 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -36.78 -64.65 0.33 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.053 2.541 . . . . 0.0 116.363 164.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 83' ' ' TYR . 23.0 pt -77.53 -31.55 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -173.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -49.58 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.179 1.391 . . . . 0.0 113.98 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -112.87 18.39 18.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -124.46 -83.3 0.65 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.112 -1.618 . . . . 0.0 111.813 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -142.74 119.98 11.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.566 1.174 . . . . 0.0 113.376 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.9 -19.95 28.11 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.544 1.537 . . . . 0.0 109.985 171.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -59.64 -29.92 68.37 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-O 125.218 2.437 . . . . 0.0 113.272 -170.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.15 -30.74 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 128.465 2.706 . . . . 0.0 109.285 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -25.99 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.189 1.796 . . . . 0.0 112.341 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.33 1.38 11.7 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.974 -1.704 . . . . 0.0 113.868 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.01 97.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.804 1.242 . . . . 0.0 107.893 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -15.92 63.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.657 -1.902 . . . . 0.0 115.513 -167.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.49 -40.86 49.05 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.248 -1.533 . . . . 0.0 112.319 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.32 -52.68 57.27 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.387 -1.446 . . . . 0.0 111.985 169.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -37.91 -47.76 1.09 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -80.55 -36.56 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.032 1.733 . . . . 0.0 109.555 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.09 74.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 111.641 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.33 -46.93 82.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.056 -1.652 . . . . 0.0 113.244 166.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.316 0.8 OUTLIER -71.94 -10.05 59.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 177.717 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.29 -35.54 58.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.763 -1.836 . . . . 0.0 111.516 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.62 -42.96 3.61 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.235 2.214 . . . . 0.0 116.372 161.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -50.2 -33.56 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 119.458 -2.026 . . . . 0.0 116.41 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.41 34.09 2.17 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.476 -1.39 . . . . 0.0 112.81 -168.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.92 103.62 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.898 -1.354 . . . . 0.0 111.462 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -124.41 138.67 54.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.751 1.62 . . . . 0.0 108.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -108.88 -131.43 0.31 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 116.744 -1.598 . . . . 0.0 107.173 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.0 78.9 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.545 1.975 . . . . 0.0 115.395 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.39 -28.13 1.02 Allowed Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.111 -2.243 . . . . 0.0 117.091 -169.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -115.99 170.88 8.15 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.037 1.335 . . . . 0.0 112.972 -158.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -77.93 164.13 25.39 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 129.627 3.171 . . . . 0.0 110.021 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 tp -93.94 128.43 40.24 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.259 -2.15 . . . . 0.0 112.044 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -87.6 160.13 18.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.197 1.799 . . . . 0.0 112.746 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -92.92 -4.06 53.45 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.728 -1.233 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -107.67 -7.47 16.41 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.258 1.423 . . . . 0.0 113.715 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.9 p -89.67 15.73 9.08 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -44.75 -52.51 8.31 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.782 2.033 . . . . 0.0 114.644 163.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.49 -42.62 4.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -95.15 -15.81 23.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.711 1.204 . . . . 0.0 111.708 -176.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.86 -52.54 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 119.56 -1.963 . . . . 0.0 109.345 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.07 -37.77 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.78 -1.2 . . . . 0.0 113.289 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -50.55 -27.94 7.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 171.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.37 -16.25 16.28 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.786 -2.446 . . . . 0.0 114.358 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.28 100.64 0.48 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.531 1.932 . . . . 0.0 112.025 163.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.5 p -84.11 -166.64 1.48 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -70.63 -40.04 73.36 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 117.817 -3.052 . . . . 0.0 115.723 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -34.85 -58.04 0.52 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 118.092 2.627 . . . . 0.0 118.092 155.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -48.31 76.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.426 2.29 . . . . 0.0 111.363 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -49.49 -56.37 10.02 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.832 1.653 . . . . 0.0 112.464 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -58.72 -45.71 88.99 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.344 -1.472 . . . . 0.0 113.614 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.5 m -53.87 -45.49 71.02 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.282 3.033 . . . . 0.0 115.71 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.08 -65.19 0.64 Allowed 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.828 1.775 . . . . 0.0 114.792 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mm -47.75 -65.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 1 C-N-CA 133.557 4.743 . . . . 0.0 112.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.32 -50.65 72.09 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.862 2.465 . . . . 0.0 116.87 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.99 -45.88 47.22 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.218 0.917 . . . . 0.0 112.464 -172.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.05 79.24 1.82 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.233 1.016 . . . . 0.0 111.309 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.015 1.726 . . . . 0.0 114.086 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.39 -47.62 78.59 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.031 2.132 . . . . 0.0 116.438 -171.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.31 54.03 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 120.707 -1.246 . . . . 0.0 112.336 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.21 -46.58 83.27 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.363 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.08 -37.69 77.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.308 -1.495 . . . . 0.0 114.013 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.07 -25.82 47.21 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 119.943 -1.723 . . . . 0.0 112.949 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.316 1.7 p -80.98 -32.41 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 122.181 -0.599 . . . . 0.0 110.324 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -41.59 98.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 120.143 1.338 . . . . 0.0 114.126 173.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -61.98 -44.06 97.53 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.321 -1.487 . . . . 0.0 114.103 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CD1' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -68.66 -32.17 71.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.505 -1.372 . . . . 0.0 113.167 176.326 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.45 -39.7 81.36 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.113 2.165 . . . . 0.0 114.083 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.85 -45.12 71.91 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.36 -1.462 . . . . 0.0 112.578 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.2 ttm -56.83 -53.95 51.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -113.63 -9.41 13.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.532 2.733 . . . . 0.0 116.675 -165.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.444 0 CA-C-N 122.199 2.272 . . . . 0.0 113.876 150.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.07 19.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 -170.222 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.454 ' H ' HG13 ' A' ' 5' ' ' ILE . 42.3 mt -33.66 -62.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.332 2.653 . . . . 0.0 116.321 147.164 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.3 t70 -49.02 -57.64 6.22 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.553 1.941 . . . . 0.0 116.231 170.115 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -61.2 -30.95 70.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.481 -2.012 . . . . 0.0 114.006 -177.158 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 61' ' ' LEU . 72.8 t -82.76 -48.56 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 127.434 2.293 . . . . 0.0 114.096 176.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 20.4 ptt180 -61.53 -18.21 58.14 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 118.996 -2.315 . . . . 0.0 114.01 170.468 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.98 -58.71 3.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.921 1.289 . . . . 0.0 110.481 167.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -42.48 -50.36 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 126.499 1.92 . . . . 0.0 115.508 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -79.75 -55.48 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.208 -1.558 . . . . 0.0 110.785 -172.437 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.5 m -56.07 -52.49 64.11 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.389 1.476 . . . . 0.0 113.144 -176.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.57 -44.29 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 CA-C-N 118.509 0.595 . . . . 0.0 110.154 -174.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.63 64.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 167.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.7 m -65.14 -41.91 94.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.716 1.207 . . . . 0.0 112.337 -176.076 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.27 -49.74 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.369 1.867 . . . . 0.0 112.352 173.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -84.25 -47.39 10.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.821 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.608 HD12 ' CE1' ' A' ' 83' ' ' TYR . 21.5 pt -61.85 -31.08 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 122.537 2.426 . . . . 0.0 115.71 -173.415 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.07 -71.66 0.06 Allowed 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 162.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -115.3 15.64 16.89 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.252 1.501 . . . . 0.0 112.184 -173.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -108.81 -72.14 0.73 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.064 -1.023 . . . . 0.0 111.526 176.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 127.54 0.33 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 123.44 1.591 . . . . 0.0 112.886 -153.31 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.79 -39.42 15.94 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.983 3.713 . . . . 0.0 110.829 173.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -24.07 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.803 2.841 . . . . 0.0 118.578 165.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.77 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.673 1.989 . . . . 0.0 112.482 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.371 9.1 m -59.45 -42.79 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.389 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.685 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -42.45 -33.33 0.65 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 177.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.45 83.96 2.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 169.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.256 14.1 mtm180 -25.99 -45.1 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.451 1 N-CA-C 123.799 4.74 . . . . 0.0 123.799 177.205 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.02 17.21 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 122.969 2.622 . . . . 0.0 116.729 174.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -89.89 -42.15 11.39 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.055 -1.653 . . . . 0.0 108.286 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -40.15 -49.12 2.61 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.956 3.317 . . . . 0.0 119.956 158.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -69.85 -45.8 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 126.899 2.08 . . . . 0.0 106.029 -175.418 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -14.57 62.72 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 117.995 -2.941 . . . . 0.0 115.62 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.6 -14.34 54.97 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 123.824 3.011 . . . . 0.0 106.921 175.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.18 -21.88 39.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.297 -1.502 . . . . 0.0 110.082 170.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -84.02 -9.87 58.32 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.233 -2.167 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.15 -52.47 23.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.892 1.677 . . . . 0.0 114.082 160.282 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -46.82 -36.86 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 173.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.48 42.84 6.37 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-O 119.311 -0.716 . . . . 0.0 113.91 -171.47 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -90.0 119.09 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 143.49 43.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.236 -1.54 . . . . 0.0 109.223 -168.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.252 19.0 m-70 -117.55 -112.49 0.34 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 119.809 1.186 . . . . 0.0 110.833 177.379 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.9 67.91 4.73 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.988 -1.07 . . . . 0.0 112.65 -166.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.11 -24.99 4.38 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 118.692 -2.505 . . . . 0.0 114.788 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -132.04 134.29 45.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.947 -1.326 . . . . 0.0 111.587 -153.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -44.71 124.86 4.54 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.799 2.039 . . . . 0.0 114.282 163.023 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.53 111.52 10.92 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.488 -2.008 . . . . 0.0 111.554 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -90.22 179.07 6.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.669 1.588 . . . . 0.0 110.135 173.061 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.68 -35.35 70.27 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.957 2.313 . . . . 0.0 109.255 -166.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -58.08 -25.86 61.83 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.934 4.094 . . . . 0.0 114.498 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -68.0 -12.38 60.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.717 -1.239 . . . . 0.0 113.758 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.6 -14.4 62.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.97 -1.706 . . . . 0.0 115.312 -177.271 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -69.2 -49.05 60.12 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.174 -1.578 . . . . 0.0 110.662 173.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.15 -49.27 32.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.509 2.724 . . . . 0.0 114.844 168.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.59 -75.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 128.004 2.522 . . . . 0.0 112.68 164.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.44 -21.71 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 122.007 2.185 . . . . 0.0 116.33 -155.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -88.2 -34.55 17.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 113.986 175.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -84.04 6.98 20.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.404 -2.06 . . . . 0.0 115.54 169.697 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD11 HG21 ' A' ' 8' ' ' VAL . 96.2 mt -89.17 132.17 34.96 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.34 -1.475 . . . . 0.0 108.188 146.635 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -114.97 -158.2 0.66 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.827 1.651 . . . . 0.0 106.763 -166.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -73.93 -47.57 36.79 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 162.003 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.73 -34.72 76.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.977 -1.702 . . . . 0.0 111.657 -166.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.85 -50.64 72.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.142 2.177 . . . . 0.0 112.189 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -44.35 -47.3 9.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.742 2.417 . . . . 0.0 114.376 173.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -74.22 -55.87 5.55 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.259 -0.901 . . . . 0.0 112.95 -176.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.9 m -37.42 -46.81 0.82 Allowed 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 130.444 3.497 . . . . 0.0 115.457 163.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.24 -63.18 1.18 Allowed 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 169.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.36 -42.5 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.254 2.622 . . . . 0.0 110.651 -165.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.68 -27.02 67.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 131.567 3.947 . . . . 0.0 111.874 -171.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.15 -47.16 9.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.155 -0.965 . . . . 0.0 112.567 174.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -126.56 86.55 2.53 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -175.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.84 -29.33 23.83 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.243 1.017 . . . . 0.0 110.334 178.311 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.73 -51.71 67.77 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.483 1.513 . . . . 0.0 113.144 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.64 -25.49 75.47 Favored Glycine 0 N--CA 1.43 -1.703 0 O-C-N 120.854 -1.154 . . . . 0.0 115.415 173.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -65.94 -50.47 64.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.279 1.432 . . . . 0.0 111.022 175.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.02 -50.25 74.46 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.978 -1.077 . . . . 0.0 111.295 168.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.08 -35.74 8.76 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 118.241 2.056 . . . . 0.0 118.241 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.01 -22.19 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 119.559 -2.142 . . . . 0.0 110.455 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -70.31 -33.43 71.53 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.75 -1.844 . . . . 0.0 111.362 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.192 1.397 . . . . 0.0 112.489 168.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 19' ' ' ILE . 4.6 t80 -66.64 -39.27 88.17 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.574 -1.329 . . . . 0.0 112.897 172.609 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.4 -53.71 55.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.837 1.655 . . . . 0.0 114.628 177.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.14 -33.52 70.14 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.174 0.99 . . . . 0.0 111.865 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 ttt -68.17 -52.49 33.93 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 169.586 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -105.87 -73.08 0.69 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.646 -1.908 . . . . 0.0 116.118 -169.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.429 -1.481 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.104 -141.339 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.95 -8.91 53.26 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 178.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -82.01 -50.29 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 126.632 1.973 . . . . 0.0 108.743 -176.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.47 70.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.489 1.516 . . . . 0.0 112.44 168.352 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.5 m -57.09 -36.72 70.94 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 169.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.08 -41.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 118.986 -2.321 . . . . 0.0 111.114 -174.585 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -12.87 60.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.76 -1.837 . . . . 0.0 112.831 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.59 -50.49 58.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.549 -1.344 . . . . 0.0 111.704 161.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.06 -49.42 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 125.376 1.47 . . . . 0.0 113.659 174.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.02 -38.43 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 124.998 1.319 . . . . 0.0 112.164 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -59.17 -62.59 1.77 Allowed 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.723 -1.236 . . . . 0.0 111.364 171.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.54 -12.34 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.995 -1.691 . . . . 0.0 114.471 -171.247 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.4 -34.62 17.49 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.094 0.958 . . . . 0.0 111.176 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -84.85 -33.97 22.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.865 -1.147 . . . . 0.0 110.598 -178.014 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.62 -21.99 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.601 -1.312 . . . . 0.0 110.901 170.091 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -64.53 -71.2 0.19 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.473 -2.017 . . . . 0.0 114.542 166.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 18.3 pt -70.79 -36.29 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -160.762 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -38.97 -64.09 0.48 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.474 2.31 . . . . 0.0 115.196 -178.328 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -110.61 43.84 1.35 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.028 1.731 . . . . 0.0 113.039 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.5 m -135.72 -96.05 0.24 Allowed 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 113.016 173.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.06 143.71 29.57 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.895 1.278 . . . . 0.0 107.667 -172.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.51 -34.74 60.83 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 125.011 2.338 . . . . 0.0 111.716 172.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.05 -24.08 2.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.978 2.911 . . . . 0.0 116.522 -162.209 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -69.76 -46.91 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 118.971 -2.33 . . . . 0.0 112.902 170.746 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.43 -8.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 126.627 1.971 . . . . 0.0 113.441 176.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.59 -24.99 66.41 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -128.13 136.91 51.8 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 160.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -76.94 -19.61 57.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 125.343 3.701 . . . . 0.0 114.799 -174.248 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.53 1.12 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.374 1.47 . . . . 0.0 114.808 169.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -35.7 -47.17 0.47 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 121.55 3.907 . . . . 0.0 121.55 155.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' HG22 ' A' ' 26' ' ' ILE . 4.9 t80 -58.21 -55.0 40.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.833 2.053 . . . . 0.0 112.497 176.451 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.1 mt -61.24 -41.66 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 126.52 1.928 . . . . 0.0 110.62 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.75 90.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.844 0.83 . . . . 0.0 110.162 -176.036 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.03 -34.88 22.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 159.345 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.91 -13.86 60.97 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 117.135 -3.478 . . . . 0.0 114.421 173.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -75.63 -39.6 57.53 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 118.961 -2.337 . . . . 0.0 112.837 169.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -44.88 -30.32 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.524 3.527 . . . . 0.0 120.524 154.105 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.76 -23.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.504 -1.997 . . . . 0.0 110.504 169.343 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.09 42.8 4.88 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 119.054 -2.279 . . . . 0.0 111.967 164.556 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.27 114.84 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 126.13 1.772 . . . . 0.0 112.472 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.8 p -99.51 149.5 23.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.021 -2.299 . . . . 0.0 115.357 -157.092 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HE1' ' HB2' ' A' ' 47' ' ' ARG . 2.3 p-80 -131.63 -176.72 4.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 163.771 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -45.88 92.88 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 -27.34 6.85 Favored Glycine 0 N--CA 1.429 -1.772 0 C-N-CA 126.84 2.162 . . . . 0.0 116.772 175.446 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB2' ' HE1' ' A' ' 44' ' ' HIS . 65.6 mtt180 -135.12 172.19 13.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 119.502 1.651 . . . . 0.0 110.556 -168.46 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 174.71 11.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.471 -2.018 . . . . 0.0 108.316 171.325 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -97.85 122.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.773 -1.83 . . . . 0.0 112.903 -168.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -96.13 179.93 4.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.967 1.307 . . . . 0.0 109.76 172.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -72.32 -55.03 7.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.573 -1.954 . . . . 0.0 110.022 -163.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -36.31 -37.36 0.12 Allowed 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 132.688 4.395 . . . . 0.0 118.01 -178.368 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -85.21 15.29 4.35 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.461 -2.025 . . . . 0.0 114.787 -174.052 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -54.98 -34.6 63.49 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.473 1.909 . . . . 0.0 113.522 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -32.47 -68.98 0.09 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.688 2.106 . . . . 0.0 116.688 153.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -84.88 -9.27 58.29 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.993 -1.692 . . . . 0.0 115.079 -171.862 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -45.73 -67.77 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 120.236 -1.54 . . . . 0.0 115.042 148.43 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.56 -32.56 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -165.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -48.67 -45.48 38.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.713 2.005 . . . . 0.0 115.004 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -66.69 -13.66 61.55 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.56 147.11 27.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.995 1.379 . . . . 0.0 113.299 -168.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.4 m -124.08 151.51 43.77 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 128.315 2.646 . . . . 0.0 107.351 -176.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -25.07 -31.4 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 132.932 4.493 . . . . 0.0 120.927 176.063 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -33.52 -53.49 0.42 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.725 2.81 . . . . 0.0 113.211 161.13 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -50.65 -54.08 25.8 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 129.383 3.073 . . . . 0.0 113.645 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -57.28 -45.57 83.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.695 1.998 . . . . 0.0 111.092 -164.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.54 -40.7 18.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.253 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.6 m -52.51 -51.23 60.54 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.516 1.526 . . . . 0.0 113.789 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.87 -60.21 3.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.33 1.452 . . . . 0.0 112.638 175.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.71 -32.51 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.695 -1.253 . . . . 0.0 112.468 -169.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.81 -45.22 67.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.107 -1.62 . . . . 0.0 115.192 171.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -73.93 -46.72 42.5 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.012 -1.68 . . . . 0.0 112.328 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -107.71 26.43 10.31 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.327 1.451 . . . . 0.0 112.882 -157.067 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -49.06 -53.37 20.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.36 2.264 . . . . 0.0 113.597 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.335 1.054 . . . . 0.0 113.518 179.545 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.57 89.7 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 124.939 1.257 . . . . 0.0 113.911 177.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -65.97 -51.92 54.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.461 1.904 . . . . 0.0 112.046 175.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.15 -39.96 88.21 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 178.438 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.19 -57.37 17.09 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.361 0.981 . . . . 0.0 113.571 175.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.04 -32.18 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.309 -1.701 . . . . 0.0 115.386 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -53.3 -45.3 68.91 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.221 1.409 . . . . 0.0 112.165 172.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.62 -28.75 66.19 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 11.5 t80 -66.14 -44.43 84.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.543 -1.973 . . . . 0.0 110.583 170.654 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.79 -38.44 91.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.573 1.549 . . . . 0.0 113.023 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.81 -45.91 80.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.564 -1.335 . . . . 0.0 112.344 172.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.6 mmt -79.23 -39.55 32.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 120.037 1.29 . . . . 0.0 114.097 -174.349 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.6 -69.95 0.72 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 121.725 2.057 . . . . 0.0 112.888 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.43 -1.443 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.731 -157.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 121.978 0.894 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -87.25 179.12 6.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 124.065 1.888 . . . . 0.0 113.855 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.48 -18.01 37.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 114.662 -1.154 . . . . 0.0 107.976 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.58 -52.14 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.569 1.548 . . . . 0.0 110.145 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 -59.45 2.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 130.82 3.648 . . . . 0.0 112.756 167.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -49.63 -62.28 1.64 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.13 -41.31 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.455 1.902 . . . . 0.0 114.478 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -65.31 -31.34 72.43 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.171 2.259 . . . . 0.0 112.013 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.112 1.365 . . . . 0.0 113.304 172.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.43 -61.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.854 -1.154 . . . . 0.0 112.074 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.33 -47.2 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.144 1.378 . . . . 0.0 114.189 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -67.87 -40.06 83.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.139 -1.6 . . . . 0.0 113.082 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.62 -35.97 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.804 -1.185 . . . . 0.0 110.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.32 -54.67 42.7 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -51.89 -50.25 61.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.16 2.184 . . . . 0.0 113.271 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.45 -42.25 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.558 1.072 . . . . 0.0 113.185 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.444 HD11 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -77.82 -22.74 49.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.635 -1.291 . . . . 0.0 113.19 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.298 13.0 pt -85.67 -57.39 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 118.611 -2.555 . . . . 0.0 115.147 169.25 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.255 1.7 tmtp? -29.6 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.876 3.27 . . . . 0.0 116.057 -174.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.32 18.3 22.09 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 125.227 3.649 . . . . 0.0 111.893 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -125.2 -76.87 0.59 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -171.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt85 -140.77 91.35 2.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.392 -1.442 . . . . 0.0 112.024 -160.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.43 -31.49 18.79 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.321 -1.487 . . . . 0.0 113.013 -172.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.86 -13.84 2.96 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 129.104 2.961 . . . . 0.0 116.845 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD11 ' A' ' 18' ' ' LEU . 7.0 pt -96.15 -21.99 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 126.311 1.844 . . . . 0.0 112.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG21 HG21 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -76.39 -23.55 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.168 1.387 . . . . 0.0 111.798 173.366 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -49.76 -58.95 4.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.713 2.805 . . . . 0.0 115.558 165.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.78 89.37 2.99 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.988 1.715 . . . . 0.0 107.096 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.01 -5.32 16.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -157.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.01 55.66 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 120.065 1.302 . . . . 0.0 111.41 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -66.35 -45.22 80.94 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.83 1.252 . . . . 0.0 110.63 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.03 -51.79 22.7 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.518 1.527 . . . . 0.0 114.728 167.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.9 -53.26 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.973 1.709 . . . . 0.0 110.802 -173.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.88 -13.14 60.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.08 -25.2 25.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.769 2.077 . . . . 0.0 110.825 166.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -33.05 51.79 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.279 -1.513 . . . . 0.0 111.989 175.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -72.44 -39.48 67.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.66 -2.525 . . . . 0.0 113.216 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -33.6 -43.53 0.13 Allowed 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.144 2.978 . . . . 0.0 117.219 163.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.18 -37.52 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.706 2.402 . . . . 0.0 115.822 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.42 23.46 5.71 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 120.24 -1.538 . . . . 0.0 112.649 -164.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -83.33 109.73 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -117.31 155.87 28.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 121.652 2.024 . . . . 0.0 112.54 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -128.01 -125.48 0.22 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.471 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -86.36 66.2 9.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.64 -166.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.53 -11.2 19.68 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.597 1.57 . . . . 0.0 114.923 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.67 174.73 10.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.082 1.353 . . . . 0.0 110.807 -159.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -79.47 171.26 15.4 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.77 -1.206 . . . . 0.0 111.105 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -81.22 132.35 35.34 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.863 -1.773 . . . . 0.0 112.893 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -108.01 139.11 43.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.444 1.498 . . . . 0.0 108.465 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -70.65 -18.65 62.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.681 -1.887 . . . . 0.0 113.452 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -63.75 -28.33 69.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.416 2.286 . . . . 0.0 113.594 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m -78.81 7.45 7.05 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.74 -28.76 57.56 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.986 -2.321 . . . . 0.0 115.423 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -60.67 -43.71 97.36 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.793 -1.817 . . . . 0.0 113.282 168.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.07 -13.82 62.66 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.226 3.011 . . . . 0.0 115.416 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -82.29 -69.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.122 -0.986 . . . . 0.0 109.037 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.49 -27.71 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.763 -1.21 . . . . 0.0 114.23 -159.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -72.73 -37.52 67.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.193 -0.942 . . . . 0.0 111.353 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -4.23 44.94 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.935 2.494 . . . . 0.0 116.825 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.01 157.56 19.42 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.362 -1.461 . . . . 0.0 108.433 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -114.6 -177.07 3.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.37 -36.04 71.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.738 -1.851 . . . . 0.0 110.914 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -50.65 -47.66 58.49 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 125.783 2.706 . . . . 0.0 112.91 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.28 -38.3 68.82 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.725 2.81 . . . . 0.0 113.105 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -52.9 -50.66 63.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.002 -1.061 . . . . 0.0 112.247 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -62.91 -55.98 21.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.879 1.672 . . . . 0.0 110.557 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.9 m -38.97 -53.21 1.77 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 131.659 3.984 . . . . 0.0 115.959 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -45.54 83.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 124.499 2.095 . . . . 0.0 112.014 -174.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.88 -58.59 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 110.878 -2.874 . . . . 0.0 109.851 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -43.83 81.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -176.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -71.58 -45.69 61.48 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.301 -1.499 . . . . 0.0 113.432 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.88 63.38 0.92 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 110.423 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.32 -29.16 66.93 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.796 -1.19 . . . . 0.0 112.288 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -54.99 -45.31 75.03 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.15 1.78 . . . . 0.0 112.749 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.34 -31.27 57.32 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 124.362 0.982 . . . . 0.0 114.234 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.15 -55.89 14.12 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 118.196 0.998 . . . . 0.0 111.231 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.86 -41.94 83.46 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 113.112 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.36 -57.7 7.07 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.066 1.317 . . . . 0.0 114.907 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.62 -30.44 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 119.18 1.49 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -62.23 -38.14 88.06 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.203 -1.561 . . . . 0.0 112.474 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -66.95 -41.83 86.26 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.391 -1.443 . . . . 0.0 113.375 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.8 t80 -59.81 -47.23 86.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.712 1.205 . . . . 0.0 111.191 172.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.76 -52.86 54.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.884 2.074 . . . . 0.0 115.515 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.33 -30.86 66.7 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.552 -1.343 . . . . 0.0 113.568 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.9 ttm -89.04 -42.73 11.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -87.12 -74.15 0.45 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.553 -1.342 . . . . 0.0 111.532 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.24 139.44 2.75 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.393 -1.323 . . . . 0.0 109.758 -167.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -92.28 121.43 33.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.149 -1.594 . . . . 0.0 109.937 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 tttm . . . . . 0 N--CA 1.429 -1.488 0 O-C-N 120.202 -1.561 . . . . 0.0 109.299 166.558 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.429 -1.48 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -107.28 166.59 10.52 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.217 -1.552 . . . . 0.0 107.323 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -71.66 -16.01 62.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.629 -1.919 . . . . 0.0 113.47 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.08 -57.35 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 126.16 1.784 . . . . 0.0 109.872 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -54.02 -43.92 70.53 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 125.925 1.69 . . . . 0.0 112.465 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -53.59 -64.86 0.69 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.156 1.382 . . . . 0.0 111.861 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 97.0 t -81.16 -28.65 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 121.797 2.09 . . . . 0.0 112.584 -171.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -72.16 -12.34 61.14 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.668 -1.895 . . . . 0.0 113.386 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -76.33 -48.49 19.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.873 162.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -47.44 -46.73 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 121.81 2.095 . . . . 0.0 114.8 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -53.99 -56.35 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.898 2.079 . . . . 0.0 111.294 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 m -64.27 -58.78 5.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.57 -1.956 . . . . 0.0 114.618 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.271 6.6 m -50.16 -35.13 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 175.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.68 -32.63 64.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.104 -2.248 . . . . 0.0 114.332 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 p -73.93 -39.67 63.62 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 123.719 0.807 . . . . 0.0 112.194 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.91 -44.81 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.602 1.561 . . . . 0.0 112.772 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -54.17 14.29 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.412 -1.43 . . . . 0.0 111.072 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 19' ' ' ILE 0.344 17.1 pt -67.54 -41.72 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 -168.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 6.7 mtpt -51.03 -63.68 1.05 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -154.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -115.8 68.53 0.72 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.076 0.95 . . . . 0.0 111.752 165.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -153.04 -94.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.186 -1.571 . . . . 0.0 112.28 167.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -119.83 125.38 48.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.215 1.806 . . . . 0.0 113.633 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -92.54 -27.12 17.58 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 127.822 2.449 . . . . 0.0 111.798 168.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -46.45 -49.85 17.64 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.641 1.976 . . . . 0.0 115.791 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -47.55 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.892 -1.13 . . . . 0.0 113.983 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.261 3.6 p -66.94 -16.52 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.24 -36.74 82.28 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.445 -2.035 . . . . 0.0 112.471 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -108.14 102.9 12.02 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.393 -1.442 . . . . 0.0 109.314 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -50.41 -51.07 49.64 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -162.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.47 -44.87 3.04 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.656 3.182 . . . . 0.0 114.402 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -69.46 -36.83 76.96 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 124.111 1.91 . . . . 0.0 110.456 -177.399 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -75.3 -36.74 61.1 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.953 -1.717 . . . . 0.0 110.766 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -51.86 -42.73 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.574 1.549 . . . . 0.0 113.095 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASN . . . -58.03 -45.98 86.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 131.05 3.74 . . . . 0.0 112.962 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.73 -51.72 68.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 131.356 3.862 . . . . 0.0 114.359 160.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.95 -49.55 77.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.112 3.142 . . . . 0.0 114.549 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -34.81 -43.72 0.19 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 130.856 3.662 . . . . 0.0 114.633 158.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.24 -42.9 96.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.724 1.725 . . . . 0.0 113.794 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.28 -38.04 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 128.505 2.722 . . . . 0.0 110.081 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.24 19.73 5.4 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 125.712 1.625 . . . . 0.0 114.098 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 42' ' ' VAL . 23.2 t -49.41 114.37 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.79 2.036 . . . . 0.0 113.281 150.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -152.73 -175.06 5.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.707 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 5.8 p-80 -132.81 -118.99 0.2 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.707 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 75.4 mt-10 -75.87 59.14 1.21 Allowed 'General case' 0 N--CA 1.43 -1.443 1 C-N-CA 132.894 4.478 . . . . 0.0 111.943 172.572 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.2 82.31 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 125.266 1.412 . . . . 0.0 113.283 166.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -128.44 156.44 43.2 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 130.686 3.594 . . . . 0.0 108.358 -175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -46.46 163.23 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.298 2.239 . . . . 0.0 114.996 172.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 tp -85.14 113.2 21.34 Favored 'General case' 0 N--CA 1.429 -1.524 0 O-C-N 117.924 -2.985 . . . . 0.0 110.61 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.55 -173.2 3.68 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.968 1.842 . . . . 0.0 114.982 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -47.24 15.15 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 128.409 2.684 . . . . 0.0 114.717 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -69.83 -44.52 69.77 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.743 2.017 . . . . 0.0 115.556 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -37.49 -34.46 0.1 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 131.411 3.884 . . . . 0.0 116.336 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -14.56 17.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.634 1.174 . . . . 0.0 113.775 -178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -72.09 -33.3 67.76 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 124.842 1.257 . . . . 0.0 111.334 168.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.44 -40.37 95.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.409 -2.682 . . . . 0.0 111.051 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 8' ' ' VAL . 46.2 mt -55.42 -69.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.12 -41.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.92 3.688 . . . . 0.0 117.651 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -57.09 -54.58 45.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.775 2.03 . . . . 0.0 113.013 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -79.99 5.31 14.38 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.772 1.629 . . . . 0.0 114.743 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -92.17 115.48 28.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -172.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -82.0 168.66 17.61 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 108.787 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -60.58 -35.16 75.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.873 -1.767 . . . . 0.0 110.725 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.75 -50.71 68.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.865 1.666 . . . . 0.0 111.077 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -54.82 -51.72 64.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.256 1.422 . . . . 0.0 113.948 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -54.98 -54.27 45.07 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.309 1.844 . . . . 0.0 111.591 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.29 -42.58 92.98 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.695 -1.253 . . . . 0.0 109.384 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -76.43 -20.69 56.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.782 1.233 . . . . 0.0 110.724 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tt -76.96 -52.31 9.62 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.3 mm -77.53 -11.04 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 122.745 1.259 . . . . 0.0 109.909 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.01 -39.65 79.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.054 -2.278 . . . . 0.0 111.408 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.75 -47.72 16.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.204 1.001 . . . . 0.0 111.771 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -129.76 96.61 4.28 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.269 1.033 . . . . 0.0 109.249 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -76.66 -41.14 46.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -45.77 -42.24 11.8 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 128.785 2.834 . . . . 0.0 116.793 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.56 -46.97 44.52 Favored Glycine 0 N--CA 1.429 -1.801 0 O-C-N 120.492 -1.38 . . . . 0.0 112.707 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -64.62 -50.24 67.91 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.857 1.263 . . . . 0.0 112.116 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -63.57 -28.2 69.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.37 -55.71 17.01 Favored Glycine 0 N--CA 1.429 -1.806 0 O-C-N 120.539 -1.35 . . . . 0.0 112.716 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.252 34.2 m -69.03 -42.47 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 121.886 -0.773 . . . . 0.0 112.974 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.01 -46.85 84.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.792 -1.193 . . . . 0.0 113.049 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.36 -35.71 61.08 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.768 -1.208 . . . . 0.0 113.663 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HA ' ' A' ' 20' ' ' LYS . 7.4 t80 -64.14 -48.65 75.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.951 -1.093 . . . . 0.0 111.189 172.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.7 -27.17 62.85 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.26 -1.525 . . . . 0.0 114.156 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.97 -49.44 60.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.388 -1.445 . . . . 0.0 114.219 166.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.9 mtp -95.19 -6.02 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.581 1.152 . . . . 0.0 113.096 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -108.72 -76.38 0.61 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 120.977 1.717 . . . . 0.0 107.223 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 t -158.73 122.69 3.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 117.641 -1.624 . . . . 0.0 111.243 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -89.64 153.66 20.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 123.741 1.734 . . . . 0.0 112.288 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? . . . . . 0 N--CA 1.429 -1.482 0 C-N-CA 126.357 1.863 . . . . 0.0 109.027 -159.579 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 122.821 1.296 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -98.91 147.15 25.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.177 1.391 . . . . 0.0 107.757 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -77.75 -17.77 57.21 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.16 -1.587 . . . . 0.0 112.11 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.06 -63.55 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 125.524 1.53 . . . . 0.0 113.771 163.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.36 -63.09 0.59 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.168 1.787 . . . . 0.0 115.579 167.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 m -51.33 -55.29 19.22 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.711 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -75.36 -40.49 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.195 -1.565 . . . . 0.0 109.454 -168.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -60.74 -41.19 94.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.844 -1.785 . . . . 0.0 115.248 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.55 -42.64 34.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 164.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.03 -53.71 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.428 1.091 . . . . 0.0 110.192 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.04 -58.45 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.614 2.365 . . . . 0.0 112.766 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -48.21 -69.62 0.12 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.421 -2.049 . . . . 0.0 114.191 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.66 -27.35 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.69 33.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.362 -1.461 . . . . 0.0 113.31 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -58.76 -44.97 90.74 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.292 2.237 . . . . 0.0 111.87 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.54 -37.53 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.342 2.257 . . . . 0.0 113.357 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.38 -57.68 3.74 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.582 1.153 . . . . 0.0 112.039 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 19.2 pt -66.87 -20.9 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -172.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -48.7 -67.75 0.24 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.149 2.179 . . . . 0.0 115.379 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -115.12 22.63 13.18 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.582 -1.323 . . . . 0.0 113.54 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.4 p -110.04 -81.57 0.58 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.431 -2.043 . . . . 0.0 114.247 167.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? 178.93 144.09 0.13 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.883 3.273 . . . . 0.0 102.852 -158.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -91.56 3.43 55.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.695 3.198 . . . . 0.0 113.816 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.71 -42.89 98.14 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.988 2.328 . . . . 0.0 111.959 -156.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.58 -62.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 131.181 3.793 . . . . 0.0 112.943 172.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.269 2.5 p -63.33 -31.8 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -52.96 -58.85 5.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.769 1.228 . . . . 0.0 112.498 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -100.13 84.23 2.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.393 -1.442 . . . . 0.0 109.809 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -26.67 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 120.863 3.653 . . . . 0.0 120.863 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.74 60.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.61 1.964 . . . . 0.0 112.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.45 -5.8 59.07 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 129.081 2.952 . . . . 0.0 110.499 169.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -87.96 -60.92 1.84 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.127 -2.233 . . . . 0.0 107.3 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 34' ' ' ILE . 78.5 mt -30.6 -48.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 129.714 3.205 . . . . 0.0 116.263 162.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.88 -17.92 42.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -67.78 -35.4 78.61 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 116.704 -3.747 . . . . 0.0 112.814 156.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.54 -28.04 68.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.225 -2.797 . . . . 0.0 115.687 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -74.7 -21.71 59.24 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.489 1.516 . . . . 0.0 111.38 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -53.5 57.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.379 1.561 . . . . 0.0 111.253 172.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.21 -42.82 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.382 2.273 . . . . 0.0 112.745 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.73 39.41 2.95 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 126.888 2.185 . . . . 0.0 113.783 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.32 145.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.498 1.919 . . . . 0.0 108.002 159.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -142.12 -172.35 3.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 102.89 -3.004 . . . . 0.0 102.89 164.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -115.64 -137.49 0.36 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.654 -1.279 . . . . 0.0 108.219 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.64 120.72 6.0 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.815 -1.178 . . . . 0.0 113.426 145.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.14 -27.53 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 130.553 3.93 . . . . 0.0 122.185 167.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -139.27 172.4 12.89 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.765 1.269 . . . . 0.0 107.991 -171.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.26 167.1 0.98 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.491 1.916 . . . . 0.0 112.555 156.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.2 tp -76.47 121.04 22.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.211 1.404 . . . . 0.0 110.879 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -92.53 145.0 24.78 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.484 -2.01 . . . . 0.0 108.414 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -54.76 -34.04 62.05 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.801 1.64 . . . . 0.0 115.167 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.8 -32.61 73.82 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.071 2.548 . . . . 0.0 116.087 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.3 96.5 p -72.04 -6.31 41.41 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -164.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -25.38 -44.42 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.71 3.226 . . . . 0.0 119.71 149.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -49.02 -62.18 1.67 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.67 3.188 . . . . 0.0 111.059 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -62.53 -28.53 69.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -74.91 -63.34 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 123.467 2.849 . . . . 0.0 109.098 -168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.7 -26.61 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.939 2.896 . . . . 0.0 116.059 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -71.92 -39.18 69.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.892 -1.13 . . . . 0.0 109.942 173.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.83 -38.94 36.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.493 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.5 117.52 14.27 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 121.261 1.846 . . . . 0.0 109.506 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -66.17 -173.74 0.21 Allowed 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 126.291 1.836 . . . . 0.0 112.599 -177.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' H ' HG22 ' A' ' 62' ' ' THR . 80.6 mt-30 -63.15 -33.49 75.58 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 117.285 -3.384 . . . . 0.0 112.668 162.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.78 -58.52 7.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.578 2.351 . . . . 0.0 114.431 171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.59 -37.03 84.06 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.724 1.609 . . . . 0.0 111.056 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -48.28 -61.8 1.81 Allowed 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 126.417 1.887 . . . . 0.0 112.41 164.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -67.16 -34.35 77.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.211 -1.555 . . . . 0.0 109.963 -172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.8 m -71.04 -44.69 65.28 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.831 1.652 . . . . 0.0 111.883 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -42.21 -58.42 2.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.299 2.239 . . . . 0.0 114.671 165.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.71 -42.35 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 129.161 2.984 . . . . 0.0 113.454 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.1 -49.37 77.93 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.228 -2.17 . . . . 0.0 112.813 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.18 -42.44 37.62 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.074 -1.016 . . . . 0.0 113.363 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -146.66 88.73 1.78 Allowed 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.979 -1.076 . . . . 0.0 109.98 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -77.07 -35.66 56.45 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.644 -1.91 . . . . 0.0 114.21 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -52.71 -35.67 56.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.894 2.477 . . . . 0.0 116.723 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.52 -63.44 4.48 Favored Glycine 0 N--CA 1.431 -1.685 0 O-C-N 120.704 -1.247 . . . . 0.0 113.529 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.58 -51.36 68.88 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.811 1.644 . . . . 0.0 113.857 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -78.92 -21.0 47.97 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.218 -2.176 . . . . 0.0 113.986 -169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.35 -42.51 49.18 Favored Glycine 0 N--CA 1.43 -1.758 0 O-C-N 120.329 -1.482 . . . . 0.0 112.898 167.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -68.35 -29.21 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 121.389 -1.065 . . . . 0.0 112.241 175.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.0 -43.56 73.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.389 1.476 . . . . 0.0 113.442 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -63.05 -38.59 91.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.082 -1.636 . . . . 0.0 113.964 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.6 t80 -59.87 -46.09 90.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.505 -1.372 . . . . 0.0 110.743 170.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.21 -33.61 72.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.645 -1.91 . . . . 0.0 114.55 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -65.5 -37.87 88.07 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.296 -1.503 . . . . 0.0 111.26 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.5 tpt -95.39 -37.3 11.01 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.255 1.822 . . . . 0.0 114.487 -169.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -96.72 -78.17 0.47 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.203 -1.561 . . . . 0.0 109.844 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.4 t -158.78 121.01 3.57 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 115.173 -2.611 . . . . 0.0 109.646 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -109.66 138.36 46.14 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 mttm . . . . . 0 N--CA 1.43 -1.461 0 O-C-N 119.256 -2.152 . . . . 0.0 106.702 167.477 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 121.604 0.716 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -88.67 153.07 21.4 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.969 -1.082 . . . . 0.0 112.062 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -56.3 -36.41 68.63 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.06 -1.65 . . . . 0.0 112.304 167.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.73 -51.22 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.16 2.184 . . . . 0.0 111.289 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.41 -65.81 0.38 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 129.13 2.972 . . . . 0.0 115.393 160.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 m -53.48 -51.51 62.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.826 1.648 . . . . 0.0 112.665 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.35 -45.63 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -60.85 -43.3 98.52 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 121.434 1.925 . . . . 0.0 113.259 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.96 -43.06 91.26 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.679 2.792 . . . . 0.0 115.196 170.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.11 -51.03 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 120.113 1.324 . . . . 0.0 112.51 171.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.6 -48.72 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 126.902 2.081 . . . . 0.0 112.903 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 m -57.32 -50.15 73.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.819 1.647 . . . . 0.0 112.73 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.27 -39.44 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 120.995 -1.066 . . . . 0.0 111.274 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.02 51.58 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 172.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -63.81 -38.89 92.78 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.258 1.023 . . . . 0.0 112.089 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.0 mt -58.6 -40.54 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 123.532 0.733 . . . . 0.0 112.274 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.41 -52.63 6.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 119.526 1.057 . . . . 0.0 112.216 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.683 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 27.1 pt -69.03 -29.9 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 119.128 -2.233 . . . . 0.0 116.443 -169.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -46.18 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 166.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.91 80.75 1.47 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.393 1.906 . . . . 0.0 112.868 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -166.8 -79.22 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.734 -1.229 . . . . 0.0 111.291 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.96 126.95 13.62 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.461 1.904 . . . . 0.0 109.911 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -89.05 -23.98 22.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.512 -1.368 . . . . 0.0 110.872 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -41.29 -1.59 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.422 1 C-N-CA 132.047 4.139 . . . . 0.0 119.496 151.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 33' ' ' PHE . 2.4 mt -92.66 -56.41 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.438 -2.039 . . . . 0.0 109.254 165.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 33' ' ' PHE 0.272 0.8 OUTLIER -55.97 -22.14 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 -175.977 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -41.33 -36.84 0.88 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 169.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -127.95 119.26 25.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.017 1.327 . . . . 0.0 108.478 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -30.55 -63.89 0.14 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 120.309 3.448 . . . . 0.0 120.309 166.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -25.16 67.77 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.312 -2.117 . . . . 0.0 115.236 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -74.72 -35.29 62.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.534 1.534 . . . . 0.0 109.384 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.446 ' HA ' HG22 ' A' ' 26' ' ' ILE . 9.2 t80 -68.55 -51.9 37.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 124.627 1.171 . . . . 0.0 109.465 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.63 -51.59 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.708 2.003 . . . . 0.0 112.505 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.37 -22.26 61.91 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -85.75 -17.52 35.62 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 119.512 1.051 . . . . 0.0 110.721 173.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.82 -31.09 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.769 2.028 . . . . 0.0 110.847 172.618 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.83 -39.75 94.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 118.579 -2.576 . . . . 0.0 114.624 168.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -33.48 -52.37 0.39 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 129.055 2.942 . . . . 0.0 116.256 166.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 40' ' ' ILE . 3.8 mt -50.08 -34.98 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 130.336 3.455 . . . . 0.0 115.549 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.29 43.44 0.84 Allowed Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.794 -1.191 . . . . 0.0 110.66 -172.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 37' ' ' LEU . 44.9 t -107.79 113.46 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -127.32 157.39 40.03 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 121.468 1.94 . . . . 0.0 109.556 -168.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CG ' ' H ' ' A' ' 45' ' ' GLU 0.427 1.2 p80 -111.55 -121.33 0.28 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.571 -1.33 . . . . 0.0 109.326 167.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 33.6 mt-10 -98.85 70.69 1.87 Allowed 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.163 -2.211 . . . . 0.0 108.567 -157.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 -3.47 11.84 Favored Glycine 0 N--CA 1.43 -1.708 0 O-C-N 120.035 -1.665 . . . . 0.0 116.015 -167.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -126.52 155.85 41.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.361 1.065 . . . . 0.0 109.284 -168.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.78 159.61 24.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.539 -1.351 . . . . 0.0 110.998 169.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -84.85 128.41 34.6 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.451 -1.406 . . . . 0.0 109.727 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.53 158.72 16.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.458 1.103 . . . . 0.0 109.993 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.2 -10.56 59.9 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.504 -1.372 . . . . 0.0 114.532 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -74.83 -43.15 56.13 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 111.549 171.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 m -71.06 5.27 2.15 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.224 1.809 . . . . 0.0 115.698 -174.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.07 -21.84 66.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.2 -1.563 . . . . 0.0 112.45 163.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -57.26 -53.75 54.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.187 -1.571 . . . . 0.0 112.604 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.4 -26.32 65.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.308 2.243 . . . . 0.0 115.887 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.66 -67.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.183 1.393 . . . . 0.0 111.654 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.72 -12.87 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.748 -1.22 . . . . 0.0 112.818 -157.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -72.19 -19.01 61.81 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 118.966 -2.334 . . . . 0.0 111.928 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -91.48 -17.1 26.25 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.725 . . . . 0.0 111.103 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.78 129.53 34.81 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.122 1.369 . . . . 0.0 110.23 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 63' ' ' GLN . 7.1 m -125.66 -166.58 1.57 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.208 -1.557 . . . . 0.0 107.754 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.716 ' H ' HG22 ' A' ' 62' ' ' THR . 54.2 mm-40 -77.96 -41.59 35.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 118.754 -2.466 . . . . 0.0 112.897 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -51.93 -47.49 64.66 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 124.71 2.195 . . . . 0.0 114.403 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.21 -26.4 35.95 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.291 1.837 . . . . 0.0 112.531 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -53.36 -53.17 55.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.642 1.977 . . . . 0.0 112.816 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -80.34 -30.24 38.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.124 1.77 . . . . 0.0 111.358 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.8 m -53.51 -44.02 68.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.973 1.709 . . . . 0.0 113.362 169.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.76 -57.82 7.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.657 1.983 . . . . 0.0 111.802 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mm -49.93 -52.49 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.924 2.89 . . . . 0.0 113.586 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -51.93 -42.12 62.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.36 1.464 . . . . 0.0 114.633 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.33 -47.43 42.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.983 -1.073 . . . . 0.0 113.618 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -150.52 98.22 2.61 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.7 -1.25 . . . . 0.0 111.635 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -78.43 -41.49 32.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.744 1.218 . . . . 0.0 113.67 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.85 -41.99 11.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 128.56 2.744 . . . . 0.0 117.992 -168.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.05 25.23 Favored Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.232 -1.543 . . . . 0.0 113.598 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.82 -43.61 98.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.204 1.801 . . . . 0.0 111.55 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.16 -49.83 72.77 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.518 1.927 . . . . 0.0 112.523 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.46 -54.73 19.36 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 125.969 1.747 . . . . 0.0 114.788 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.93 -17.13 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.182 -1.775 . . . . 0.0 114.088 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -67.45 -39.49 85.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.668 -1.895 . . . . 0.0 111.328 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -67.22 -31.36 71.69 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.471 -2.018 . . . . 0.0 113.234 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.683 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 6.4 t80 -64.4 -43.95 92.82 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.271 -1.518 . . . . 0.0 111.764 167.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.88 -44.68 82.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.569 2.348 . . . . 0.0 112.706 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.65 -46.06 91.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 111.701 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.5 mmm -69.67 -46.21 66.62 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -95.99 -74.17 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.097 -1.627 . . . . 0.0 115.36 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t -164.09 126.01 2.35 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 116.968 -1.893 . . . . 0.0 112.965 -160.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -111.15 125.09 53.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.921 -1.737 . . . . 0.0 107.063 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? . . . . . 0 N--CA 1.43 -1.446 0 O-C-N 120.525 -1.36 . . . . 0.0 109.413 -171.816 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 N--CA 1.429 -1.493 0 CA-C-O 121.99 0.9 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.43 149.31 26.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.348 1.459 . . . . 0.0 111.771 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.8 -34.93 73.68 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.321 -1.487 . . . . 0.0 113.61 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 69' ' ' LEU . 11.9 mt -61.35 -61.16 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.301 2.24 . . . . 0.0 113.743 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -45.76 -52.21 11.44 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 127.714 2.405 . . . . 0.0 114.924 161.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.8 m -51.41 -44.47 62.25 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.245 -2.159 . . . . 0.0 115.425 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -82.12 -33.84 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 120.643 -1.286 . . . . 0.0 110.504 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -56.25 -46.6 79.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 119.574 -1.953 . . . . 0.0 113.363 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.51 -50.17 72.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.983 2.113 . . . . 0.0 113.516 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -53.86 -53.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 125.317 1.447 . . . . 0.0 112.736 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.29 -42.65 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.007 1.723 . . . . 0.0 113.149 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 m -60.3 -54.83 41.01 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.152 1.381 . . . . 0.0 111.85 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.9 t -69.37 -41.71 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.868 -1.145 . . . . 0.0 111.772 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -28.81 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -81.8 -38.81 24.98 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.826 -1.796 . . . . 0.0 111.811 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -41.08 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.55 1.54 . . . . 0.0 112.209 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -43.23 -60.72 1.57 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.036 2.134 . . . . 0.0 116.585 165.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 19' ' ' ILE . 27.5 pt -83.19 -52.21 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -28.98 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 128.262 2.625 . . . . 0.0 116.026 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -104.84 17.74 23.59 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 122.46 2.391 . . . . 0.0 111.272 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -123.54 -75.99 0.59 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.059 -1.651 . . . . 0.0 114.102 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -142.6 107.19 4.82 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.461 -1.4 . . . . 0.0 113.862 -165.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -87.54 -24.0 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.151 -2.218 . . . . 0.0 112.109 171.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.25 7.8 p-10 -42.05 -0.2 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 130.505 3.522 . . . . 0.0 118.945 151.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mm -100.55 -56.54 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.608 -1.932 . . . . 0.0 110.089 165.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -56.16 -18.38 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 117.47 2.396 . . . . 0.0 117.47 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -49.12 -30.23 6.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 168.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -136.17 109.55 7.88 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.768 1.627 . . . . 0.0 107.054 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.41 -28.26 68.49 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.5 73.16 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 124.695 3.407 . . . . 0.0 116.212 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.34 -53.77 43.54 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.856 1.262 . . . . 0.0 111.281 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -45.07 -54.91 6.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.494 1.918 . . . . 0.0 115.41 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -55.16 -53.76 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.084 2.154 . . . . 0.0 112.517 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.13 68.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.97 -27.04 36.13 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.234 1.014 . . . . 0.0 110.865 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.4 -23.55 34.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.543 -1.348 . . . . 0.0 112.288 171.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.14 -35.35 74.01 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.199 -2.813 . . . . 0.0 113.656 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -34.12 -45.33 0.2 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 160.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mm -49.81 -34.26 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.72 2.808 . . . . 0.0 114.193 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.84 21.33 7.16 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 125.921 1.724 . . . . 0.0 111.624 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -77.11 98.04 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 124.659 1.184 . . . . 0.0 108.409 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.2 145.61 48.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.27 -1.519 . . . . 0.0 111.574 -162.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.456 1.6 p80 -109.69 -119.36 0.28 Allowed 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 117.207 -1.378 . . . . 0.0 108.593 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -105.63 75.04 1.11 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 124.285 3.221 . . . . 0.0 107.138 -167.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.04 -11.77 40.7 Favored Glycine 0 N--CA 1.43 -1.766 0 N-CA-C 118.322 2.089 . . . . 0.0 118.322 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -135.37 152.13 51.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 118.97 1.385 . . . . 0.0 110.056 -157.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.91 161.79 29.75 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.301 -1.499 . . . . 0.0 112.458 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.65 124.18 31.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.33 -2.106 . . . . 0.0 111.137 -173.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.51 144.78 32.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.106 1.762 . . . . 0.0 108.629 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.28 -27.32 64.32 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.801 -1.812 . . . . 0.0 113.404 -155.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.56 -20.72 63.59 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.909 2.884 . . . . 0.0 113.209 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -75.89 8.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -59.23 -32.78 70.28 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.89 -2.381 . . . . 0.0 114.328 165.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -62.01 -39.6 92.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.221 173.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.78 -35.83 81.88 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.518 1.927 . . . . 0.0 113.665 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -57.23 -63.92 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.251 1.02 . . . . 0.0 111.046 168.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.16 -24.05 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 121.219 -0.926 . . . . 0.0 111.377 -151.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.5 p -74.38 -37.86 63.32 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 120.977 -1.077 . . . . 0.0 111.966 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -35.69 80.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.035 1.334 . . . . 0.0 113.373 177.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 131.93 45.81 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 121.157 -0.965 . . . . 0.0 111.573 170.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.62 -178.89 3.81 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.713 -1.867 . . . . 0.0 106.276 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -53.83 -40.27 66.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.418 -1.426 . . . . 0.0 113.121 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -50.87 -53.61 30.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 124.574 2.131 . . . . 0.0 113.78 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.31 -46.11 64.9 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 129.947 3.299 . . . . 0.0 112.124 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -44.85 -53.59 7.34 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.03 2.532 . . . . 0.0 112.62 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.257 0.2 OUTLIER -73.21 -38.94 65.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.56 1.544 . . . . 0.0 110.229 176.512 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.3 m -54.18 -46.09 72.27 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.892 2.133 . . . . 0.0 114.063 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.9 pp -85.34 -22.01 28.67 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.59 -1.319 . . . . 0.0 113.072 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.59 -53.17 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.634 -1.291 . . . . 0.0 110.884 160.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.72 -58.37 4.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.191 2.996 . . . . 0.0 116.83 173.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -64.24 -36.23 83.41 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.339 0.2 OUTLIER -132.18 83.43 2.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 123.345 1.545 . . . . 0.0 111.698 172.641 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -62.39 -43.14 99.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.23 1.812 . . . . 0.0 113.425 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.63 -14.56 63.1 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.75 -53.88 17.69 Favored Glycine 0 N--CA 1.43 -1.729 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.63 -46.47 70.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.82 1.648 . . . . 0.0 112.372 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -54.56 -51.64 64.59 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.18 -28.95 57.38 Favored Glycine 0 N--CA 1.43 -1.72 0 O-C-N 119.486 -2.009 . . . . 0.0 114.841 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.42 3.8 p -75.51 -41.9 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.341 -0.929 . . . . 0.0 113.021 174.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.17 -41.37 86.08 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.045 -1.66 . . . . 0.0 112.201 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -55.09 -51.89 64.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.738 -1.226 . . . . 0.0 113.405 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -43.42 81.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.738 -1.226 . . . . 0.0 112.129 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -54.22 -41.28 68.52 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.001 -2.312 . . . . 0.0 115.316 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.12 -44.18 96.35 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.894 1.278 . . . . 0.0 112.546 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.3 mtt -60.6 -62.68 1.69 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.417 14.2 p90 -75.94 -73.6 0.26 Allowed 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.561 -1.337 . . . . 0.0 113.92 -168.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -159.65 130.51 5.85 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 122.136 2.244 . . . . 0.0 112.255 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.93 150.97 29.75 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.869 1.668 . . . . 0.0 110.281 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.417 0 O-C-N 120.958 -1.089 . . . . 0.0 108.115 -174.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -127.75 -172.7 2.74 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.136 -1.603 . . . . 0.0 108.445 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.31 -32.62 17.26 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.887 -1.758 . . . . 0.0 109.264 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.95 -48.96 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.51 0 C-N-CA 127.926 2.49 . . . . 0.0 111.256 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.31 -53.14 5.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.619 1.968 . . . . 0.0 115.436 158.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -52.2 -67.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 122.354 2.343 . . . . 0.0 113.021 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.451 HG21 HD11 ' A' ' 61' ' ' LEU . 58.9 t -56.88 -37.64 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 117.042 2.238 . . . . 0.0 117.042 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -67.09 -33.01 74.56 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.622 -1.924 . . . . 0.0 113.898 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -62.84 -53.26 56.97 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.898 2.079 . . . . 0.0 112.187 169.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -42.47 -54.78 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.324 15.1 tt -68.86 -49.12 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.748 2.819 . . . . 0.0 112.357 -175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m -65.61 -48.29 72.78 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.933 -1.73 . . . . 0.0 113.783 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.49 -47.37 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.157 1.383 . . . . 0.0 111.229 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.25 24.72 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 168.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -66.32 -42.46 88.19 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.339 1.456 . . . . 0.0 110.005 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.92 -39.4 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 124.725 1.21 . . . . 0.0 112.927 172.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -87.21 -46.37 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 120.763 1.619 . . . . 0.0 113.549 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 31.4 pt -71.89 -23.15 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 123.387 2.812 . . . . 0.0 117.614 -168.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -67.24 -55.39 14.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.736 -1.227 . . . . 0.0 111.164 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -115.92 80.2 1.41 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.516 2.326 . . . . 0.0 111.967 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -173.37 -94.93 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.75 1.22 . . . . 0.0 109.786 161.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -130.88 139.08 50.08 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.532 1.933 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 -23.18 22.62 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.628 1.104 . . . . 0.0 110.675 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -40.13 -40.72 1.14 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -42.27 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 118.587 -2.571 . . . . 0.0 112.356 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.331 0.5 OUTLIER -73.61 -41.52 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.056 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 121.278 3.807 . . . . 0.0 121.278 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -148.21 88.23 1.64 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 168.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -27.2 -38.07 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 120.479 3.511 . . . . 0.0 120.479 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.75 -44.2 2.15 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 168.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.48 -50.85 27.49 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 128.523 2.729 . . . . 0.0 113.531 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -43.72 -46.59 7.59 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 166.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -53.56 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.197 2.199 . . . . 0.0 107.518 -173.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -19.22 63.46 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 39' ' ' GLU . 16.8 t80 -80.84 -12.23 59.46 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 123.162 2.71 . . . . 0.0 111.568 168.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.23 -25.44 39.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.999 -1.063 . . . . 0.0 113.018 161.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.74 -42.81 97.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.096 -2.253 . . . . 0.0 112.233 165.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 36' ' ' PHE . 2.3 tt0 -41.17 -50.16 3.53 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 162.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mt -55.49 -40.44 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 13.88 21.56 Favored Glycine 0 N--CA 1.429 -1.804 0 N-CA-C 116.189 1.236 . . . . 0.0 116.189 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.3 1.0 OUTLIER -56.87 108.5 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-O 124.573 2.13 . . . . 0.0 114.269 167.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.1 p -109.07 144.19 37.42 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.598 2.142 . . . . 0.0 112.811 168.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -108.15 -164.53 0.97 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.313 3.045 . . . . 0.0 106.062 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.56 111.71 0.63 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.956 1.707 . . . . 0.0 114.847 -171.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.52 -7.66 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 129.484 3.421 . . . . 0.0 120.792 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -141.15 153.22 45.26 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 120.423 2.111 . . . . 0.0 112.091 -158.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -51.41 142.09 14.24 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.729 -1.857 . . . . 0.0 114.724 164.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.58 112.75 8.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 118.975 -2.328 . . . . 0.0 112.565 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.34 171.0 15.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.941 1.696 . . . . 0.0 113.92 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.79 -43.61 68.32 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.588 2.137 . . . . 0.0 109.535 -170.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -74.32 -8.64 56.94 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 130.921 3.688 . . . . 0.0 113.795 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -67.97 -2.32 7.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.289 -1.507 . . . . 0.0 113.629 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.28 -23.88 59.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.316 1.446 . . . . 0.0 111.309 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -54.55 44.86 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.459 -2.026 . . . . 0.0 113.779 168.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -44.96 -54.83 6.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 128.252 2.621 . . . . 0.0 116.486 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.259 21.0 mm -42.89 -69.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.221 2.608 . . . . 0.0 111.495 163.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 p -71.18 -28.29 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 123.779 2.99 . . . . 0.0 111.88 -161.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -72.68 -51.84 17.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.911 -1.743 . . . . 0.0 113.507 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.36 -36.19 2.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 167.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD11 HG21 ' A' ' 8' ' ' VAL . 75.7 mt -83.42 103.49 12.83 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 125.986 1.714 . . . . 0.0 113.437 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.0 p -94.4 -158.7 0.65 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.908 -1.745 . . . . 0.0 111.347 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.58 -34.8 78.62 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.231 -1.543 . . . . 0.0 110.781 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -49.19 -46.86 46.16 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.843 2.057 . . . . 0.0 114.489 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -55.56 18.19 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.519 1.128 . . . . 0.0 109.609 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -53.74 -53.94 45.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.719 2.2 . . . . 0.0 110.694 -152.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -80.55 -28.74 37.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 130.158 3.383 . . . . 0.0 110.659 -174.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.8 m -61.24 -49.43 77.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 121.328 1.876 . . . . 0.0 112.306 170.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.07 -61.33 2.1 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.199 1.8 . . . . 0.0 113.823 -167.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -22.4 -56.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 129.115 2.966 . . . . 0.0 117.976 142.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.23 -44.07 66.06 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.602 3.364 . . . . 0.0 113.114 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.98 -45.62 66.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.189 1.396 . . . . 0.0 113.597 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -134.22 99.68 4.47 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.529 -1.357 . . . . 0.0 109.138 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.28 -41.94 47.17 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 110.33 -172.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.44 -36.82 71.89 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 127.816 2.446 . . . . 0.0 116.143 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -44.08 98.3 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 113.025 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.16 -52.66 38.79 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.356 1.062 . . . . 0.0 111.079 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -48.43 -53.1 19.07 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.588 2.355 . . . . 0.0 114.489 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.6 -35.99 92.76 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 116.426 1.33 . . . . 0.0 116.426 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.96 -30.75 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 119.522 1.661 . . . . 0.0 111.811 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.52 -46.13 89.75 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.046 1.738 . . . . 0.0 112.407 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -67.06 -44.93 78.86 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.781 1.232 . . . . 0.0 113.591 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.1 t80 -59.26 -56.86 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.614 1.166 . . . . 0.0 112.238 176.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.13 -32.04 73.46 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.545 -1.347 . . . . 0.0 114.032 -169.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.78 -43.27 76.05 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 123.99 0.916 . . . . 0.0 112.177 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.0 mtt -78.22 -39.28 40.95 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 113.509 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -78.15 -71.96 0.4 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.442 -1.412 . . . . 0.0 113.665 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.322 3.5 t -144.2 -53.43 0.33 Allowed 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 116.047 -2.261 . . . . 0.0 116.735 -147.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -113.75 99.35 7.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.182 -1.574 . . . . 0.0 110.583 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 N--CA 1.43 -1.456 0 O-C-N 120.495 -1.378 . . . . 0.0 110.203 173.413 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.5 m120 . . . . . 0 N--CA 1.43 -1.439 0 CA-C-O 122.577 1.18 . . . . 0.0 108.08 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -123.07 91.74 3.55 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 124.61 1.164 . . . . 0.0 108.847 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -72.34 -28.75 63.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.534 -1.354 . . . . 0.0 113.05 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 tt -73.62 -25.1 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 121.237 1.835 . . . . 0.0 113.722 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.41 -28.44 62.97 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 118.375 -2.703 . . . . 0.0 113.985 164.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.466 HG23 ' CE1' ' A' ' 44' ' ' HIS . 20.5 m -61.8 -44.51 96.72 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 117.215 -3.428 . . . . 0.0 113.263 167.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 11' ' ' ILE . 92.5 t -70.44 -52.9 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.703 3.201 . . . . 0.0 116.693 -177.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -57.36 -36.57 71.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.556 -1.965 . . . . 0.0 113.909 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 7.9 mt-10 -60.76 -35.16 75.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 164.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 8' ' ' VAL . 13.2 mm -67.68 -41.49 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-N 122.834 2.561 . . . . 0.0 110.309 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.76 -41.85 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 121.08 -1.012 . . . . 0.0 109.611 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -66.58 -59.04 3.98 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.019 1.328 . . . . 0.0 112.426 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.97 -39.74 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.778 1.231 . . . . 0.0 112.827 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.21 67.81 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.136 -1.603 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -64.24 -52.98 56.09 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.118 -0.989 . . . . 0.0 111.265 170.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.1 mt -42.25 -51.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 127.348 2.259 . . . . 0.0 113.936 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -70.62 -34.85 72.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.181 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 83' ' ' TYR . 12.1 pt -79.91 -48.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 122.467 2.394 . . . . 0.0 114.327 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -30.62 -74.28 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.973 2.909 . . . . 0.0 117.189 169.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -114.74 18.29 16.66 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.377 -1.452 . . . . 0.0 114.219 -175.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -133.34 -94.26 0.32 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.576 -1.327 . . . . 0.0 112.942 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -136.85 116.48 12.94 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 -167.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.03 -36.33 56.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.372 -2.08 . . . . 0.0 113.879 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.88 -30.5 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 129.582 3.153 . . . . 0.0 118.38 162.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -21.06 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 124.929 3.513 . . . . 0.0 114.109 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.8 -22.49 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.862 -1.149 . . . . 0.0 113.817 -174.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.42 -7.05 12.11 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -173.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -148.38 116.02 6.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.333 1.053 . . . . 0.0 110.025 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -26.26 -65.24 0.06 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.87 2.868 . . . . 0.0 116.345 168.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.04 66.92 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 124.975 3.534 . . . . 0.0 118.049 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.34 -20.5 28.21 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.648 -1.282 . . . . 0.0 110.442 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -80.02 -44.8 19.52 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.038 1.335 . . . . 0.0 108.236 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -49.59 -54.01 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 126.592 1.957 . . . . 0.0 111.779 164.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.16 22.59 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 18' ' ' LEU . 36.9 t80 -75.77 -29.28 58.74 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.951 -2.343 . . . . 0.0 110.835 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.97 -14.64 60.23 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.307 1.843 . . . . 0.0 110.605 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.95 -21.47 27.87 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.063 -2.273 . . . . 0.0 108.275 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.87 -53.35 33.17 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.083 1.753 . . . . 0.0 112.487 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.88 -34.85 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 126.25 1.82 . . . . 0.0 115.79 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.02 42.44 1.94 Allowed Glycine 0 N--CA 1.429 -1.818 0 O-C-N 120.937 -1.102 . . . . 0.0 114.211 -175.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 112.07 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 121.618 -0.93 . . . . 0.0 111.776 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -120.42 149.31 42.56 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.059 -1.651 . . . . 0.0 107.667 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' A' ' 7' ' ' THR . 27.3 m80 -133.15 -119.81 0.19 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.997 -1.689 . . . . 0.0 110.086 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.93 58.79 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.756 2.422 . . . . 0.0 116.857 -174.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.05 -27.4 8.31 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 126.858 2.17 . . . . 0.0 113.55 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -124.35 -168.73 1.85 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.165 1.482 . . . . 0.0 112.534 -167.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -81.22 169.25 17.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.324 1.85 . . . . 0.0 107.698 166.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.82 108.49 19.17 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.852 -1.78 . . . . 0.0 110.24 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -108.38 136.03 48.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.24 1.416 . . . . 0.0 110.365 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -76.7 -14.44 59.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.337 -2.102 . . . . 0.0 115.181 -160.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -75.19 -16.47 60.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.568 -1.333 . . . . 0.0 111.846 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 m -88.37 8.88 25.5 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.261 1.425 . . . . 0.0 112.208 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.32 -29.39 70.47 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.468 -2.02 . . . . 0.0 112.264 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -39.79 -46.56 1.95 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.116 -2.24 . . . . 0.0 116.86 157.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -83.25 -19.17 36.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.515 -1.365 . . . . 0.0 111.281 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.48 -75.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 124.276 1.03 . . . . 0.0 109.192 163.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.1 -10.35 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 118.842 -2.411 . . . . 0.0 114.397 -164.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 m -90.65 -23.33 20.8 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.39 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -97.51 -15.95 20.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 122.915 2.598 . . . . 0.0 114.565 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 8' ' ' VAL . 90.7 mt -63.89 137.01 57.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.448 1.099 . . . . 0.0 110.975 159.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -102.34 -168.4 1.53 Allowed 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -55.15 -53.31 57.56 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.533 -1.98 . . . . 0.0 115.37 159.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.34 -26.05 65.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.071 2.669 . . . . 0.0 113.212 -158.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.01 -44.83 94.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 128.338 2.655 . . . . 0.0 111.659 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.69 -56.67 17.2 Favored 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 124.929 1.292 . . . . 0.0 110.844 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.06 -45.83 68.27 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -41.16 -51.91 3.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 161.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.8 -26.77 18.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 120.724 -1.235 . . . . 0.0 113.336 -171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.3 mt -43.97 -71.05 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 O-C-N 119.19 -2.194 . . . . 0.0 114.206 151.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -46.55 -64.43 0.76 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.404 3.082 . . . . 0.0 117.431 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.6 -40.67 88.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.13 -1.606 . . . . 0.0 113.741 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.31 53.68 0.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.305 -1.497 . . . . 0.0 110.287 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.55 -40.11 77.04 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.532 1.533 . . . . 0.0 112.202 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.05 -27.64 69.25 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.028 -1.67 . . . . 0.0 113.907 172.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -38.08 62.29 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.013 1.292 . . . . 0.0 112.57 171.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.16 -42.68 99.0 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.364 1.466 . . . . 0.0 112.379 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.51 -59.68 4.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.998 1.319 . . . . 0.0 114.094 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.19 -30.68 55.3 Favored Glycine 0 N--CA 1.43 -1.742 0 C-N-CA 125.258 1.408 . . . . 0.0 116.615 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.305 3.5 p -87.16 -33.23 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 123.577 0.751 . . . . 0.0 112.104 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.3 -48.89 79.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.237 1.815 . . . . 0.0 112.99 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -60.98 -41.04 95.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.737 -1.227 . . . . 0.0 112.739 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' CE1' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -64.86 -40.57 95.35 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.061 -1.024 . . . . 0.0 111.948 172.417 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.29 -24.54 66.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.13 -2.231 . . . . 0.0 116.264 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.83 -39.08 70.01 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.366 -1.458 . . . . 0.0 112.385 166.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.8 mtp -57.79 -67.71 0.31 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.299 1.9 p90 -82.18 -75.74 0.29 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -161.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -167.35 160.65 13.6 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 122.576 2.444 . . . . 0.0 110.585 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -101.52 97.51 7.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.099 0.952 . . . . 0.0 109.441 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? . . . . . 0 N--CA 1.43 -1.453 0 O-C-N 120.391 -1.443 . . . . 0.0 110.965 171.451 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 N--CA 1.431 -1.403 0 CA-C-O 121.722 0.772 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.24 -176.93 0.16 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.426 2.29 . . . . 0.0 113.756 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.09 -21.22 27.78 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.198 -2.188 . . . . 0.0 108.818 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.31 -41.69 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.97 1.708 . . . . 0.0 108.249 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -55.03 -63.06 1.27 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.022 1.729 . . . . 0.0 111.992 165.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 m -42.16 -46.14 4.28 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.29 -36.59 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.54 -1.35 . . . . 0.0 110.619 -168.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -72.51 -18.67 61.63 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.965 -1.084 . . . . 0.0 111.982 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -66.17 -52.51 47.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.026 -1.671 . . . . 0.0 112.268 164.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.99 -52.48 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.726 -1.234 . . . . 0.0 112.935 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.29 -40.32 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.493 1.517 . . . . 0.0 112.665 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.4 m -65.87 -55.85 14.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.179 -1.576 . . . . 0.0 112.073 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.27 -43.54 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.2 -1.563 . . . . 0.0 111.72 -174.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.1 -43.69 51.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.587 1.555 . . . . 0.0 114.91 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -71.02 -38.15 72.6 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 124.52 1.128 . . . . 0.0 112.195 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.09 -31.37 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.02 1.728 . . . . 0.0 111.906 173.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.72 -60.24 2.54 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.303 1.441 . . . . 0.0 112.82 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -83.02 -19.89 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -163.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.45 -71.53 0.07 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.587 1.54 . . . . 0.0 114.106 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.58 63.6 0.61 Allowed 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.622 -1.299 . . . . 0.0 111.153 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 m -126.7 -94.59 0.46 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -146.65 144.92 29.83 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.346 1.858 . . . . 0.0 107.446 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.96 -13.27 39.34 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 121.097 1.771 . . . . 0.0 112.282 162.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.09 -38.25 37.65 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.372 2.269 . . . . 0.0 114.454 174.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 pt -67.17 -37.01 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 126.226 1.81 . . . . 0.0 114.105 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.02 -39.15 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.3 -1.5 . . . . 0.0 111.082 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -53.27 -38.78 63.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.721 2.408 . . . . 0.0 117.006 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -121.41 90.53 3.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 101.303 -3.591 . . . . 0.0 101.303 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -71.68 -13.38 61.72 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.028 -2.295 . . . . 0.0 115.042 -155.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.22 -54.83 1.76 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.17 1.788 . . . . 0.0 114.452 161.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -47.98 -44.43 30.51 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 120.319 3.452 . . . . 0.0 120.319 163.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.94 -37.38 72.85 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.989 2.516 . . . . 0.0 112.373 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.07 -38.58 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.72 80.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.12 -36.02 2.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 156.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.17 -22.92 41.44 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 123.969 3.077 . . . . 0.0 116.054 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.96 -55.94 25.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.011 -2.305 . . . . 0.0 113.859 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -37.91 -61.54 0.63 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.261 2.689 . . . . 0.0 118.261 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 40' ' ' ILE . 4.2 mt -48.33 -39.43 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.068 2.147 . . . . 0.0 114.088 176.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.41 36.03 2.75 Favored Glycine 0 N--CA 1.43 -1.754 0 C-N-CA 125.159 1.362 . . . . 0.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.41 113.69 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.888 -1.36 . . . . 0.0 112.586 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.9 p -113.22 154.22 27.09 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.036 -2.29 . . . . 0.0 113.715 -172.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -109.98 -140.11 0.38 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 155.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.261 0.8 OUTLIER -67.82 89.23 0.27 Allowed 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.419 1.009 . . . . 0.0 112.19 -178.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.99 -25.57 2.58 Favored Glycine 0 N--CA 1.43 -1.757 0 C-N-CA 125.669 1.604 . . . . 0.0 117.102 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -121.94 158.81 28.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.656 -1.496 . . . . 0.0 109.63 -162.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.89 172.81 9.24 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.11 -1.618 . . . . 0.0 111.531 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 tp -91.18 140.54 29.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.256 -2.153 . . . . 0.0 111.096 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -113.63 -171.44 1.89 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.544 1.938 . . . . 0.0 107.168 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -74.4 -51.97 13.45 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 123.453 1.597 . . . . 0.0 109.498 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -61.19 -31.57 71.32 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 130.286 3.434 . . . . 0.0 113.805 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -58.99 -3.04 0.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.81 -22.82 53.06 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.198 -1.564 . . . . 0.0 112.746 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -46.44 60.72 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.382 1.873 . . . . 0.0 113.084 161.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -56.86 -59.99 4.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 119.979 1.263 . . . . 0.0 112.877 171.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mm -40.24 -63.91 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.504 2.721 . . . . 0.0 114.426 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.01 -14.44 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.813 -1.805 . . . . 0.0 113.16 -170.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -65.1 -48.93 71.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.484 -1.385 . . . . 0.0 112.746 165.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -79.23 -13.11 59.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -172.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.8 120.66 29.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.231 1.412 . . . . 0.0 110.623 -174.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -105.36 -174.67 2.59 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 122.743 1.258 . . . . 0.0 111.405 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -55.51 -47.33 76.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.751 2.02 . . . . 0.0 114.046 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.22 -53.82 25.41 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.33 2.252 . . . . 0.0 115.767 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.21 -51.06 70.87 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.797 2.439 . . . . 0.0 111.116 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.93 -38.14 90.0 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-O 122.364 1.078 . . . . 0.0 111.101 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -40.56 63.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.223 1.409 . . . . 0.0 111.172 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.4 m -56.23 -39.76 73.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 127.096 2.158 . . . . 0.0 113.991 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.88 -67.08 0.46 Allowed 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.531 1.532 . . . . 0.0 112.452 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.9 mt -42.68 -48.48 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.935 2.894 . . . . 0.0 115.421 170.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.43 -39.77 64.63 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.06 -39.99 16.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.818 -1.176 . . . . 0.0 112.68 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -106.36 76.5 1.15 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.993 2.117 . . . . 0.0 110.272 -168.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -83.14 -71.12 0.51 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.389 -1.444 . . . . 0.0 112.038 -165.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -75.04 -9.48 58.58 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.878 1.271 . . . . 0.0 112.364 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.46 -47.63 41.58 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.705 -1.247 . . . . 0.0 112.65 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -67.62 -51.11 54.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 124.892 1.277 . . . . 0.0 111.765 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.57 -23.1 62.54 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.096 -1.628 . . . . 0.0 114.375 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.28 -49.99 69.2 Favored Glycine 0 N--CA 1.43 -1.736 0 O-C-N 121.13 -0.981 . . . . 0.0 111.342 172.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.17 -27.26 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.576 -1.543 . . . . 0.0 114.449 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.84 -40.52 76.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.572 -1.33 . . . . 0.0 112.611 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -60.47 -47.13 87.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 172.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -43.22 99.35 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.57 -1.331 . . . . 0.0 111.607 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.82 -50.98 70.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -68.41 -26.23 65.44 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.81 -1.182 . . . . 0.0 114.06 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -68.85 0.38 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 165.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.296 0.0 OUTLIER -79.42 -72.33 0.4 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 123.518 2.872 . . . . 0.0 115.745 -163.298 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t -169.84 135.39 1.43 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 -156.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -98.41 83.96 3.13 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -166.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.429 -1.478 0 O-C-N 120.705 -1.247 . . . . 0.0 107.87 -172.434 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 N--CA 1.43 -1.442 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -86.06 80.7 8.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.108 -1.62 . . . . 0.0 108.512 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -34.18 -57.4 0.48 Allowed 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 129.243 3.017 . . . . 0.0 116.004 169.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -34.43 -56.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 159.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.21 -25.31 66.05 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 130.008 3.323 . . . . 0.0 113.46 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.6 m -74.62 -43.4 55.64 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.548 -1.97 . . . . 0.0 109.336 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.47 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 120.997 -1.065 . . . . 0.0 113.691 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.44 3.8 ppt_? -55.2 -28.19 51.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.26 -42.9 92.8 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.587 -1.946 . . . . 0.0 113.657 165.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -75.08 -29.55 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.775 2.08 . . . . 0.0 108.683 -172.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.21 -38.54 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.756 -1.215 . . . . 0.0 111.403 171.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -68.6 -58.85 3.67 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.848 1.659 . . . . 0.0 111.831 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.76 -37.95 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 O-C-N 120.826 -1.171 . . . . 0.0 112.711 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.23 -63.53 0.97 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 159.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -57.81 -41.75 82.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.148 -1.595 . . . . 0.0 114.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.97 -44.46 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 124.822 1.249 . . . . 0.0 113.222 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.67 -63.84 1.01 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.448 1.499 . . . . 0.0 113.915 170.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 35.2 pt -72.12 -21.68 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.645 -1.285 . . . . 0.0 114.22 -172.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.83 -57.37 10.44 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -115.66 19.8 15.06 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.7 p -138.43 -96.77 0.18 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.171 2.26 . . . . 0.0 111.91 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 118.8 14.5 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.722 1.601 . . . . 0.0 114.277 -165.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.04 -28.46 68.24 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.65 2.38 . . . . 0.0 117.166 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.91 -4.57 21.08 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -84.28 -32.89 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 C-N-CA 125.651 1.58 . . . . 0.0 112.069 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.51 -16.06 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.77 -1.831 . . . . 0.0 113.149 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -38.61 -59.91 0.87 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 155.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -102.25 101.05 11.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 122.449 2.386 . . . . 0.0 107.036 161.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.28 87.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.653 1.181 . . . . 0.0 113.958 -162.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.79 -22.64 25.57 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -85.83 -10.32 55.6 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.629 -1.919 . . . . 0.0 112.614 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.61 -42.89 57.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.054 -2.279 . . . . 0.0 109.538 167.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -53.35 -36.08 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 125.82 1.648 . . . . 0.0 112.906 168.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.7 -38.01 2.92 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 118.971 -2.331 . . . . 0.0 116.279 156.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.09 -38.76 31.04 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.17 -2.206 . . . . 0.0 114.38 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -43.04 -34.88 1.1 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.359 2.263 . . . . 0.0 114.002 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.53 -38.66 45.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.047 2.539 . . . . 0.0 115.997 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mt -86.66 -40.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.929 2.092 . . . . 0.0 108.952 -170.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.13 42.77 0.69 Allowed Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 124.554 1.073 . . . . 0.0 114.659 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -54.16 107.08 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 127.366 2.266 . . . . 0.0 114.805 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.3 p -123.76 150.34 44.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.557 -1.965 . . . . 0.0 111.888 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.274 0.5 OUTLIER -121.9 -135.35 0.31 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 116.041 -1.933 . . . . 0.0 107.624 168.389 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -72.18 60.31 0.42 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 122.25 2.296 . . . . 0.0 115.612 -166.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.98 -31.11 9.03 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 127.611 2.529 . . . . 0.0 114.198 -171.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -121.61 177.82 5.08 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 122.294 3.047 . . . . 0.0 113.84 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -70.77 157.11 38.62 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.286 2.635 . . . . 0.0 110.362 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.37 124.89 34.86 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 123.873 0.869 . . . . 0.0 108.879 -176.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -107.54 -172.84 2.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.479 1.911 . . . . 0.0 108.882 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.56 -41.05 16.84 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.064 -2.272 . . . . 0.0 109.53 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -58.62 -10.22 2.14 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 170.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -18.12 63.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 130.181 3.392 . . . . 0.0 117.343 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.85 -55.55 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -40.38 -52.76 2.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.333 2.253 . . . . 0.0 115.877 170.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -62.06 -43.48 98.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 129.761 3.225 . . . . 0.0 112.378 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.92 -48.83 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 122.699 1.237 . . . . 0.0 110.381 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.49 -43.78 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.742 1.617 . . . . 0.0 112.543 -164.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -11.41 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.103 3.371 . . . . 0.0 120.103 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -109.74 -26.65 9.74 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.35 1.46 . . . . 0.0 114.139 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.03 138.63 55.99 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 129.045 2.938 . . . . 0.0 113.03 164.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -124.69 -160.36 0.94 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 102.553 -3.129 . . . . 0.0 102.553 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.584 2.447 . . . . 0.0 115.456 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -34.9 -56.47 0.56 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 154.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -60.76 2.8 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.547 2.739 . . . . 0.0 111.89 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -44.66 -54.18 6.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.224 1.81 . . . . 0.0 114.2 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -63.19 -42.29 99.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.44 -1.412 . . . . 0.0 112.868 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -67.26 -50.26 61.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.401 3.08 . . . . 0.0 114.213 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.95 -47.71 80.03 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.056 2.142 . . . . 0.0 113.625 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.24 -62.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.353 2.661 . . . . 0.0 111.597 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.32 -48.23 6.82 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.22 2.208 . . . . 0.0 116.245 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -80.76 -46.17 15.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -120.59 47.2 1.83 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.167 -1.583 . . . . 0.0 112.681 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -38.42 90.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.384 -1.447 . . . . 0.0 113.033 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.67 -42.91 98.01 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.381 1.873 . . . . 0.0 113.131 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.31 -42.09 76.14 Favored Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 124.852 1.215 . . . . 0.0 113.297 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.12 -48.43 81.64 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.896 1.278 . . . . 0.0 113.438 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -65.51 -52.9 49.36 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.823 -1.798 . . . . 0.0 112.77 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.95 -31.4 2.79 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 119.897 2.719 . . . . 0.0 119.897 166.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.263 4.1 p -90.54 -37.87 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 CA-C-N 117.869 0.834 . . . . 0.0 111.112 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -56.82 -47.47 80.2 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.88 1.672 . . . . 0.0 113.138 170.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 -41.3 85.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.631 -1.293 . . . . 0.0 113.544 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 1.2 t80 -61.61 -51.51 68.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 123.929 0.892 . . . . 0.0 113.313 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.69 -43.21 57.56 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.745 2.018 . . . . 0.0 114.657 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.77 -56.15 17.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.747 -1.221 . . . . 0.0 112.565 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.5 mtt -54.72 -30.36 55.85 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.024 2.602 . . . . 0.0 118.024 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -114.02 -78.36 0.58 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t -178.49 159.27 1.16 Allowed 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 120.144 1.338 . . . . 0.0 110.743 -165.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -110.68 150.48 28.97 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.542 1.137 . . . . 0.0 110.9 -160.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp . . . . . 0 N--CA 1.43 -1.449 0 O-C-N 118.937 -2.352 . . . . 0.0 110.731 167.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 121.216 0.531 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -113.45 90.54 3.37 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.92 -39.34 81.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.463 -1.398 . . . . 0.0 112.145 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -40.9 -49.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 130.124 3.37 . . . . 0.0 117.161 163.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.22 -50.32 68.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.873 2.069 . . . . 0.0 111.221 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.7 m -62.66 -48.54 78.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.208 -0.933 . . . . 0.0 111.699 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.76 -44.42 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 121.071 -1.018 . . . . 0.0 111.002 -170.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -55.81 -26.9 48.61 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -74.15 -47.97 32.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.336 -0.852 . . . . 0.0 113.155 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -42.86 -58.5 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 127.517 2.327 . . . . 0.0 115.19 162.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.97 -62.69 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 120.641 1.564 . . . . 0.0 112.565 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.4 m -40.08 -55.16 2.15 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.058 2.143 . . . . 0.0 115.994 174.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.37 -40.04 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.236 -1.54 . . . . 0.0 109.881 -168.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.96 -47.59 71.17 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.727 1.611 . . . . 0.0 113.778 169.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -57.41 -42.49 82.39 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 171.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.26 -42.1 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 125.915 1.686 . . . . 0.0 113.136 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -73.08 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 128.255 2.622 . . . . 0.0 113.131 156.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.292 20.2 pt -69.47 -34.0 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 117.137 -3.477 . . . . 0.0 119.306 -161.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -30.25 71.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 120.358 3.466 . . . . 0.0 120.358 -162.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -110.97 15.59 21.66 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.489 -2.632 . . . . 0.0 112.246 167.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.9 m -118.69 -86.1 0.65 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -173.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -176.53 104.67 0.06 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.329 -0.857 . . . . 0.0 112.071 -152.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.1 mp0 -27.98 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.402 1 N-CA-C 123.715 4.709 . . . . 0.0 123.715 155.209 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -43.24 -38.21 2.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.439 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -53.13 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.013 -1.679 . . . . 0.0 112.792 170.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 24' ' ' GLU . 3.0 p -70.46 -22.21 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.51 -6.68 49.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 116.874 -3.641 . . . . 0.0 114.643 -165.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -136.16 150.46 49.06 Favored 'General case' 0 N--CA 1.429 -1.512 1 N-CA-C 98.852 -4.499 . . . . 0.0 98.852 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.454 21.5 ptt-85 -89.33 -32.49 17.31 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 116.34 -2.144 . . . . 0.0 116.196 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -36.19 -55.13 0.8 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.745 2.418 . . . . 0.0 115.931 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.27 -49.58 66.64 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.864 2.066 . . . . 0.0 112.43 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -47.01 12.62 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.18 2.592 . . . . 0.0 112.144 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.33 -55.07 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.589 2.756 . . . . 0.0 109.88 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.63 19.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 131.532 3.933 . . . . 0.0 116.009 167.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.76 -45.67 49.78 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 121.628 2.013 . . . . 0.0 113.552 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.288 11.9 mt -61.12 -46.88 88.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 110.53 -3.032 . . . . 0.0 114.744 170.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.47 -39.86 77.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.637 1.975 . . . . 0.0 113.086 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.28 -44.36 91.93 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.539 3.135 . . . . 0.0 112.796 175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.25 -34.74 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-O 124.757 2.217 . . . . 0.0 109.392 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.55 24.36 3.46 Favored Glycine 0 N--CA 1.431 -1.683 1 C-N-CA 131.491 4.377 . . . . 0.0 114.841 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -76.41 105.66 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 121.029 2.414 . . . . 0.0 108.357 -168.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -110.61 -172.93 2.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.407 -2.058 . . . . 0.0 111.625 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -148.03 -166.7 2.6 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 104.436 -2.431 . . . . 0.0 104.436 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -44.71 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.78 -4.71 60.03 Favored Glycine 0 N--CA 1.429 -1.796 0 O-C-N 119.852 -1.78 . . . . 0.0 116.549 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -133.85 -170.69 2.56 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.257 1.423 . . . . 0.0 109.337 -167.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -89.28 -165.06 1.25 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 159.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.87 119.15 37.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -108.6 145.32 35.08 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.37 -36.72 83.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 120.571 1.532 . . . . 0.0 112.827 -172.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.42 -23.11 64.13 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 130.588 3.555 . . . . 0.0 115.685 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -70.56 21.56 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.203 2.201 . . . . 0.0 115.261 170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -79.6 -18.82 50.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.41 -2.056 . . . . 0.0 112.245 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.57 -39.33 77.41 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.714 -1.241 . . . . 0.0 108.818 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -58.85 -50.42 74.04 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.461 1.904 . . . . 0.0 111.93 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.6 mm -51.56 -56.28 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 m -84.22 -37.87 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 119.022 -2.298 . . . . 0.0 114.321 -164.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 m -72.11 -22.21 61.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.905 1.812 . . . . 0.0 111.687 -157.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.17 7.33 29.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 131.06 3.744 . . . . 0.0 113.586 -174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.2 mt -93.61 108.15 19.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.1 p -101.49 -158.36 0.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 122.742 1.258 . . . . 0.0 111.373 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -38.37 88.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.528 2.331 . . . . 0.0 115.713 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.174 2.19 . . . . 0.0 112.341 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -49.25 -71.76 0.06 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.017 2.127 . . . . 0.0 110.96 162.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -39.66 -55.33 1.9 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -170.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.87 16.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.968 -1.708 . . . . 0.0 114.914 172.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -49.55 -56.9 8.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.909 2.484 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.25 -41.63 89.21 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.582 1.658 . . . . 0.0 110.779 -173.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.42 -36.45 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.178 1.791 . . . . 0.0 112.235 -174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.33 -41.62 63.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.53 -1.981 . . . . 0.0 110.915 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.4 -43.6 14.53 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 114.44 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -114.2 40.76 2.43 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.247 -1.533 . . . . 0.0 111.842 -170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.66 -27.84 66.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.908 1.683 . . . . 0.0 113.749 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.95 -37.59 45.4 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.274 2.23 . . . . 0.0 115.304 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.48 -41.03 9.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 124.373 0.987 . . . . 0.0 111.461 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.26 -41.94 96.7 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.606 1.562 . . . . 0.0 112.972 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.94 -49.07 74.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.273 1.429 . . . . 0.0 114.224 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.02 42.74 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 119.739 -1.85 . . . . 0.0 113.981 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.29 4.4 m -58.7 -19.78 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.03 -50.14 73.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.014 -1.679 . . . . 0.0 111.711 168.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -68.86 -46.8 67.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.477 1.511 . . . . 0.0 112.704 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -36.78 82.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.083 -1.636 . . . . 0.0 113.044 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.79 -47.9 70.33 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.222 1.828 . . . . 0.0 113.664 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.48 -16.58 62.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.497 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 73.7 mtp -80.96 -67.52 0.77 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 123.252 2.751 . . . . 0.0 113.034 161.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 88' ' ' THR 0.276 7.9 p90 -60.49 -22.15 63.2 Favored 'General case' 0 N--CA 1.43 -1.438 1 N-CA-C 126.252 5.649 . . . . 0.0 126.252 -167.568 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 87' ' ' TYR . 1.0 OUTLIER 122.89 156.71 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 128.17 2.588 . . . . 0.0 112.988 174.174 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -94.51 100.66 12.6 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.223 -2.173 . . . . 0.0 107.568 161.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 pttm . . . . . 0 N--CA 1.428 -1.547 0 C-N-CA 125.724 1.61 . . . . 0.0 111.625 -171.318 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 122.61 1.195 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -139.05 71.92 1.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.897 2.479 . . . . 0.0 108.884 -172.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -58.27 -28.45 64.96 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.334 -1.479 . . . . 0.0 114.307 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.73 -49.12 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 127.314 2.246 . . . . 0.0 114.107 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -44.67 -53.26 7.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.622 3.169 . . . . 0.0 113.269 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.425 HG23 ' CE1' ' A' ' 44' ' ' HIS . 89.4 m -56.42 -56.54 19.94 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.695 1.598 . . . . 0.0 114.524 171.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.2 -51.66 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 120.588 -1.32 . . . . 0.0 113.963 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -64.65 -28.23 69.47 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 122.71 2.505 . . . . 0.0 113.013 -167.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.68 -53.92 52.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.257 1.823 . . . . 0.0 113.353 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.05 -29.7 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.298 2.239 . . . . 0.0 113.431 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -80.57 -46.24 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 108.156 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -52.98 -57.74 9.33 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.944 2.498 . . . . 0.0 113.126 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.01 -33.36 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.626 -1.296 . . . . 0.0 112.702 -171.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.06 26.83 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 123.688 0.795 . . . . 0.0 112.641 166.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -56.88 -35.28 68.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.499 1.92 . . . . 0.0 114.521 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.15 -42.28 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.361 -1.462 . . . . 0.0 112.791 172.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.9 -28.7 22.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.256 -1.528 . . . . 0.0 112.257 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.681 HD12 ' CE1' ' A' ' 83' ' ' TYR . 9.0 pt -90.59 -24.23 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.144 -2.848 . . . . 0.0 117.243 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -70.84 -92.11 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.309 -2.119 . . . . 0.0 112.799 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -94.71 74.38 3.67 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.328 2.331 . . . . 0.0 110.593 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -171.5 -87.5 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.245 1.018 . . . . 0.0 111.894 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -147.3 101.75 3.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.299 -1.501 . . . . 0.0 111.769 -162.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -86.15 -30.02 22.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.399 -2.063 . . . . 0.0 111.069 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -50.05 -28.76 7.56 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 128.041 2.536 . . . . 0.0 115.248 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.78 -40.68 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.606 1.962 . . . . 0.0 111.339 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -68.93 -21.41 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 177.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.73 -49.04 77.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.535 1.534 . . . . 0.0 114.275 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.45 96.42 7.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.074 1.75 . . . . 0.0 107.585 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -61.81 -22.83 65.8 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 -169.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.84 -15.55 56.06 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 122.54 2.427 . . . . 0.0 112.535 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -73.25 -51.91 15.94 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 53.3 t80 -51.91 -50.95 60.08 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.544 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.93 -53.33 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 124.903 1.281 . . . . 0.0 110.658 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.15 -20.26 64.02 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.817 -0.552 . . . . 0.0 111.986 -170.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -86.19 -24.16 26.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.794 1.638 . . . . 0.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -72.71 -25.39 61.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.619 -2.551 . . . . 0.0 111.42 171.087 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -76.65 -32.84 58.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.706 -1.871 . . . . 0.0 115.129 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -46.06 -42.53 13.56 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.202 2.201 . . . . 0.0 115.346 164.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.0 -30.88 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 126.783 2.033 . . . . 0.0 114.251 170.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.81 35.12 5.71 Favored Glycine 0 N--CA 1.429 -1.774 0 O-C-N 120.499 -1.375 . . . . 0.0 111.691 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.47 121.94 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -141.67 167.11 22.92 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.823 2.049 . . . . 0.0 106.698 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 7' ' ' THR 0.275 35.4 m80 -137.33 -115.61 0.16 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.552 -1.342 . . . . 0.0 113.842 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.83 61.76 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 127.59 2.356 . . . . 0.0 115.993 -167.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.02 -8.4 60.47 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 126.646 2.069 . . . . 0.0 112.663 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -135.15 173.21 11.97 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.078 1.351 . . . . 0.0 111.569 -167.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 166.91 8.23 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.647 1.979 . . . . 0.0 112.617 166.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -84.25 113.57 21.2 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.725 -1.234 . . . . 0.0 108.543 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -109.93 155.13 22.14 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.59 -28.75 59.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -166.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.59 -37.34 86.95 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.557 -1.34 . . . . 0.0 112.622 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.2 m -71.31 18.6 0.07 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -96.0 -15.29 22.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.776 -1.827 . . . . 0.0 108.462 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -50.87 -49.67 58.69 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.189 -2.194 . . . . 0.0 115.167 157.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.55 -51.88 66.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.363 2.265 . . . . 0.0 114.554 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mt -46.84 -59.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.09 1.756 . . . . 0.0 114.331 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -84.0 -16.22 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.449 -1.407 . . . . 0.0 112.951 -165.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -72.03 -36.13 69.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.328 -1.483 . . . . 0.0 109.874 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.65 -28.23 64.64 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.22 113.25 25.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.514 1.526 . . . . 0.0 114.608 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -96.27 -158.06 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.002 -1.686 . . . . 0.0 110.239 169.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.04 -21.44 61.38 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.561 2.744 . . . . 0.0 112.592 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.39 -46.96 3.49 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.196 2.998 . . . . 0.0 115.628 167.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -63.81 1.16 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.283 1.833 . . . . 0.0 113.73 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -35.31 -63.75 0.32 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 130.279 3.432 . . . . 0.0 113.692 169.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -56.68 4.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 m -63.72 -47.58 80.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 130.678 3.591 . . . . 0.0 110.671 -172.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.02 -49.42 67.79 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.09 1.356 . . . . 0.0 108.531 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.86 -51.44 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 128.169 2.587 . . . . 0.0 111.578 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.45 -46.47 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -78.04 -45.61 23.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.003 -1.061 . . . . 0.0 113.386 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.84 135.03 18.06 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.043 1.401 . . . . 0.0 113.918 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -87.65 -35.86 17.78 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.34 -1.475 . . . . 0.0 113.661 -177.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -59.36 -38.12 79.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -164.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.73 -43.84 13.86 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.586 -1.321 . . . . 0.0 112.474 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -60.75 -51.37 69.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.925 1.69 . . . . 0.0 112.222 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.9 -45.67 88.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.21 -0.931 . . . . 0.0 112.29 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.6 -52.98 27.11 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.973 1.749 . . . . 0.0 114.583 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 p -74.23 -32.58 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 118.987 1.394 . . . . 0.0 113.804 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.26 -38.48 91.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.589 -1.945 . . . . 0.0 112.288 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -60.91 -37.55 82.66 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.054 1.342 . . . . 0.0 113.433 169.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.681 ' CE1' HD12 ' A' ' 19' ' ' ILE . 23.1 t80 -61.69 -49.64 75.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.663 -1.273 . . . . 0.0 111.968 168.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.14 -46.61 68.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.176 -1.577 . . . . 0.0 115.03 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.59 -30.58 64.51 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.614 -1.304 . . . . 0.0 113.579 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.5 mtt -85.94 -41.18 15.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.868 -1.77 . . . . 0.0 113.239 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -101.68 -74.51 0.62 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 111.847 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -167.48 154.62 8.52 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 120.83 1.65 . . . . 0.0 110.786 -173.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -88.6 143.69 26.79 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.842 -1.786 . . . . 0.0 109.863 174.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 N--CA 1.429 -1.497 0 O-C-N 120.429 -1.419 . . . . 0.0 109.945 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -163.97 -36.18 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.706 -1.246 . . . . 0.0 111.798 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -49.94 -29.01 7.57 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.275 -2.141 . . . . 0.0 114.453 164.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.6 -44.46 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 126.852 2.061 . . . . 0.0 111.991 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -51.28 -53.62 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 130.304 3.442 . . . . 0.0 112.511 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.9 m -53.7 -52.0 61.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 124.342 1.057 . . . . 0.0 112.861 172.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.7 t -66.39 -47.82 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -57.8 -37.59 74.03 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-O 123.329 1.538 . . . . 0.0 112.319 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.7 -50.24 63.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.534 2.334 . . . . 0.0 111.464 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.23 -54.28 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 119.968 1.258 . . . . 0.0 112.347 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.86 -39.38 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -63.81 -46.23 86.06 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.838 -1.789 . . . . 0.0 112.759 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.87 -29.89 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 121.421 -0.799 . . . . 0.0 111.495 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.49 45.92 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.992 -1.068 . . . . 0.0 113.425 168.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -51.34 -34.59 34.48 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.644 2.378 . . . . 0.0 115.286 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.77 -55.62 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.59 1.556 . . . . 0.0 110.756 171.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 22' ' ' SER . 0.2 OUTLIER -77.84 -29.03 50.3 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.74 -1.225 . . . . 0.0 112.829 -173.419 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 20.8 pt -77.62 -27.11 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 118.563 -2.586 . . . . 0.0 115.351 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -79.25 0.17 Allowed 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.309 -1.494 . . . . 0.0 109.411 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -53.08 20.74 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 135.158 5.383 . . . . 0.0 119.003 165.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.4 t -168.63 -68.95 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 122.179 2.263 . . . . 0.0 114.643 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -147.82 100.18 3.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.306 -1.496 . . . . 0.0 112.412 -160.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.2 -37.2 22.14 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.347 -1.471 . . . . 0.0 110.384 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -53.7 -13.78 0.76 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.88 -41.93 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.321 2.248 . . . . 0.0 112.233 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.54 -30.71 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.191 -2.193 . . . . 0.0 112.708 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.62 -39.81 0.36 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.259 3.024 . . . . 0.0 115.45 164.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -127.22 94.33 3.98 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.623 -3.103 . . . . 0.0 102.623 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -30.3 71.46 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.262 -2.149 . . . . 0.0 116.235 -151.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.86 -16.59 61.59 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.245 -2.159 . . . . 0.0 113.008 -171.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -69.02 -49.33 58.65 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 128.67 2.788 . . . . 0.0 110.795 172.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -58.23 -49.64 76.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.784 1.754 . . . . 0.0 111.884 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.07 -43.34 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.987 2.115 . . . . 0.0 111.017 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.22 70.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.256 1.979 . . . . 0.0 111.418 -172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -86.01 -33.54 21.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.29 2.636 . . . . 0.0 111.775 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.11 -42.68 91.1 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 118.677 -2.514 . . . . 0.0 112.592 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.422 ' OD1' ' HB3' ' A' ' 48' ' ' LYS . 19.5 m-80 -51.96 -55.41 20.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.487 -1.383 . . . . 0.0 114.466 176.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -34.04 -46.43 0.24 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 127.105 2.162 . . . . 0.0 116.822 167.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mt -56.3 -38.48 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.98 1.712 . . . . 0.0 113.125 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.11 46.24 0.83 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 124.934 1.254 . . . . 0.0 111.449 -168.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.12 116.29 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 109.178 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.2 p -126.5 151.15 48.2 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 127.685 2.394 . . . . 0.0 108.403 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -114.17 -118.86 0.31 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.251 -0.905 . . . . 0.0 109.429 174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -76.16 85.53 3.0 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.473 -0.767 . . . . 0.0 112.203 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.56 -26.05 0.28 Allowed Glycine 0 N--CA 1.429 -1.768 0 O-C-N 116.798 -3.689 . . . . 0.0 121.629 -171.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -125.5 -165.07 1.36 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -167.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . 42.3 mmtm -92.42 -154.3 0.38 Allowed 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 123.388 2.813 . . . . 0.0 105.646 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.1 tp -98.72 128.14 44.87 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 123.475 2.852 . . . . 0.0 109.284 160.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -91.07 169.64 10.7 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.505 -1.372 . . . . 0.0 110.513 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -71.29 -42.28 68.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.287 -1.508 . . . . 0.0 109.676 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -49.7 -37.52 29.36 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.829 2.052 . . . . 0.0 116.075 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -68.43 -0.64 5.18 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -168.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.67 -18.45 64.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.394 -1.441 . . . . 0.0 114.005 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -56.32 -54.45 45.35 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.367 -2.083 . . . . 0.0 113.834 160.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -57.33 -44.27 84.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.498 2.319 . . . . 0.0 115.657 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -47.58 -68.4 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 127.134 2.174 . . . . 0.0 114.169 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.63 -25.03 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.332 1.053 . . . . 0.0 113.547 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.5 m -65.84 -49.86 66.68 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.535 -1.353 . . . . 0.0 111.403 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -47.54 85.94 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.76 130.09 44.87 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.389 2.276 . . . . 0.0 114.732 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -108.15 -169.49 1.52 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.49 -1.382 . . . . 0.0 111.483 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -80.02 -26.93 39.6 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.4 -1.437 . . . . 0.0 111.787 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.28 -51.2 65.35 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.29 1.836 . . . . 0.0 113.237 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -53.54 -60.96 2.64 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 128.521 2.728 . . . . 0.0 114.336 172.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -32.99 -56.28 0.38 Allowed 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 165.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.209 -1.557 . . . . 0.0 113.043 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -60.76 -33.07 72.39 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.948 -1.72 . . . . 0.0 113.626 163.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.6 tp -78.01 -37.65 46.59 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.529 -2.607 . . . . 0.0 110.432 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.84 -40.76 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 124.972 1.309 . . . . 0.0 109.83 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.23 -45.56 92.81 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 171.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -69.38 -47.72 63.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.174 -1.579 . . . . 0.0 114.037 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -145.99 96.79 2.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.143 0.973 . . . . 0.0 112.157 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.2 -31.93 71.69 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.083 1.353 . . . . 0.0 113.394 169.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.85 -49.42 49.22 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 129.191 2.997 . . . . 0.0 116.001 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.35 -31.51 63.42 Favored Glycine 0 N--CA 1.43 -1.721 0 O-C-N 121.335 -0.853 . . . . 0.0 112.972 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -71.33 -50.53 31.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.103 1.361 . . . . 0.0 112.004 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.02 -46.2 71.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.663 1.185 . . . . 0.0 112.601 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.23 -52.13 13.62 Favored Glycine 0 N--CA 1.43 -1.709 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 167.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.22 -23.95 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.866 -1.373 . . . . 0.0 113.437 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.26 -45.71 92.06 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.873 1.669 . . . . 0.0 112.347 170.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -69.7 -26.09 64.19 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.973 -1.704 . . . . 0.0 114.057 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 15.1 t80 -68.48 -49.24 61.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.564 -1.335 . . . . 0.0 110.377 166.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp -50.23 -57.3 8.1 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 127.705 2.402 . . . . 0.0 115.126 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -34.5 -72.96 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.092 2.557 . . . . 0.0 116.417 154.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.7 mmt -82.71 -29.32 29.93 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 123.864 3.029 . . . . 0.0 114.483 -165.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.32 -73.26 0.57 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.929 -1.107 . . . . 0.0 112.423 -173.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.22 135.99 1.01 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 118.21 -1.396 . . . . 0.0 108.088 -155.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -111.0 140.75 45.26 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.455 0 O-C-N 121.18 -0.95 . . . . 0.0 111.026 -163.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.9 152.58 32.04 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 158.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.98 -41.47 35.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 117.897 -3.002 . . . . 0.0 108.562 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 65' ' ' ASP . 12.4 mt -53.6 -27.76 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 128.202 2.601 . . . . 0.0 115.601 166.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HA ' HH11 ' A' ' 9' ' ' ARG . 19.6 t70 -56.16 -56.92 15.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.033 -1.667 . . . . 0.0 113.848 161.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -65.05 -50.21 67.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.114 -0.991 . . . . 0.0 113.256 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.91 -50.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.201 2.2 . . . . 0.0 115.401 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 12' ' ' ILE . 7.3 ptt-85 -82.29 -9.29 59.53 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 112.745 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.8 -38.25 67.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.314 -1.491 . . . . 0.0 111.265 162.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.34 -60.02 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.041 1.336 . . . . 0.0 112.015 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 9' ' ' ARG 0.275 0.0 OUTLIER -66.65 -32.11 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.85 -1.781 . . . . 0.0 115.16 -175.051 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -71.29 -43.89 66.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.083 -2.26 . . . . 0.0 111.04 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.7 -32.99 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 121.174 -0.954 . . . . 0.0 110.236 -172.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.66 82.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.46 -1.4 . . . . 0.0 112.893 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -54.22 -36.77 63.86 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -65.86 -55.53 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.511 -1.993 . . . . 0.0 113.089 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -39.21 -57.36 1.35 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.304 2.242 . . . . 0.0 115.282 161.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.26 16.4 pt -76.53 -41.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 117.908 -2.995 . . . . 0.0 114.93 -175.755 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -75.18 -33.87 61.48 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 116.976 -1.488 . . . . 0.0 113.776 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -110.85 13.86 22.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 122.035 2.198 . . . . 0.0 113.942 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -138.95 -80.95 0.31 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -150.03 112.86 4.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.382 -1.449 . . . . 0.0 114.751 -164.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.03 -47.95 81.54 Favored 'General case' 0 N--CA 1.43 -1.43 1 C-N-CA 131.712 4.005 . . . . 0.0 119.607 153.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -30.85 -44.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 167.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.21 -52.63 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 119.392 -2.067 . . . . 0.0 112.257 171.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -9.94 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.733 2.813 . . . . 0.0 118.179 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.65 -56.78 11.67 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 118.157 -2.839 . . . . 0.0 111.016 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -96.56 152.18 18.88 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.531 1.634 . . . . 0.0 107.415 170.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 mtm-85 -90.56 -31.2 16.81 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.419 -1.425 . . . . 0.0 111.307 -166.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.32 -12.76 15.04 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.924 2.089 . . . . 0.0 115.569 168.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.81 -51.55 5.03 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -43.29 -40.65 3.62 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 169.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -42.11 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 129.879 3.272 . . . . 0.0 112.761 -174.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.65 -53.57 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 117.44 -3.287 . . . . 0.0 116.098 158.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -61.44 -24.47 66.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.12 -26.79 48.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.917 1.287 . . . . 0.0 113.101 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.37 -32.18 73.41 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.588 -1.945 . . . . 0.0 113.593 171.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.06 -53.44 58.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.442 1.897 . . . . 0.0 115.895 171.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mt -46.69 -39.22 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.899 1.68 . . . . 0.0 112.109 164.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.86 43.39 7.7 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 124.451 1.024 . . . . 0.0 110.937 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -87.27 98.96 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p -103.06 -170.47 1.8 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.035 1.334 . . . . 0.0 107.821 -165.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.558 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 14.1 p80 -160.09 -115.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 36.0 tt0 -83.34 77.5 9.78 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.958 -1.714 . . . . 0.0 110.577 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.47 -12.84 19.04 Favored Glycine 0 N--CA 1.431 -1.662 0 O-C-N 117.254 -3.404 . . . . 0.0 118.575 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -129.22 -168.73 1.98 Allowed 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.214 -1.168 . . . . 0.0 112.36 -165.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -98.4 -175.12 3.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.063 2.145 . . . . 0.0 110.606 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.68 122.97 42.58 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.541 1.936 . . . . 0.0 106.892 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -109.67 168.35 9.47 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.88 -1.763 . . . . 0.0 108.655 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -77.14 -26.58 53.3 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 124.489 2.09 . . . . 0.0 111.174 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.67 -5.36 59.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.531 2.732 . . . . 0.0 114.689 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 p -79.3 18.27 0.71 Allowed 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.81 -1.806 . . . . 0.0 115.51 -166.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -64.36 -52.0 60.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.144 2.178 . . . . 0.0 113.941 -167.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -47.2 -37.3 10.05 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.19 -20.99 43.47 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.416 -1.428 . . . . 0.0 111.296 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.92 -56.18 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-O 117.815 -1.088 . . . . 0.0 112.129 167.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.39 -17.48 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 125.263 3.665 . . . . 0.0 115.296 -157.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.2 t -86.43 -17.29 34.69 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.185 -1.572 . . . . 0.0 111.257 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -76.43 -10.62 59.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.742 1.217 . . . . 0.0 113.628 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -107.56 138.08 44.43 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 127.091 2.157 . . . . 0.0 108.241 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -97.84 -157.25 0.58 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.125 -1.609 . . . . 0.0 108.509 173.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.16 -20.3 52.56 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.283 -2.136 . . . . 0.0 116.598 170.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.18 -27.85 66.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.42 -1.425 . . . . 0.0 111.585 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' HD11 ' A' ' 5' ' ' ILE . 1.5 p-10 -57.72 -52.77 64.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.891 1.276 . . . . 0.0 112.254 175.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -48.0 -51.29 24.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.448 3.099 . . . . 0.0 114.132 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -50.12 46.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.119 -2.238 . . . . 0.0 115.022 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -39.13 -64.12 0.48 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.419 2.688 . . . . 0.0 115.334 165.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -38.0 -49.77 1.29 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 169.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.97 -28.08 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 125.225 1.41 . . . . 0.0 110.641 -169.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.92 -36.49 41.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.237 1.415 . . . . 0.0 110.062 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -90.73 -46.27 8.35 Favored 'General case' 0 N--CA 1.428 -1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 113.371 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -136.46 73.33 1.45 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.315 -1.49 . . . . 0.0 111.544 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.87 -33.56 72.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.33 1.452 . . . . 0.0 110.951 172.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.49 -37.45 57.28 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.135 2.174 . . . . 0.0 115.017 175.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.94 -47.37 66.28 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.52 1.057 . . . . 0.0 114.037 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.95 -51.1 70.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.299 1.44 . . . . 0.0 111.304 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.27 -46.73 72.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.868 2.067 . . . . 0.0 114.571 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -60.76 7.3 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 125.37 1.462 . . . . 0.0 113.134 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -53.96 -43.29 69.76 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.033 1.742 . . . . 0.0 113.358 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -59.83 -44.68 93.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.044 0.938 . . . . 0.0 113.264 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 19' ' ' ILE . 2.4 t80 -64.56 -39.0 92.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.846 -1.158 . . . . 0.0 113.916 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.56 -52.37 65.45 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.178 1.391 . . . . 0.0 112.651 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.07 -28.75 61.54 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.624 -1.297 . . . . 0.0 112.504 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.63 -67.74 0.35 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 166.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.15 -69.53 0.75 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.952 -1.092 . . . . 0.0 112.017 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t -146.5 114.12 6.4 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.93 -144.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.18 95.67 9.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.66 -1.9 . . . . 0.0 109.342 -172.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mptt . . . . . 0 N--CA 1.43 -1.437 0 C-N-CA 125.402 1.481 . . . . 0.0 107.437 173.091 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -102.09 120.14 39.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' HB3' HD21 ' A' ' 61' ' ' LEU . 83.7 m-20 -47.53 -8.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.695 3.22 . . . . 0.0 119.695 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.5 mt -94.04 -55.78 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 1 C-N-CA 133.201 4.6 . . . . 0.0 107.841 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.31 -25.63 66.93 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.446 2.299 . . . . 0.0 108.271 170.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -61.3 -74.78 0.08 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.015 -2.928 . . . . 0.0 114.262 156.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 ' HA ' HG12 ' A' ' 11' ' ' ILE . 78.4 t -52.94 -36.31 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -174.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.297 0.1 OUTLIER -74.45 -37.68 63.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.034 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -41.5 -69.12 0.14 Allowed 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 115.854 -2.022 . . . . 0.0 114.086 147.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' VAL . 14.1 mm -37.5 -71.42 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 123.315 2.78 . . . . 0.0 117.283 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' H ' ' HB ' ' A' ' 11' ' ' ILE . 80.2 mt -37.27 -43.46 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 130.81 3.644 . . . . 0.0 115.052 170.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 m -70.41 -57.2 5.07 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.116 -1.615 . . . . 0.0 111.935 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.86 -52.9 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 O-C-N 120.39 -1.443 . . . . 0.0 114.19 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.4 -49.15 13.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.685 3.217 . . . . 0.0 119.685 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -89.84 -25.56 20.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.28 -0.887 . . . . 0.0 109.232 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.18 -31.69 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 121.538 -0.726 . . . . 0.0 109.769 169.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -51.68 17.38 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.939 -1.725 . . . . 0.0 112.46 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.6 pt -70.68 -32.79 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -34.81 -67.39 0.14 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.635 2.374 . . . . 0.0 116.725 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -117.72 79.83 1.42 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.845 -1.784 . . . . 0.0 109.288 164.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -148.47 -95.64 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.419 -2.675 . . . . 0.0 105.846 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -126.25 140.51 52.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.631 -1.918 . . . . 0.0 111.304 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -84.44 -16.94 40.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.5 2.572 . . . . 0.0 109.884 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.88 -43.34 73.07 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.17 2.988 . . . . 0.0 111.923 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -19.12 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 172.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.303 1.0 OUTLIER -93.83 -35.7 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 120.605 1.548 . . . . 0.0 114.56 169.507 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -45.35 -46.63 13.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -101.46 143.68 31.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -81.42 -45.3 16.27 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 127.172 2.189 . . . . 0.0 112.707 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.64 -40.69 2.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.226 3.011 . . . . 0.0 115.29 175.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -79.69 -33.23 41.25 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.913 2.485 . . . . 0.0 111.212 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.28 -49.17 62.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 124.236 1.969 . . . . 0.0 108.841 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.49 -43.9 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.167 173.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.76 62.44 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.85 -14.78 25.72 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.513 -2.617 . . . . 0.0 115.435 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.55 -52.15 66.81 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 152.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -39.42 -41.81 1.0 Allowed 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 128.389 2.676 . . . . 0.0 117.569 160.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.79 -55.44 32.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 166.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -37.16 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.036 1.734 . . . . 0.0 113.602 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.62 24.71 7.65 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 121.282 -0.886 . . . . 0.0 112.721 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 m -59.33 125.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.951 -1.323 . . . . 0.0 113.956 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.1 p -126.01 160.02 31.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 122.969 1.366 . . . . 0.0 110.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -123.4 -138.67 0.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 166.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.34 112.25 5.09 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.555 -1.966 . . . . 0.0 111.827 178.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.72 1.05 0.07 OUTLIER Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 120.664 3.025 . . . . 0.0 120.664 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -141.22 168.3 20.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.548 2.674 . . . . 0.0 108.646 -169.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -43.81 157.51 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.539 1.935 . . . . 0.0 115.921 156.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -81.27 146.65 30.32 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.67 2.486 . . . . 0.0 110.098 166.686 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' H ' HD13 ' A' ' 49' ' ' LEU . 4.4 t-20 -114.16 175.36 5.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.861 1.264 . . . . 0.0 109.113 -164.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.44 -4.14 29.5 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 165.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -107.31 -7.16 16.81 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.998 1.726 . . . . 0.0 112.342 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.7 p -78.46 23.84 0.29 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.899 2.079 . . . . 0.0 115.628 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -74.15 -24.84 59.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.984 -2.322 . . . . 0.0 112.401 -165.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -58.01 -52.66 64.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.116 2.566 . . . . 0.0 114.294 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -48.17 -32.24 6.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.862 2.865 . . . . 0.0 118.519 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.44 -69.08 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.028 1.731 . . . . 0.0 114.689 159.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.288 3.3 p -99.91 -8.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -155.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.9 p -60.24 -53.2 60.55 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.438 -3.289 . . . . 0.0 113.136 165.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -51.64 -15.7 0.51 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 4' ' ' ASN . 92.7 mt -94.76 127.37 40.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 123.521 1.629 . . . . 0.0 112.122 -170.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -116.85 -171.53 2.04 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.736 1.731 . . . . 0.0 113.151 -166.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -51.97 -46.94 65.0 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.333 2.253 . . . . 0.0 112.586 168.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -49.49 -42.3 43.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 128.158 2.583 . . . . 0.0 115.798 172.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -56.24 15.29 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.438 1.495 . . . . 0.0 110.036 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -51.49 -53.91 32.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 128.166 3.841 . . . . 0.0 112.689 -158.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -89.06 -25.8 21.74 Favored 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 108.388 -4.005 . . . . 0.0 110.75 -169.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.73 -35.76 79.34 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.905 -1.747 . . . . 0.0 112.32 173.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.47 -52.29 16.44 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.874 2.069 . . . . 0.0 111.949 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.5 mm -79.1 -6.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 1 C-N-CA 134.445 5.098 . . . . 0.0 108.772 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.12 -59.98 2.56 Favored 'General case' 0 N--CA 1.429 -1.487 1 O-C-N 115.332 -4.605 . . . . 0.0 112.865 148.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -76.52 -46.91 24.55 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -162.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.02 111.53 16.7 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.224 -1.548 . . . . 0.0 111.025 -172.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.46 -51.85 4.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.456 -1.403 . . . . 0.0 111.396 -170.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.79 -22.54 53.54 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -159.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.06 -34.58 37.21 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.01 -1.681 . . . . 0.0 113.081 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -69.61 -41.95 75.02 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.235 -1.156 . . . . 0.0 110.811 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -48.85 -51.92 27.03 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.948 2.099 . . . . 0.0 113.227 169.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.91 -59.09 4.58 Favored Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 126.812 2.149 . . . . 0.0 117.047 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.38 -38.79 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 121.268 -1.136 . . . . 0.0 113.158 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.59 -50.54 72.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.377 -1.452 . . . . 0.0 113.761 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -70.77 -34.53 71.91 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.471 -1.393 . . . . 0.0 113.189 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.47 81.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.44 -1.412 . . . . 0.0 111.212 172.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.5 tp -61.78 -35.92 79.56 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.634 -2.541 . . . . 0.0 114.561 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.16 -43.66 97.67 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.51 -1.369 . . . . 0.0 113.42 173.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.28 -71.55 0.11 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.464 2.705 . . . . 0.0 117.38 163.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.394 23.7 p90 -79.41 -72.03 0.41 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 125.51 3.777 . . . . 0.0 113.148 -158.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -160.6 104.42 1.4 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 124.073 1.892 . . . . 0.0 108.492 -167.021 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -109.97 152.53 25.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.499 2.32 . . . . 0.0 112.018 -157.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? . . . . . 0 N--CA 1.43 -1.435 0 C-N-CA 126.723 2.009 . . . . 0.0 112.906 178.644 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 . . . . . 0 N--CA 1.431 -1.424 0 CA-C-O 122.853 1.311 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -104.37 148.45 26.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.787 1.635 . . . . 0.0 109.079 177.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -56.58 -31.37 64.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.033 1.333 . . . . 0.0 114.418 167.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -63.5 -50.14 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.104 2.561 . . . . 0.0 112.447 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -32.07 73.36 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 127.323 2.249 . . . . 0.0 112.772 171.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -57.22 -58.59 7.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.55 -3.219 . . . . 0.0 113.914 161.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.88 -43.55 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -62.59 -38.89 91.88 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.767 -1.833 . . . . 0.0 114.009 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -48.59 -59.53 3.44 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 159.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.18 -54.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 126.561 1.944 . . . . 0.0 113.595 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt -66.55 -39.79 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 -175.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -66.93 -51.92 49.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.348 -1.47 . . . . 0.0 112.512 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -51.55 -50.42 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.526 1.53 . . . . 0.0 114.585 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.62 10.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.61 1.564 . . . . 0.0 115.199 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.65 -44.6 69.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.756 2.422 . . . . 0.0 112.184 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.9 -34.27 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.355 -1.466 . . . . 0.0 111.938 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.97 -43.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.115 -1.615 . . . . 0.0 110.457 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.276 11.7 pt -75.29 -27.44 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 114.998 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -71.4 -63.78 1.05 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 122.948 2.613 . . . . 0.0 109.164 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -101.39 17.96 21.3 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -138.57 -75.09 0.38 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.222 -2.174 . . . . 0.0 113.786 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -147.96 104.77 3.6 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.474 1.488 . . . . 0.0 112.721 -161.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -84.98 -8.25 58.81 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.467 -2.021 . . . . 0.0 111.573 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.79 -4.02 5.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.954 2.502 . . . . 0.0 114.011 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -98.26 -19.52 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.903 -2.373 . . . . 0.0 110.244 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.79 -23.45 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 O-C-N 119.348 -2.095 . . . . 0.0 113.178 -171.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -46.91 -43.6 19.05 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 128.193 2.597 . . . . 0.0 117.383 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -120.69 100.49 7.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -67.99 -16.24 63.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -155.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.7 62.12 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.127 -2.233 . . . . 0.0 114.718 169.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -72.33 -35.31 68.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.526 -1.359 . . . . 0.0 112.79 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . 0.28 0.0 OUTLIER -68.86 -50.36 50.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.315 . . . . 0.0 110.987 179.553 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.0 mt -50.53 -48.49 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 129.154 2.982 . . . . 0.0 112.274 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.42 -31.31 53.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.833 -1.792 . . . . 0.0 108.047 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.489 -1.38 0 O-C-N 118.895 -2.378 . . . . 0.0 114.997 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.05 -31.2 64.27 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.939 -2.35 . . . . 0.0 111.141 166.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.23 -47.28 75.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.86 -37.8 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.082 -1.636 . . . . 0.0 112.107 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.2 41.69 5.15 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 124.144 0.878 . . . . 0.0 111.226 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.59 136.38 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.196 0.999 . . . . 0.0 108.796 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -114.22 173.76 6.28 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.429 -2.045 . . . . 0.0 109.613 -159.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.578 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 7.9 p80 -157.03 -119.24 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 174.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.578 ' H ' ' CG ' ' A' ' 44' ' ' HIS 0.253 27.1 tt0 -84.81 86.69 7.32 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.899 -2.376 . . . . 0.0 107.938 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.85 5.12 8.39 Favored Glycine 0 N--CA 1.43 -1.718 0 N-CA-C 119.099 2.4 . . . . 0.0 119.099 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -140.38 173.86 11.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 126.823 2.049 . . . . 0.0 108.53 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 175.57 6.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.106 2.23 . . . . 0.0 109.396 167.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 tp -93.75 124.12 37.53 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.129 -2.232 . . . . 0.0 113.711 -146.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -105.43 157.52 17.29 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.774 1.63 . . . . 0.0 112.798 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -95.6 -25.95 15.96 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 -163.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -78.26 -20.04 52.46 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.244 -2.16 . . . . 0.0 111.158 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -72.01 9.37 0.96 Allowed 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.58 -14.32 62.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.451 -2.03 . . . . 0.0 111.843 160.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -60.54 -46.63 89.48 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.27 -1.519 . . . . 0.0 111.399 164.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -56.74 -31.91 65.04 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.57 -59.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 CA-C-O 124.151 1.929 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.36 -11.39 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.293 2.237 . . . . 0.0 112.841 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -50.7 -37.11 39.44 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.163 -2.211 . . . . 0.0 116.519 153.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.51 -36.21 10.39 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.959 1.303 . . . . 0.0 112.461 -166.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.92 109.81 18.41 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.046 0.927 . . . . 0.0 111.125 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.434 ' HB ' ' H ' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -107.61 -157.38 0.61 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.557 2.343 . . . . 0.0 107.146 174.112 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' H ' ' HB ' ' A' ' 62' ' ' THR . 78.7 mt-30 -65.25 -21.82 66.78 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.704 -2.498 . . . . 0.0 114.71 -174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -50.47 -39.1 47.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -46.84 70.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.243 2.217 . . . . 0.0 110.899 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -50.37 -57.43 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.956 1.702 . . . . 0.0 112.639 173.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -56.72 -47.77 79.24 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.1 m -67.68 -43.61 79.77 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 129.849 3.26 . . . . 0.0 112.7 -168.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.28 -24.28 20.95 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.544 1.538 . . . . 0.0 109.149 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.65 -52.37 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 122.213 2.279 . . . . 0.0 111.156 166.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -40.47 -57.55 1.78 Allowed 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.062 2.145 . . . . 0.0 115.976 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.71 -44.97 9.14 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -133.4 65.41 1.59 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 119.512 1.051 . . . . 0.0 111.808 -168.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.27 -34.94 79.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.28 -1.512 . . . . 0.0 111.955 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -49.51 -36.52 23.43 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.752 2.821 . . . . 0.0 115.019 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.87 -53.87 34.7 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 125.004 1.288 . . . . 0.0 113.278 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -62.41 -45.99 90.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.175 1.39 . . . . 0.0 112.497 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.93 -48.45 80.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.01 1.724 . . . . 0.0 114.663 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.2 68.35 Favored Glycine 0 N--CA 1.429 -1.791 0 O-C-N 120.011 -1.681 . . . . 0.0 114.207 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.418 3.5 p -60.62 -41.05 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 114.971 -0.614 . . . . 0.0 112.243 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.09 -46.88 85.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.982 1.313 . . . . 0.0 113.857 170.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 ttm180 -59.66 -39.83 85.7 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.677 -1.889 . . . . 0.0 114.264 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.9 t80 -66.3 -50.45 63.6 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.892 1.677 . . . . 0.0 110.718 173.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.36 -43.08 74.73 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.161 2.185 . . . . 0.0 114.836 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.46 -48.46 80.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.389 1.475 . . . . 0.0 113.545 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -70.6 -62.7 1.29 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.863 1.665 . . . . 0.0 114.728 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -78.03 -69.92 0.52 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.138 1.375 . . . . 0.0 112.712 -165.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.97 136.23 3.48 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 117.884 -1.526 . . . . 0.0 110.262 -149.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -85.08 134.06 34.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.738 1.615 . . . . 0.0 111.854 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 pttm . . . . . 0 N--CA 1.43 -1.437 0 O-C-N 121.162 -0.961 . . . . 0.0 109.316 -179.402 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 . . . . . 0 N--CA 1.43 -1.442 0 CA-C-O 123.594 1.664 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -104.71 150.38 24.78 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.043 1.737 . . . . 0.0 106.76 158.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.51 -6.94 33.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.986 -1.697 . . . . 0.0 114.636 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.46 -64.14 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 127.86 2.464 . . . . 0.0 114.026 155.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -39.71 -57.78 1.46 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 130.007 3.323 . . . . 0.0 113.679 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 m -54.79 -65.63 0.54 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.481 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.75 -40.34 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.993 -1.692 . . . . 0.0 111.185 -167.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.416 1.086 . . . . 0.0 113.479 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.54 -43.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 168.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.92 -48.92 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.019 1.327 . . . . 0.0 111.204 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.9 mt -49.18 -54.19 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 127.746 2.418 . . . . 0.0 111.98 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 m -51.23 -70.01 0.1 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.909 2.084 . . . . 0.0 115.379 170.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.29 -29.08 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -54.34 32.75 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.315 -1.491 . . . . 0.0 113.651 165.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -54.47 -50.23 68.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.38 -28.6 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.554 1.141 . . . . 0.0 112.534 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 26' ' ' ILE . 2.9 tm? -65.12 -59.88 3.63 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.743 -1.848 . . . . 0.0 113.928 164.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -76.9 -32.3 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -167.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -44.58 -65.33 0.53 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -116.93 72.77 0.84 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.652 -1.28 . . . . 0.0 111.682 173.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -170.26 -98.54 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -121.59 130.58 53.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.551 1.941 . . . . 0.0 111.025 -176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -90.23 -14.91 32.42 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.158 1.783 . . . . 0.0 110.756 164.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.54 -25.96 67.67 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 113.074 -163.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.29 -49.48 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 128.077 2.551 . . . . 0.0 111.161 -175.589 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -61.66 -33.84 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.525 -1.359 . . . . 0.0 114.558 166.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.91 -49.45 77.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.474 1.488 . . . . 0.0 114.408 165.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -98.14 83.46 3.1 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.643 -1.911 . . . . 0.0 107.748 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -28.29 -44.21 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 131.417 3.887 . . . . 0.0 119.237 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.04 62.54 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.827 -1.171 . . . . 0.0 113.003 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -87.72 -17.53 31.52 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.704 1.202 . . . . 0.0 109.813 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.72 -67.49 0.26 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.477 -2.64 . . . . 0.0 114.13 156.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -34.52 -53.01 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 126.17 2.89 . . . . 0.0 115.578 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.252 . . -81.99 -11.52 58.8 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 111.146 -2.752 . . . . 0.0 116.666 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.17 -48.54 73.1 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.048 -2.282 . . . . 0.0 110.756 156.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.42 ' HA ' HG13 ' A' ' 40' ' ' ILE . 26.7 mt -53.94 -25.11 18.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 175.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -68.14 -46.2 71.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.539 1.936 . . . . 0.0 113.613 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -54.2 -58.21 8.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.197 2.199 . . . . 0.0 114.33 157.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 37' ' ' LEU . 2.6 mt -51.4 -26.62 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 1 O-C-N 116.159 -4.088 . . . . 0.0 119.061 -170.225 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.06 1.95 28.33 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.891 -2.381 . . . . 0.0 115.791 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.18 117.55 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 C-N-CA 125.69 1.596 . . . . 0.0 113.135 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -124.43 141.83 51.78 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.644 -1.285 . . . . 0.0 110.9 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -115.62 -137.53 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.536 -1.353 . . . . 0.0 110.131 171.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -45.09 77.64 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 148.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.66 -26.23 2.76 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 127.475 2.464 . . . . 0.0 115.82 162.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -125.72 172.43 9.81 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.593 1.557 . . . . 0.0 107.835 -167.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -74.81 165.41 25.29 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.718 1.607 . . . . 0.0 110.482 172.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.83 127.4 34.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.74 1.216 . . . . 0.0 112.205 -161.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.04 -175.17 4.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.705 -1.872 . . . . 0.0 111.184 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.82 -46.42 8.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.319 -1.488 . . . . 0.0 109.895 173.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.12 -7.41 35.88 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.079 2.252 . . . . 0.0 117.079 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -76.6 -4.74 44.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.011 -1.681 . . . . 0.0 115.285 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . 0.257 1.4 p90 -21.67 -53.09 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 119.239 3.052 . . . . 0.0 119.239 154.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -53.9 -41.73 67.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.833 1.778 . . . . 0.0 115.415 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -69.69 -51.97 29.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.405 1.082 . . . . 0.0 111.681 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.2 -39.96 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.784 0.802 . . . . 0.0 110.125 -168.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 m -74.71 -19.02 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.968 2.107 . . . . 0.0 113.784 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.9 m -65.84 -51.88 55.21 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.506 -1.371 . . . . 0.0 111.597 164.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.27 -45.22 73.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.2 mt -52.17 95.82 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 118.987 -2.321 . . . . 0.0 117.182 153.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -168.7 1.45 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.642 2.777 . . . . 0.0 108.593 159.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -74.38 -32.11 62.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.104 -2.247 . . . . 0.0 113.927 -151.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.4 -54.88 6.69 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.216 2.606 . . . . 0.0 112.854 165.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.35 -46.05 61.42 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.86 2.464 . . . . 0.0 112.597 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -56.46 -53.44 57.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.879 1.672 . . . . 0.0 111.993 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -66.74 -26.91 67.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.072 -1.017 . . . . 0.0 112.102 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.5 m -72.63 -37.86 67.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.448 1.499 . . . . 0.0 112.183 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -57.2 6.47 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 126.736 2.014 . . . . 0.0 114.053 169.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 70' ' ' ILE . 55.2 mt -52.28 -48.15 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 130.725 3.61 . . . . 0.0 113.997 165.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.25 -50.17 75.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.173 -2.204 . . . . 0.0 113.119 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -85.18 -46.32 11.19 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -136.01 62.64 1.61 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.37 -1.456 . . . . 0.0 113.136 -166.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -67.01 -27.78 67.71 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.348 -1.47 . . . . 0.0 114.427 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.66 -40.63 79.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.172 -1.58 . . . . 0.0 113.064 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.03 12.43 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 120.292 -1.505 . . . . 0.0 112.662 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -57.26 -56.67 18.83 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.91 1.684 . . . . 0.0 114.456 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -75.94 -20.39 57.99 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.134 -1.604 . . . . 0.0 112.372 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.45 -46.21 56.84 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.701 -1.249 . . . . 0.0 112.413 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 29.1 m -67.43 -39.0 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.209 175.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -58.03 -52.48 65.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.241 1.816 . . . . 0.0 113.64 174.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -63.37 -41.64 98.82 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 119.85 -1.781 . . . . 0.0 113.115 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -46.06 87.72 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.752 -1.218 . . . . 0.0 111.232 171.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.14 -40.9 47.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.23 -2.169 . . . . 0.0 115.566 173.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.46 -21.44 60.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.277 -1.514 . . . . 0.0 110.163 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 tpt -91.18 -40.85 11.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.329 1.852 . . . . 0.0 115.29 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.308 14.8 p90 -94.21 -76.11 0.49 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 121.715 2.052 . . . . 0.0 109.396 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t -164.33 125.19 2.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 123.263 2.756 . . . . 0.0 109.443 -176.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -86.7 84.23 7.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 124.143 1.925 . . . . 0.0 109.195 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.43 0 C-N-CA 129.337 3.055 . . . . 0.0 110.428 146.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -165.83 -165.69 0.85 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 155.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -90.17 -27.55 19.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.938 -1.101 . . . . 0.0 108.35 159.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.9 -55.5 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.616 1.567 . . . . 0.0 110.418 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -40.44 -59.97 1.21 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 160.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.0 m -56.18 -36.69 68.64 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -88.18 -36.04 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 119.753 -1.842 . . . . 0.0 109.554 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -75.67 -9.15 58.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.174 -2.204 . . . . 0.0 113.073 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.57 -57.51 8.93 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 121.959 2.163 . . . . 0.0 108.559 162.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.59 -49.32 6.42 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 CA-C-O 124.065 1.888 . . . . 0.0 114.862 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.38 -52.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.432 1.893 . . . . 0.0 110.806 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -61.02 -50.82 71.81 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.1 -1.625 . . . . 0.0 111.985 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.48 -9.92 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 119.805 -1.809 . . . . 0.0 112.577 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.09 -36.08 35.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.845 -1.159 . . . . 0.0 110.744 168.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -73.08 -46.57 50.76 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.463 1.905 . . . . 0.0 110.03 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.44 -36.16 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.176 1.391 . . . . 0.0 111.907 172.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.58 -62.57 1.72 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.627 -1.295 . . . . 0.0 114.269 170.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.265 12.0 pt -77.37 -36.94 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -162.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -49.42 -62.58 1.47 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.879 1.799 . . . . 0.0 114.309 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -113.03 72.96 0.79 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.386 3.474 . . . . 0.0 107.34 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -171.64 -94.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.914 1.286 . . . . 0.0 108.642 150.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt-85 -129.18 152.55 48.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.542 -1.349 . . . . 0.0 112.758 -168.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.17 -21.82 24.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.908 1.814 . . . . 0.0 109.632 155.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -46.65 -21.37 0.19 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.978 2.955 . . . . 0.0 118.978 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.39 -51.37 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.683 -2.511 . . . . 0.0 112.853 166.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.349 16.2 m -67.64 -5.03 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 129.841 3.256 . . . . 0.0 115.777 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -72.56 -13.61 61.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.269 1.952 . . . . 0.0 116.269 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -144.27 150.51 38.01 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.0 -37.37 14.37 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.26 -2.15 . . . . 0.0 108.987 -150.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.94 33.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 159.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -57.74 -54.21 49.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.999 2.52 . . . . 0.0 114.978 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.26 -58.12 1.24 Allowed 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.254 2.222 . . . . 0.0 115.477 166.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.54 -40.97 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.9 3.28 . . . . 0.0 110.868 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.76 70.35 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 121.725 -0.61 . . . . 0.0 111.225 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -74.54 -35.43 63.11 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.88 -1.762 . . . . 0.0 110.799 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.53 -33.62 71.61 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.533 -2.605 . . . . 0.0 114.753 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.2 -53.87 47.6 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 126.958 2.103 . . . . 0.0 113.934 162.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -35.08 -55.7 0.6 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 162.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -50.82 -40.17 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.63 29.13 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -58.22 131.15 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 121.46 2.63 . . . . 0.0 113.029 165.456 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -148.06 165.41 30.89 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.107 1.763 . . . . 0.0 108.297 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.335 0.6 OUTLIER -123.75 -143.4 0.32 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 121.9 -0.5 . . . . 0.0 111.17 171.689 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.24 79.99 0.99 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.838 -1.789 . . . . 0.0 114.03 -173.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.88 -16.6 60.95 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.093 -1.629 . . . . 0.0 113.777 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -140.12 160.34 40.16 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.84 1.32 . . . . 0.0 108.205 -174.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.37 162.31 10.23 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.214 -2.179 . . . . 0.0 114.945 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 tp -34.44 122.67 0.51 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 118.764 2.876 . . . . 0.0 118.764 146.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -111.5 -171.94 1.94 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.798 -1.926 . . . . 0.0 105.798 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -78.07 -49.57 13.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 123.91 1.814 . . . . 0.0 108.371 167.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.32 -10.36 50.11 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.327 3.051 . . . . 0.0 116.179 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.8 p -71.46 3.57 3.73 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.34 1.856 . . . . 0.0 115.099 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.53 -49.41 54.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 128.166 2.587 . . . . 0.0 110.829 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -57.08 1.8 Allowed 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.494 2.318 . . . . 0.0 115.531 167.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -44.13 -72.49 0.06 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.157 2.183 . . . . 0.0 115.505 168.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.0 mt -46.92 -53.56 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.257 2.223 . . . . 0.0 112.934 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.26 -21.31 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.985 -1.697 . . . . 0.0 113.628 -168.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.1 p -75.27 -53.41 8.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.276 1.431 . . . . 0.0 111.286 172.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -44.05 -33.28 1.41 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.558 3.169 . . . . 0.0 119.558 166.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.43 120.72 22.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 120.214 1.37 . . . . 0.0 107.893 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -78.62 -157.24 0.11 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.372 -1.455 . . . . 0.0 109.568 -175.008 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.455 ' H ' HG22 ' A' ' 62' ' ' THR . 42.9 mt-30 -83.71 -34.98 24.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.828 -1.795 . . . . 0.0 110.325 168.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -59.14 -51.4 70.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 122.829 1.3 . . . . 0.0 111.946 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.35 -47.87 65.83 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.257 3.023 . . . . 0.0 112.349 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -49.06 -50.07 38.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 124.14 1.924 . . . . 0.0 112.995 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -52.87 8.15 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.186 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 m -38.71 -55.12 1.51 Allowed 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.332 1.878 . . . . 0.0 113.847 168.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.63 -72.36 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.63 -32.69 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-O 124.12 1.914 . . . . 0.0 106.572 -152.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.7 -39.08 27.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 130.351 3.46 . . . . 0.0 111.62 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.23 -46.0 68.45 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.534 -1.354 . . . . 0.0 111.574 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -136.41 99.9 4.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.15 0.976 . . . . 0.0 109.1 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -85.42 -37.79 19.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.434 1.494 . . . . 0.0 114.0 -173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.18 -47.74 45.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.414 2.286 . . . . 0.0 116.576 -167.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.57 -33.44 58.3 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.332 0.968 . . . . 0.0 113.851 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.53 -49.34 60.31 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 124.714 1.205 . . . . 0.0 111.332 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.6 -43.99 97.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.184 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.2 -41.95 62.06 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 126.181 1.848 . . . . 0.0 117.658 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.545 -1.562 . . . . 0.0 111.116 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.24 -42.11 85.64 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.666 -1.271 . . . . 0.0 112.454 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -65.44 -48.55 72.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.498 ' CE1' HD12 ' A' ' 19' ' ' ILE . 19.0 t80 -56.89 -49.55 75.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 124.598 1.159 . . . . 0.0 112.149 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.69 -31.32 70.59 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.687 1.595 . . . . 0.0 113.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.42 -20.87 33.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.56 -1.338 . . . . 0.0 112.617 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.5 mtm -95.13 -39.89 9.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 122.276 2.307 . . . . 0.0 112.69 168.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.98 -75.67 0.37 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.568 -1.332 . . . . 0.0 111.272 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -166.09 128.19 1.92 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 116.926 -1.91 . . . . 0.0 109.816 -160.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -76.08 143.89 41.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.942 -1.724 . . . . 0.0 110.027 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 N--CA 1.431 -1.388 0 O-C-N 120.723 -1.235 . . . . 0.0 112.642 -157.826 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 m120 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -99.79 144.03 29.33 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 155.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.18 -27.59 0.42 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 168.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 65' ' ' ASP . 49.2 mt -68.44 -43.83 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 127.077 2.151 . . . . 0.0 112.572 173.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.448 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 1.4 t70 -43.2 -62.73 0.96 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.407 1.883 . . . . 0.0 114.438 158.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 120.579 1.536 . . . . 0.0 114.577 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 61' ' ' LEU . 74.4 t -87.77 -40.24 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.591 -1.943 . . . . 0.0 110.977 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 6' ' ' ASP . 17.7 ptt180 -69.95 -23.56 63.21 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.566 -1.959 . . . . 0.0 112.571 -176.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.92 -52.21 60.9 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.429 1.891 . . . . 0.0 113.2 166.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -45.24 -51.32 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 168.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.29 -59.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.432 3.093 . . . . 0.0 111.596 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -56.0 -52.56 63.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.763 1.625 . . . . 0.0 113.308 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -70.25 -46.39 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.817 -1.177 . . . . 0.0 111.192 -173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.81 -53.7 5.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 171.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -72.66 -37.22 68.0 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.175 0.512 . . . . 0.0 109.647 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.51 -44.56 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.599 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -46.58 12.96 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 121.85 2.114 . . . . 0.0 110.62 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.325 6.1 pt -73.31 -38.1 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.801 -1.812 . . . . 0.0 115.579 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -51.83 67.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 115.279 -2.296 . . . . 0.0 115.568 -173.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -115.48 19.22 15.57 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 122.41 2.368 . . . . 0.0 116.214 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 t -126.77 -90.38 0.53 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.325 -2.109 . . . . 0.0 111.846 158.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -116.88 119.76 36.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.696 -1.877 . . . . 0.0 113.35 -153.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.6 tt0 -88.22 -49.38 7.03 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 123.948 1.832 . . . . 0.0 112.931 -170.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -25.3 -46.06 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.424 4.69 . . . . 0.0 118.489 172.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.451 HD12 ' H ' ' A' ' 27' ' ' VAL . 2.3 pp -64.42 -40.64 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.638 -1.914 . . . . 0.0 115.696 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 24' ' ' GLU 0.385 4.6 p -68.46 -32.88 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.618 -1.301 . . . . 0.0 112.851 178.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -44.06 -36.13 2.41 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 170.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -138.09 107.94 6.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.88 2.072 . . . . 0.0 108.613 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -88.4 -21.41 24.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.46 -2.65 . . . . 0.0 112.487 -136.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -7.14 3.22 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 117.442 -3.286 . . . . 0.0 117.808 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.9 -22.42 20.91 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.268 -2.77 . . . . 0.0 110.785 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.56 -50.5 25.13 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.802 -1.999 . . . . 0.0 109.067 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -55.34 -55.55 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.139 1.376 . . . . 0.0 108.613 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.73 65.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.362 -1.462 . . . . 0.0 114.403 -165.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -82.29 -16.21 50.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.282 -2.761 . . . . 0.0 109.777 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.31 0.5 OUTLIER -82.03 -14.91 55.23 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.925 -1.109 . . . . 0.0 113.691 170.651 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.95 -19.21 23.52 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.323 -2.11 . . . . 0.0 112.273 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -40.26 -41.02 1.25 Allowed 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 155.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 127.481 2.313 . . . . 0.0 116.245 168.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.81 10.03 15.23 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.959 -1.088 . . . . 0.0 112.483 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.3 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 127.095 2.158 . . . . 0.0 112.406 160.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -120.42 151.46 39.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 164.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.268 61.4 m80 -133.71 -134.72 0.17 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.866 174.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.47 78.2 0.56 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -157.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.62 -21.63 43.57 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 119.271 -2.143 . . . . 0.0 111.45 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -142.38 173.58 11.4 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 123.756 0.822 . . . . 0.0 110.922 -153.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -63.91 178.93 0.57 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.825 -1.797 . . . . 0.0 110.929 151.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.95 157.7 29.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.544 -3.223 . . . . 0.0 111.293 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -112.07 177.25 4.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -76.86 -48.84 17.19 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.57 -23.96 53.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.99 3.716 . . . . 0.0 115.927 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -63.85 -7.94 9.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.003 -1.686 . . . . 0.0 114.202 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 6.3 t80 -71.49 -14.94 62.28 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.346 1.858 . . . . 0.0 113.281 -173.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER -58.46 -57.85 11.13 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 165.231 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -83.15 -7.82 59.58 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.321 2.248 . . . . 0.0 114.252 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 54' ' ' PHE . 28.7 mm -56.68 -78.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 136.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.4 -38.05 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 116.936 -3.603 . . . . 0.0 114.906 -153.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -51.58 62.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.039 2.136 . . . . 0.0 113.494 -169.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -40.97 -31.82 0.2 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 169.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 8' ' ' VAL . 16.9 mt -75.28 150.37 38.55 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.466 1.507 . . . . 0.0 111.156 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -123.5 -156.73 0.72 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.27 -1.518 . . . . 0.0 107.982 -156.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -81.86 -31.3 31.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.264 -1.523 . . . . 0.0 111.386 168.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -44.16 -53.54 6.4 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.705 2.002 . . . . 0.0 113.019 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HA ' HD11 ' A' ' 5' ' ' ILE . 3.5 t70 -50.14 -61.28 2.25 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.352 2.661 . . . . 0.0 110.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -36.57 -65.66 0.27 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.718 2.807 . . . . 0.0 115.351 -175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -85.47 -30.6 23.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.372 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -52.86 -52.25 58.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.452 1.933 . . . . 0.0 112.361 173.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 tp -54.24 -60.5 3.25 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.535 2.334 . . . . 0.0 112.295 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.2 -35.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 124.924 2.297 . . . . 0.0 105.917 -157.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.87 -47.09 82.06 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 131.283 3.833 . . . . 0.0 111.836 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -74.03 -45.39 49.94 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.83 -1.168 . . . . 0.0 112.1 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -135.79 100.9 4.59 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.323 -0.861 . . . . 0.0 112.157 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.17 -38.65 30.92 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -76.53 -42.81 41.8 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -154.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.59 90.35 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 120.561 -1.337 . . . . 0.0 114.465 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.02 -51.85 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.85 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.72 -32.89 74.48 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.29 -1.506 . . . . 0.0 113.037 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.22 82.7 Favored Glycine 0 N--CA 1.43 -1.723 0 C-N-CA 125.299 1.428 . . . . 0.0 115.727 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m -83.73 -36.58 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.975 -1.309 . . . . 0.0 110.083 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.51 -42.72 82.37 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.659 1.183 . . . . 0.0 113.139 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -57.83 -46.21 85.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.664 -1.273 . . . . 0.0 112.67 174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -40.6 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.865 -1.147 . . . . 0.0 112.537 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 tp -49.45 -47.53 48.21 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 121.23 1.832 . . . . 0.0 115.255 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.51 -35.59 80.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 123.937 0.895 . . . . 0.0 112.245 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.6 ttm -73.63 -45.44 52.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.387 22.8 p90 -83.18 -72.91 0.43 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 120.511 -1.368 . . . . 0.0 113.347 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.83 132.34 1.79 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 121.745 2.066 . . . . 0.0 111.432 -169.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.39 141.43 28.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.535 -1.353 . . . . 0.0 109.142 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 tptp . . . . . 0 N--CA 1.43 -1.463 0 O-C-N 119.775 -1.828 . . . . 0.0 109.799 -172.382 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 122.06 0.933 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -113.85 150.05 34.15 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.624 -1.922 . . . . 0.0 106.812 157.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.98 -37.69 77.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.641 1.176 . . . . 0.0 112.355 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.27 -53.21 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 126.681 1.992 . . . . 0.0 111.154 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -36.85 -54.64 0.92 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 128.863 2.865 . . . . 0.0 116.896 159.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 m -63.45 -51.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 111.664 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 11' ' ' ILE . 59.1 t -58.3 -46.26 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -37.68 88.18 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.748 -2.47 . . . . 0.0 112.332 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -58.93 -39.52 81.86 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 126.969 2.108 . . . . 0.0 114.938 169.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.557 HG12 ' HA ' ' A' ' 8' ' ' VAL . 19.6 mm -54.34 -50.89 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.47 -52.63 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 125.647 1.579 . . . . 0.0 111.029 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -52.5 -61.69 2.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.521 2.328 . . . . 0.0 113.704 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -70.46 -36.68 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 123.787 0.835 . . . . 0.0 111.454 -166.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.84 29.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -59.12 -45.17 91.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.607 1.563 . . . . 0.0 111.703 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.7 pt -69.27 -20.12 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 18' ' ' LEU . 1.5 tt -82.48 -46.44 13.45 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 121.255 1.843 . . . . 0.0 111.31 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 29.6 pt -71.61 -33.04 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -174.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -38.78 -91.31 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 127.288 2.235 . . . . 0.0 116.685 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.77 18.63 17.72 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.558 2.89 . . . . 0.0 113.988 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -120.72 -81.56 0.64 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.753 -1.217 . . . . 0.0 114.01 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -143.87 111.1 5.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.735 -1.228 . . . . 0.0 109.649 -164.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -87.37 -25.81 23.65 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.335 1.454 . . . . 0.0 112.581 -174.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -38.71 -37.37 0.33 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.102 2.961 . . . . 0.0 116.716 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -45.83 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 126.671 1.988 . . . . 0.0 112.754 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 1.5 p -75.21 -30.63 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.105 -1.622 . . . . 0.0 114.533 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.31 -37.65 75.51 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.148 1.779 . . . . 0.0 115.371 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -109.15 86.25 2.25 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HG2' ' H ' ' A' ' 30' ' ' ARG . 14.9 mmt85 -41.63 -44.23 3.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.691 3.219 . . . . 0.0 119.691 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -19.74 65.97 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.163 -1.586 . . . . 0.0 114.274 -177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -81.32 -40.29 23.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.13 1.772 . . . . 0.0 110.617 173.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 1.5 t80 -58.53 -56.08 26.77 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.743 1.217 . . . . 0.0 110.688 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.76 -56.11 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 119.774 -1.829 . . . . 0.0 111.184 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.95 -8.36 43.79 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -83.56 -30.95 26.63 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.922 -1.111 . . . . 0.0 110.504 165.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.26 -18.82 62.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.288 -2.758 . . . . 0.0 114.166 162.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -72.9 -46.36 53.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 118.048 -2.907 . . . . 0.0 111.016 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -37.46 -50.87 1.11 Allowed 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 164.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.97 -37.19 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.059 1.744 . . . . 0.0 112.843 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.49 43.54 0.89 Allowed Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 124.159 0.885 . . . . 0.0 112.001 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 133.93 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-O 124.547 2.118 . . . . 0.0 113.856 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -143.86 170.17 16.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.458 2.703 . . . . 0.0 110.217 -152.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -145.94 -128.93 0.07 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.225 1.01 . . . . 0.0 110.601 179.532 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -75.68 77.15 2.66 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.951 1.301 . . . . 0.0 112.416 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.81 -24.02 6.26 Favored Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 125.118 1.342 . . . . 0.0 114.774 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -117.25 162.24 18.2 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.527 -1.572 . . . . 0.0 110.43 -166.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 69.6 mmtt -55.11 147.26 16.45 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.132 2.173 . . . . 0.0 111.528 164.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 tp -74.59 123.35 24.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 118.858 -2.401 . . . . 0.0 112.081 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.54 149.13 28.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.748 1.219 . . . . 0.0 113.009 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.19 -33.16 72.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.619 -1.301 . . . . 0.0 113.338 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -67.38 -16.12 64.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -82.59 22.94 0.83 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.01 -38.36 70.38 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -50.58 72.92 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.956 -1.715 . . . . 0.0 113.63 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -24.7 39.14 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.2 mt -87.07 -69.22 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 124.676 1.191 . . . . 0.0 112.149 162.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.14 -37.6 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 117.149 -3.47 . . . . 0.0 114.823 -151.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.254 6.3 p -81.04 -1.15 42.88 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -88.2 -15.19 36.64 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.023 -1.673 . . . . 0.0 111.782 167.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.66 124.09 31.81 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.186 1.394 . . . . 0.0 111.125 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -90.67 -177.29 4.97 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.812 -1.805 . . . . 0.0 109.673 178.092 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.409 ' H ' HG22 ' A' ' 62' ' ' THR . 86.8 mt-30 -61.75 -39.36 91.33 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.631 -1.918 . . . . 0.0 112.976 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.45 -60.82 1.02 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 128.862 2.865 . . . . 0.0 114.214 163.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.57 -45.88 77.83 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.967 2.107 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -52.45 50.72 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 127.302 2.241 . . . . 0.0 112.289 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -80.99 -33.0 34.05 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.86 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -52.38 -45.96 66.01 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 120.062 1.301 . . . . 0.0 112.973 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.39 -53.5 57.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.175 1.79 . . . . 0.0 112.305 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.92 -52.48 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 127.195 2.198 . . . . 0.0 113.278 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -56.03 16.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.025 2.13 . . . . 0.0 114.294 175.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -35.84 67.56 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.876 -1.14 . . . . 0.0 113.753 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -122.76 70.54 1.01 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 122.463 1.125 . . . . 0.0 111.382 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.77 -23.78 58.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.663 -1.898 . . . . 0.0 112.335 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.36 -40.25 77.7 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.213 1.805 . . . . 0.0 113.879 170.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.01 97.67 Favored Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 124.453 1.025 . . . . 0.0 114.237 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.18 -52.92 63.53 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.631 1.572 . . . . 0.0 111.867 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -43.8 -65.97 0.44 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.207 2.203 . . . . 0.0 114.911 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.2 -57.69 15.84 Favored Glycine 0 N--CA 1.43 -1.744 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.89 -22.0 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -62.23 -54.66 37.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.317 -1.489 . . . . 0.0 111.54 169.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -67.33 -38.1 84.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.889 -1.132 . . . . 0.0 113.594 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.3 t80 -61.88 -47.03 86.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.802 -1.186 . . . . 0.0 112.451 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.94 -42.19 98.83 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.365 -1.459 . . . . 0.0 113.537 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -47.81 84.09 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.411 -0.806 . . . . 0.0 112.428 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.7 mmm -80.67 -41.1 24.32 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -97.77 -74.18 0.59 Allowed 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.674 -1.266 . . . . 0.0 113.507 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 t -168.19 167.4 12.31 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.471 -1.393 . . . . 0.0 110.234 -153.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -99.52 132.37 44.9 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.933 -1.104 . . . . 0.0 110.799 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt . . . . . 0 N--CA 1.43 -1.447 0 O-C-N 120.353 -1.467 . . . . 0.0 110.072 174.005 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 N--CA 1.429 -1.479 0 CA-C-O 123.786 1.755 . . . . 0.0 107.141 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -151.4 -86.03 0.07 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 131.449 3.899 . . . . 0.0 108.825 -163.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -86.59 -36.48 18.85 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.185 -1.572 . . . . 0.0 111.135 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.267 0.0 OUTLIER -68.27 -27.93 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 119.92 1.236 . . . . 0.0 113.879 176.119 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -45.93 -63.4 0.98 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 153.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -51.83 -56.86 11.45 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.983 1.713 . . . . 0.0 114.253 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -48.19 -57.93 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.404 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 167.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.39 -34.28 73.68 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.489 -2.007 . . . . 0.0 113.524 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.42 -44.03 88.93 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 170.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.7 -32.04 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 125.314 1.446 . . . . 0.0 111.517 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -36.76 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.532 -1.355 . . . . 0.0 109.565 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -65.12 -57.7 7.91 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.765 1.626 . . . . 0.0 111.31 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.47 -29.86 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.83 51.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.343 -1.473 . . . . 0.0 113.76 172.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -70.88 -40.44 72.25 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.743 -1.848 . . . . 0.0 112.236 170.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.01 -53.91 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.088 2.155 . . . . 0.0 112.378 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -36.78 -64.65 0.33 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.053 2.541 . . . . 0.0 116.363 164.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 83' ' ' TYR . 23.0 pt -77.53 -31.55 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -173.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -49.58 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.179 1.391 . . . . 0.0 113.98 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -112.87 18.39 18.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -124.46 -83.3 0.65 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.112 -1.618 . . . . 0.0 111.813 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -142.74 119.98 11.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.566 1.174 . . . . 0.0 113.376 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.9 -19.95 28.11 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.544 1.537 . . . . 0.0 109.985 171.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -59.64 -29.92 68.37 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-O 125.218 2.437 . . . . 0.0 113.272 -170.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.15 -30.74 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 128.465 2.706 . . . . 0.0 109.285 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -25.99 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.189 1.796 . . . . 0.0 112.341 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.33 1.38 11.7 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.974 -1.704 . . . . 0.0 113.868 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.01 97.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.804 1.242 . . . . 0.0 107.893 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -15.92 63.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.657 -1.902 . . . . 0.0 115.513 -167.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.49 -40.86 49.05 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.248 -1.533 . . . . 0.0 112.319 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.32 -52.68 57.27 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.387 -1.446 . . . . 0.0 111.985 169.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -37.91 -47.76 1.09 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -80.55 -36.56 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.032 1.733 . . . . 0.0 109.555 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.09 74.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 111.641 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.33 -46.93 82.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.056 -1.652 . . . . 0.0 113.244 166.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.316 0.8 OUTLIER -71.94 -10.05 59.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 177.717 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.29 -35.54 58.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.763 -1.836 . . . . 0.0 111.516 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.62 -42.96 3.61 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.235 2.214 . . . . 0.0 116.372 161.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -50.2 -33.56 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 119.458 -2.026 . . . . 0.0 116.41 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.41 34.09 2.17 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.476 -1.39 . . . . 0.0 112.81 -168.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.92 103.62 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.898 -1.354 . . . . 0.0 111.462 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -124.41 138.67 54.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.751 1.62 . . . . 0.0 108.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -108.88 -131.43 0.31 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 116.744 -1.598 . . . . 0.0 107.173 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.0 78.9 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.545 1.975 . . . . 0.0 115.395 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.39 -28.13 1.02 Allowed Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.111 -2.243 . . . . 0.0 117.091 -169.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -115.99 170.88 8.15 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.037 1.335 . . . . 0.0 112.972 -158.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -77.93 164.13 25.39 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 129.627 3.171 . . . . 0.0 110.021 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 tp -93.94 128.43 40.24 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.259 -2.15 . . . . 0.0 112.044 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -87.6 160.13 18.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.197 1.799 . . . . 0.0 112.746 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -92.92 -4.06 53.45 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.728 -1.233 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -107.67 -7.47 16.41 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.258 1.423 . . . . 0.0 113.715 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.9 p -89.67 15.73 9.08 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -44.75 -52.51 8.31 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.782 2.033 . . . . 0.0 114.644 163.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.49 -42.62 4.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -95.15 -15.81 23.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.711 1.204 . . . . 0.0 111.708 -176.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.86 -52.54 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 119.56 -1.963 . . . . 0.0 109.345 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.07 -37.77 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.78 -1.2 . . . . 0.0 113.289 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -50.55 -27.94 7.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 171.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.37 -16.25 16.28 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.786 -2.446 . . . . 0.0 114.358 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.28 100.64 0.48 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.531 1.932 . . . . 0.0 112.025 163.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.5 p -84.11 -166.64 1.48 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -70.63 -40.04 73.36 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 117.817 -3.052 . . . . 0.0 115.723 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -34.85 -58.04 0.52 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 118.092 2.627 . . . . 0.0 118.092 155.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -48.31 76.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.426 2.29 . . . . 0.0 111.363 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -49.49 -56.37 10.02 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.832 1.653 . . . . 0.0 112.464 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -58.72 -45.71 88.99 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.344 -1.472 . . . . 0.0 113.614 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.5 m -53.87 -45.49 71.02 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.282 3.033 . . . . 0.0 115.71 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.08 -65.19 0.64 Allowed 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.828 1.775 . . . . 0.0 114.792 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mm -47.75 -65.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 1 C-N-CA 133.557 4.743 . . . . 0.0 112.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.32 -50.65 72.09 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.862 2.465 . . . . 0.0 116.87 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.99 -45.88 47.22 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.218 0.917 . . . . 0.0 112.464 -172.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.05 79.24 1.82 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.233 1.016 . . . . 0.0 111.309 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.015 1.726 . . . . 0.0 114.086 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.39 -47.62 78.59 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.031 2.132 . . . . 0.0 116.438 -171.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.31 54.03 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 120.707 -1.246 . . . . 0.0 112.336 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.21 -46.58 83.27 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.363 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.08 -37.69 77.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.308 -1.495 . . . . 0.0 114.013 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.07 -25.82 47.21 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 119.943 -1.723 . . . . 0.0 112.949 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.316 1.7 p -80.98 -32.41 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 122.181 -0.599 . . . . 0.0 110.324 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -41.59 98.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 120.143 1.338 . . . . 0.0 114.126 173.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -61.98 -44.06 97.53 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.321 -1.487 . . . . 0.0 114.103 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CD1' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -68.66 -32.17 71.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.505 -1.372 . . . . 0.0 113.167 176.326 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.45 -39.7 81.36 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.113 2.165 . . . . 0.0 114.083 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.85 -45.12 71.91 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.36 -1.462 . . . . 0.0 112.578 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.2 ttm -56.83 -53.95 51.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -113.63 -9.41 13.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.532 2.733 . . . . 0.0 116.675 -165.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 0.5 OUTLIER 90.71 -46.51 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.199 2.272 . . . . 0.0 113.876 150.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -96.78 127.51 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.054 -1.654 . . . . 0.0 109.065 171.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt . . . . . 0 N--CA 1.43 -1.446 0 C-N-CA 124.649 1.179 . . . . 0.0 112.645 -169.628 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 N--CA 1.43 -1.469 0 CA-C-O 122.072 0.939 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -147.25 176.3 10.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.262 1.825 . . . . 0.0 106.393 -173.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.07 19.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 -170.222 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.454 ' H ' HG13 ' A' ' 5' ' ' ILE . 42.3 mt -33.66 -62.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.332 2.653 . . . . 0.0 116.321 147.164 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.3 t70 -49.02 -57.64 6.22 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.553 1.941 . . . . 0.0 116.231 170.115 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -61.2 -30.95 70.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.481 -2.012 . . . . 0.0 114.006 -177.158 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 61' ' ' LEU . 72.8 t -82.76 -48.56 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 127.434 2.293 . . . . 0.0 114.096 176.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 20.4 ptt180 -61.53 -18.21 58.14 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 118.996 -2.315 . . . . 0.0 114.01 170.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.98 -58.71 3.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.921 1.289 . . . . 0.0 110.481 167.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -42.48 -50.36 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 126.499 1.92 . . . . 0.0 115.508 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -79.75 -55.48 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.208 -1.558 . . . . 0.0 110.785 -172.437 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.5 m -56.07 -52.49 64.11 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.389 1.476 . . . . 0.0 113.144 -176.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.57 -44.29 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 CA-C-N 118.509 0.595 . . . . 0.0 110.154 -174.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.63 64.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 167.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.7 m -65.14 -41.91 94.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.716 1.207 . . . . 0.0 112.337 -176.076 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.27 -49.74 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.369 1.867 . . . . 0.0 112.352 173.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -84.25 -47.39 10.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.821 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.608 HD12 ' CE1' ' A' ' 83' ' ' TYR . 21.5 pt -61.85 -31.08 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 122.537 2.426 . . . . 0.0 115.71 -173.415 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.07 -71.66 0.06 Allowed 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 162.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -115.3 15.64 16.89 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.252 1.501 . . . . 0.0 112.184 -173.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -108.81 -72.14 0.73 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.064 -1.023 . . . . 0.0 111.526 176.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 127.54 0.33 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 123.44 1.591 . . . . 0.0 112.886 -153.31 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.79 -39.42 15.94 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.983 3.713 . . . . 0.0 110.829 173.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -24.07 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.803 2.841 . . . . 0.0 118.578 165.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.77 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.673 1.989 . . . . 0.0 112.482 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.371 9.1 m -59.45 -42.79 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.389 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.685 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -42.45 -33.33 0.65 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 177.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.45 83.96 2.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 169.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.256 14.1 mtm180 -25.99 -45.1 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.451 1 N-CA-C 123.799 4.74 . . . . 0.0 123.799 177.205 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.02 17.21 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 122.969 2.622 . . . . 0.0 116.729 174.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -89.89 -42.15 11.39 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.055 -1.653 . . . . 0.0 108.286 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -40.15 -49.12 2.61 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.956 3.317 . . . . 0.0 119.956 158.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -69.85 -45.8 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 126.899 2.08 . . . . 0.0 106.029 -175.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -14.57 62.72 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 117.995 -2.941 . . . . 0.0 115.62 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.6 -14.34 54.97 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 123.824 3.011 . . . . 0.0 106.921 175.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.18 -21.88 39.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.297 -1.502 . . . . 0.0 110.082 170.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -84.02 -9.87 58.32 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.233 -2.167 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.15 -52.47 23.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.892 1.677 . . . . 0.0 114.082 160.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -46.82 -36.86 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 173.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.48 42.84 6.37 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-O 119.311 -0.716 . . . . 0.0 113.91 -171.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -90.0 119.09 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 143.49 43.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.236 -1.54 . . . . 0.0 109.223 -168.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.252 19.0 m-70 -117.55 -112.49 0.34 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 119.809 1.186 . . . . 0.0 110.833 177.379 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.9 67.91 4.73 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.988 -1.07 . . . . 0.0 112.65 -166.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.11 -24.99 4.38 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 118.692 -2.505 . . . . 0.0 114.788 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -132.04 134.29 45.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.947 -1.326 . . . . 0.0 111.587 -153.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -44.71 124.86 4.54 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.799 2.039 . . . . 0.0 114.282 163.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.53 111.52 10.92 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.488 -2.008 . . . . 0.0 111.554 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -90.22 179.07 6.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.669 1.588 . . . . 0.0 110.135 173.061 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.68 -35.35 70.27 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.957 2.313 . . . . 0.0 109.255 -166.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -58.08 -25.86 61.83 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.934 4.094 . . . . 0.0 114.498 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -68.0 -12.38 60.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.717 -1.239 . . . . 0.0 113.758 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.6 -14.4 62.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.97 -1.706 . . . . 0.0 115.312 -177.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -69.2 -49.05 60.12 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.174 -1.578 . . . . 0.0 110.662 173.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.15 -49.27 32.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.509 2.724 . . . . 0.0 114.844 168.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.59 -75.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 128.004 2.522 . . . . 0.0 112.68 164.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.44 -21.71 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 122.007 2.185 . . . . 0.0 116.33 -155.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -88.2 -34.55 17.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 113.986 175.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -84.04 6.98 20.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.404 -2.06 . . . . 0.0 115.54 169.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD11 HG21 ' A' ' 8' ' ' VAL . 96.2 mt -89.17 132.17 34.96 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.34 -1.475 . . . . 0.0 108.188 146.635 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -114.97 -158.2 0.66 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.827 1.651 . . . . 0.0 106.763 -166.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -73.93 -47.57 36.79 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 162.003 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.73 -34.72 76.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.977 -1.702 . . . . 0.0 111.657 -166.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.85 -50.64 72.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.142 2.177 . . . . 0.0 112.189 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -44.35 -47.3 9.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.742 2.417 . . . . 0.0 114.376 173.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -74.22 -55.87 5.55 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.259 -0.901 . . . . 0.0 112.95 -176.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.9 m -37.42 -46.81 0.82 Allowed 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 130.444 3.497 . . . . 0.0 115.457 163.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.24 -63.18 1.18 Allowed 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 169.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.36 -42.5 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.254 2.622 . . . . 0.0 110.651 -165.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.68 -27.02 67.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 131.567 3.947 . . . . 0.0 111.874 -171.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.15 -47.16 9.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.155 -0.965 . . . . 0.0 112.567 174.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -126.56 86.55 2.53 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -175.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.84 -29.33 23.83 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.243 1.017 . . . . 0.0 110.334 178.311 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.73 -51.71 67.77 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.483 1.513 . . . . 0.0 113.144 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.64 -25.49 75.47 Favored Glycine 0 N--CA 1.43 -1.703 0 O-C-N 120.854 -1.154 . . . . 0.0 115.415 173.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -65.94 -50.47 64.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.279 1.432 . . . . 0.0 111.022 175.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.02 -50.25 74.46 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.978 -1.077 . . . . 0.0 111.295 168.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.08 -35.74 8.76 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 118.241 2.056 . . . . 0.0 118.241 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.01 -22.19 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 119.559 -2.142 . . . . 0.0 110.455 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -70.31 -33.43 71.53 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.75 -1.844 . . . . 0.0 111.362 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.192 1.397 . . . . 0.0 112.489 168.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 19' ' ' ILE . 4.6 t80 -66.64 -39.27 88.17 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.574 -1.329 . . . . 0.0 112.897 172.609 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.4 -53.71 55.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.837 1.655 . . . . 0.0 114.628 177.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.14 -33.52 70.14 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.174 0.99 . . . . 0.0 111.865 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 ttt -68.17 -52.49 33.93 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 169.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -105.87 -73.08 0.69 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.646 -1.908 . . . . 0.0 116.118 -169.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 t -163.35 141.88 8.07 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.104 -141.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -111.61 105.13 13.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.665 -1.897 . . . . 0.0 113.692 177.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.471 0 C-N-CA 124.974 1.31 . . . . 0.0 109.953 154.247 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.42 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -140.37 95.36 2.86 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 143.066 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.95 -8.91 53.26 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 178.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -82.01 -50.29 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 126.632 1.973 . . . . 0.0 108.743 -176.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.47 70.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.489 1.516 . . . . 0.0 112.44 168.352 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.5 m -57.09 -36.72 70.94 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 169.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.08 -41.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 118.986 -2.321 . . . . 0.0 111.114 -174.585 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -12.87 60.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.76 -1.837 . . . . 0.0 112.831 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.59 -50.49 58.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.549 -1.344 . . . . 0.0 111.704 161.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.06 -49.42 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 125.376 1.47 . . . . 0.0 113.659 174.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.02 -38.43 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 124.998 1.319 . . . . 0.0 112.164 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -59.17 -62.59 1.77 Allowed 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.723 -1.236 . . . . 0.0 111.364 171.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.54 -12.34 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.995 -1.691 . . . . 0.0 114.471 -171.247 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.4 -34.62 17.49 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.094 0.958 . . . . 0.0 111.176 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -84.85 -33.97 22.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.865 -1.147 . . . . 0.0 110.598 -178.014 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.62 -21.99 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.601 -1.312 . . . . 0.0 110.901 170.091 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -64.53 -71.2 0.19 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.473 -2.017 . . . . 0.0 114.542 166.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 18.3 pt -70.79 -36.29 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -160.762 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -38.97 -64.09 0.48 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.474 2.31 . . . . 0.0 115.196 -178.328 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -110.61 43.84 1.35 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.028 1.731 . . . . 0.0 113.039 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.5 m -135.72 -96.05 0.24 Allowed 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 113.016 173.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.06 143.71 29.57 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.895 1.278 . . . . 0.0 107.667 -172.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.51 -34.74 60.83 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 125.011 2.338 . . . . 0.0 111.716 172.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.05 -24.08 2.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.978 2.911 . . . . 0.0 116.522 -162.209 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -69.76 -46.91 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 118.971 -2.33 . . . . 0.0 112.902 170.746 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.43 -8.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 126.627 1.971 . . . . 0.0 113.441 176.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.59 -24.99 66.41 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -128.13 136.91 51.8 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 160.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -76.94 -19.61 57.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 125.343 3.701 . . . . 0.0 114.799 -174.248 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.53 1.12 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.374 1.47 . . . . 0.0 114.808 169.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -35.7 -47.17 0.47 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 121.55 3.907 . . . . 0.0 121.55 155.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' HG22 ' A' ' 26' ' ' ILE . 4.9 t80 -58.21 -55.0 40.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.833 2.053 . . . . 0.0 112.497 176.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.1 mt -61.24 -41.66 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 126.52 1.928 . . . . 0.0 110.62 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.75 90.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.844 0.83 . . . . 0.0 110.162 -176.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.03 -34.88 22.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 159.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.91 -13.86 60.97 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 117.135 -3.478 . . . . 0.0 114.421 173.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -75.63 -39.6 57.53 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 118.961 -2.337 . . . . 0.0 112.837 169.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -44.88 -30.32 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.524 3.527 . . . . 0.0 120.524 154.105 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.76 -23.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.504 -1.997 . . . . 0.0 110.504 169.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.09 42.8 4.88 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 119.054 -2.279 . . . . 0.0 111.967 164.556 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.27 114.84 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 126.13 1.772 . . . . 0.0 112.472 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.8 p -99.51 149.5 23.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.021 -2.299 . . . . 0.0 115.357 -157.092 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HE1' ' HB2' ' A' ' 47' ' ' ARG . 2.3 p-80 -131.63 -176.72 4.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 163.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -45.88 92.88 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 -27.34 6.85 Favored Glycine 0 N--CA 1.429 -1.772 0 C-N-CA 126.84 2.162 . . . . 0.0 116.772 175.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB2' ' HE1' ' A' ' 44' ' ' HIS . 65.6 mtt180 -135.12 172.19 13.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 119.502 1.651 . . . . 0.0 110.556 -168.46 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 174.71 11.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.471 -2.018 . . . . 0.0 108.316 171.325 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -97.85 122.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.773 -1.83 . . . . 0.0 112.903 -168.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -96.13 179.93 4.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.967 1.307 . . . . 0.0 109.76 172.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -72.32 -55.03 7.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.573 -1.954 . . . . 0.0 110.022 -163.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -36.31 -37.36 0.12 Allowed 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 132.688 4.395 . . . . 0.0 118.01 -178.368 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -85.21 15.29 4.35 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.461 -2.025 . . . . 0.0 114.787 -174.052 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -54.98 -34.6 63.49 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.473 1.909 . . . . 0.0 113.522 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -32.47 -68.98 0.09 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.688 2.106 . . . . 0.0 116.688 153.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -84.88 -9.27 58.29 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.993 -1.692 . . . . 0.0 115.079 -171.862 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -45.73 -67.77 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 120.236 -1.54 . . . . 0.0 115.042 148.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.56 -32.56 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -165.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -48.67 -45.48 38.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.713 2.005 . . . . 0.0 115.004 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -66.69 -13.66 61.55 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.56 147.11 27.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.995 1.379 . . . . 0.0 113.299 -168.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.4 m -124.08 151.51 43.77 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 128.315 2.646 . . . . 0.0 107.351 -176.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -25.07 -31.4 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 132.932 4.493 . . . . 0.0 120.927 176.063 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -33.52 -53.49 0.42 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.725 2.81 . . . . 0.0 113.211 161.13 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -50.65 -54.08 25.8 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 129.383 3.073 . . . . 0.0 113.645 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -57.28 -45.57 83.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.695 1.998 . . . . 0.0 111.092 -164.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.54 -40.7 18.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.253 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.6 m -52.51 -51.23 60.54 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.516 1.526 . . . . 0.0 113.789 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.87 -60.21 3.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.33 1.452 . . . . 0.0 112.638 175.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.71 -32.51 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.695 -1.253 . . . . 0.0 112.468 -169.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.81 -45.22 67.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.107 -1.62 . . . . 0.0 115.192 171.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -73.93 -46.72 42.5 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.012 -1.68 . . . . 0.0 112.328 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -107.71 26.43 10.31 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.327 1.451 . . . . 0.0 112.882 -157.067 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -49.06 -53.37 20.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.36 2.264 . . . . 0.0 113.597 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.335 1.054 . . . . 0.0 113.518 179.545 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.57 89.7 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 124.939 1.257 . . . . 0.0 113.911 177.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -65.97 -51.92 54.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.461 1.904 . . . . 0.0 112.046 175.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.15 -39.96 88.21 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 178.438 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.19 -57.37 17.09 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.361 0.981 . . . . 0.0 113.571 175.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.04 -32.18 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.309 -1.701 . . . . 0.0 115.386 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -53.3 -45.3 68.91 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.221 1.409 . . . . 0.0 112.165 172.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.62 -28.75 66.19 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 11.5 t80 -66.14 -44.43 84.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.543 -1.973 . . . . 0.0 110.583 170.654 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.79 -38.44 91.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.573 1.549 . . . . 0.0 113.023 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.81 -45.91 80.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.564 -1.335 . . . . 0.0 112.344 172.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.6 mmt -79.23 -39.55 32.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 120.037 1.29 . . . . 0.0 114.097 -174.349 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.6 -69.95 0.72 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 121.725 2.057 . . . . 0.0 112.888 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.56 145.39 4.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.731 -157.123 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -110.33 86.58 2.33 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.119 0.968 . . . . 0.0 109.393 -173.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -170.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt . . . . . 0 N--CA 1.43 -1.445 0 CA-C-O 124.065 1.888 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.48 -18.01 37.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 114.662 -1.154 . . . . 0.0 107.976 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.58 -52.14 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.569 1.548 . . . . 0.0 110.145 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 -59.45 2.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 130.82 3.648 . . . . 0.0 112.756 167.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -49.63 -62.28 1.64 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.13 -41.31 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.455 1.902 . . . . 0.0 114.478 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -65.31 -31.34 72.43 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.171 2.259 . . . . 0.0 112.013 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.112 1.365 . . . . 0.0 113.304 172.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.43 -61.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.854 -1.154 . . . . 0.0 112.074 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.33 -47.2 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.144 1.378 . . . . 0.0 114.189 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -67.87 -40.06 83.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.139 -1.6 . . . . 0.0 113.082 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.62 -35.97 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.804 -1.185 . . . . 0.0 110.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.32 -54.67 42.7 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -51.89 -50.25 61.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.16 2.184 . . . . 0.0 113.271 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.45 -42.25 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.558 1.072 . . . . 0.0 113.185 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.444 HD11 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -77.82 -22.74 49.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.635 -1.291 . . . . 0.0 113.19 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.298 13.0 pt -85.67 -57.39 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 118.611 -2.555 . . . . 0.0 115.147 169.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.255 1.7 tmtp? -29.6 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.876 3.27 . . . . 0.0 116.057 -174.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.32 18.3 22.09 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 125.227 3.649 . . . . 0.0 111.893 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -125.2 -76.87 0.59 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -171.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt85 -140.77 91.35 2.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.392 -1.442 . . . . 0.0 112.024 -160.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.43 -31.49 18.79 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.321 -1.487 . . . . 0.0 113.013 -172.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.86 -13.84 2.96 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 129.104 2.961 . . . . 0.0 116.845 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD11 ' A' ' 18' ' ' LEU . 7.0 pt -96.15 -21.99 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 126.311 1.844 . . . . 0.0 112.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG21 HG21 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -76.39 -23.55 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.168 1.387 . . . . 0.0 111.798 173.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -49.76 -58.95 4.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.713 2.805 . . . . 0.0 115.558 165.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.78 89.37 2.99 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.988 1.715 . . . . 0.0 107.096 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.01 -5.32 16.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -157.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.01 55.66 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 120.065 1.302 . . . . 0.0 111.41 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -66.35 -45.22 80.94 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.83 1.252 . . . . 0.0 110.63 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.03 -51.79 22.7 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.518 1.527 . . . . 0.0 114.728 167.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.9 -53.26 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.973 1.709 . . . . 0.0 110.802 -173.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.88 -13.14 60.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.08 -25.2 25.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.769 2.077 . . . . 0.0 110.825 166.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -33.05 51.79 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.279 -1.513 . . . . 0.0 111.989 175.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -72.44 -39.48 67.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.66 -2.525 . . . . 0.0 113.216 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -33.6 -43.53 0.13 Allowed 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.144 2.978 . . . . 0.0 117.219 163.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.18 -37.52 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.706 2.402 . . . . 0.0 115.822 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.42 23.46 5.71 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 120.24 -1.538 . . . . 0.0 112.649 -164.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -83.33 109.73 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -117.31 155.87 28.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 121.652 2.024 . . . . 0.0 112.54 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -128.01 -125.48 0.22 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.471 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -86.36 66.2 9.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.64 -166.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.53 -11.2 19.68 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.597 1.57 . . . . 0.0 114.923 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.67 174.73 10.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.082 1.353 . . . . 0.0 110.807 -159.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -79.47 171.26 15.4 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.77 -1.206 . . . . 0.0 111.105 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -81.22 132.35 35.34 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.863 -1.773 . . . . 0.0 112.893 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -108.01 139.11 43.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.444 1.498 . . . . 0.0 108.465 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -70.65 -18.65 62.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.681 -1.887 . . . . 0.0 113.452 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -63.75 -28.33 69.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.416 2.286 . . . . 0.0 113.594 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m -78.81 7.45 7.05 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.74 -28.76 57.56 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.986 -2.321 . . . . 0.0 115.423 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -60.67 -43.71 97.36 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.793 -1.817 . . . . 0.0 113.282 168.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.07 -13.82 62.66 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.226 3.011 . . . . 0.0 115.416 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -82.29 -69.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.122 -0.986 . . . . 0.0 109.037 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.49 -27.71 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.763 -1.21 . . . . 0.0 114.23 -159.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -72.73 -37.52 67.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.193 -0.942 . . . . 0.0 111.353 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -4.23 44.94 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.935 2.494 . . . . 0.0 116.825 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.01 157.56 19.42 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.362 -1.461 . . . . 0.0 108.433 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -114.6 -177.07 3.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.37 -36.04 71.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.738 -1.851 . . . . 0.0 110.914 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -50.65 -47.66 58.49 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 125.783 2.706 . . . . 0.0 112.91 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.28 -38.3 68.82 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.725 2.81 . . . . 0.0 113.105 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -52.9 -50.66 63.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.002 -1.061 . . . . 0.0 112.247 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -62.91 -55.98 21.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.879 1.672 . . . . 0.0 110.557 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.9 m -38.97 -53.21 1.77 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 131.659 3.984 . . . . 0.0 115.959 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -45.54 83.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 124.499 2.095 . . . . 0.0 112.014 -174.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.88 -58.59 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 110.878 -2.874 . . . . 0.0 109.851 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -43.83 81.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -176.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -71.58 -45.69 61.48 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.301 -1.499 . . . . 0.0 113.432 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.88 63.38 0.92 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 110.423 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.32 -29.16 66.93 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.796 -1.19 . . . . 0.0 112.288 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -54.99 -45.31 75.03 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.15 1.78 . . . . 0.0 112.749 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.34 -31.27 57.32 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 124.362 0.982 . . . . 0.0 114.234 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.15 -55.89 14.12 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 118.196 0.998 . . . . 0.0 111.231 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.86 -41.94 83.46 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 113.112 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.36 -57.7 7.07 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.066 1.317 . . . . 0.0 114.907 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.62 -30.44 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 119.18 1.49 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -62.23 -38.14 88.06 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.203 -1.561 . . . . 0.0 112.474 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -66.95 -41.83 86.26 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.391 -1.443 . . . . 0.0 113.375 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.8 t80 -59.81 -47.23 86.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.712 1.205 . . . . 0.0 111.191 172.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.76 -52.86 54.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.884 2.074 . . . . 0.0 115.515 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.33 -30.86 66.7 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.552 -1.343 . . . . 0.0 113.568 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.9 ttm -89.04 -42.73 11.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -87.12 -74.15 0.45 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.553 -1.342 . . . . 0.0 111.532 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.429 0 C-N-CA 118.393 -1.323 . . . . 0.0 109.758 -167.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -71.66 -16.01 62.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.629 -1.919 . . . . 0.0 113.47 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.08 -57.35 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 126.16 1.784 . . . . 0.0 109.872 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -54.02 -43.92 70.53 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 125.925 1.69 . . . . 0.0 112.465 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -53.59 -64.86 0.69 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.156 1.382 . . . . 0.0 111.861 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 97.0 t -81.16 -28.65 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 121.797 2.09 . . . . 0.0 112.584 -171.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -72.16 -12.34 61.14 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.668 -1.895 . . . . 0.0 113.386 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -76.33 -48.49 19.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.873 162.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -47.44 -46.73 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 121.81 2.095 . . . . 0.0 114.8 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -53.99 -56.35 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.898 2.079 . . . . 0.0 111.294 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 m -64.27 -58.78 5.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.57 -1.956 . . . . 0.0 114.618 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.271 6.6 m -50.16 -35.13 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 175.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.68 -32.63 64.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.104 -2.248 . . . . 0.0 114.332 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 p -73.93 -39.67 63.62 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 123.719 0.807 . . . . 0.0 112.194 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.91 -44.81 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.602 1.561 . . . . 0.0 112.772 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -54.17 14.29 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.412 -1.43 . . . . 0.0 111.072 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 19' ' ' ILE 0.344 17.1 pt -67.54 -41.72 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 -168.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 6.7 mtpt -51.03 -63.68 1.05 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -154.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -115.8 68.53 0.72 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.076 0.95 . . . . 0.0 111.752 165.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -153.04 -94.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.186 -1.571 . . . . 0.0 112.28 167.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -119.83 125.38 48.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.215 1.806 . . . . 0.0 113.633 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -92.54 -27.12 17.58 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 127.822 2.449 . . . . 0.0 111.798 168.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -46.45 -49.85 17.64 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.641 1.976 . . . . 0.0 115.791 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -47.55 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.892 -1.13 . . . . 0.0 113.983 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.261 3.6 p -66.94 -16.52 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.24 -36.74 82.28 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.445 -2.035 . . . . 0.0 112.471 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -108.14 102.9 12.02 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.393 -1.442 . . . . 0.0 109.314 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -50.41 -51.07 49.64 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -162.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.47 -44.87 3.04 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.656 3.182 . . . . 0.0 114.402 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -69.46 -36.83 76.96 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 124.111 1.91 . . . . 0.0 110.456 -177.399 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -75.3 -36.74 61.1 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.953 -1.717 . . . . 0.0 110.766 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -51.86 -42.73 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.574 1.549 . . . . 0.0 113.095 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASN . . . -58.03 -45.98 86.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 131.05 3.74 . . . . 0.0 112.962 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.73 -51.72 68.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 131.356 3.862 . . . . 0.0 114.359 160.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.95 -49.55 77.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.112 3.142 . . . . 0.0 114.549 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -34.81 -43.72 0.19 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 130.856 3.662 . . . . 0.0 114.633 158.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.24 -42.9 96.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.724 1.725 . . . . 0.0 113.794 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.28 -38.04 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 128.505 2.722 . . . . 0.0 110.081 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.24 19.73 5.4 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 125.712 1.625 . . . . 0.0 114.098 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 42' ' ' VAL . 23.2 t -49.41 114.37 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.79 2.036 . . . . 0.0 113.281 150.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -152.73 -175.06 5.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.707 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 5.8 p-80 -132.81 -118.99 0.2 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.707 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 75.4 mt-10 -75.87 59.14 1.21 Allowed 'General case' 0 N--CA 1.43 -1.443 1 C-N-CA 132.894 4.478 . . . . 0.0 111.943 172.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.2 82.31 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 125.266 1.412 . . . . 0.0 113.283 166.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -128.44 156.44 43.2 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 130.686 3.594 . . . . 0.0 108.358 -175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -46.46 163.23 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.298 2.239 . . . . 0.0 114.996 172.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 tp -85.14 113.2 21.34 Favored 'General case' 0 N--CA 1.429 -1.524 0 O-C-N 117.924 -2.985 . . . . 0.0 110.61 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.55 -173.2 3.68 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.968 1.842 . . . . 0.0 114.982 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -47.24 15.15 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 128.409 2.684 . . . . 0.0 114.717 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -69.83 -44.52 69.77 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.743 2.017 . . . . 0.0 115.556 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -37.49 -34.46 0.1 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 131.411 3.884 . . . . 0.0 116.336 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -14.56 17.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.634 1.174 . . . . 0.0 113.775 -178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -72.09 -33.3 67.76 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 124.842 1.257 . . . . 0.0 111.334 168.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.44 -40.37 95.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.409 -2.682 . . . . 0.0 111.051 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 8' ' ' VAL . 46.2 mt -55.42 -69.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.12 -41.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.92 3.688 . . . . 0.0 117.651 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -57.09 -54.58 45.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.775 2.03 . . . . 0.0 113.013 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -79.99 5.31 14.38 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.772 1.629 . . . . 0.0 114.743 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -92.17 115.48 28.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -172.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -82.0 168.66 17.61 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 108.787 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -60.58 -35.16 75.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.873 -1.767 . . . . 0.0 110.725 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.75 -50.71 68.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.865 1.666 . . . . 0.0 111.077 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -54.82 -51.72 64.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.256 1.422 . . . . 0.0 113.948 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -54.98 -54.27 45.07 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.309 1.844 . . . . 0.0 111.591 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.29 -42.58 92.98 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.695 -1.253 . . . . 0.0 109.384 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -76.43 -20.69 56.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.782 1.233 . . . . 0.0 110.724 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tt -76.96 -52.31 9.62 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.3 mm -77.53 -11.04 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 122.745 1.259 . . . . 0.0 109.909 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.01 -39.65 79.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.054 -2.278 . . . . 0.0 111.408 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.75 -47.72 16.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.204 1.001 . . . . 0.0 111.771 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -129.76 96.61 4.28 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.269 1.033 . . . . 0.0 109.249 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -76.66 -41.14 46.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -45.77 -42.24 11.8 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 128.785 2.834 . . . . 0.0 116.793 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.56 -46.97 44.52 Favored Glycine 0 N--CA 1.429 -1.801 0 O-C-N 120.492 -1.38 . . . . 0.0 112.707 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -64.62 -50.24 67.91 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.857 1.263 . . . . 0.0 112.116 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -63.57 -28.2 69.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.37 -55.71 17.01 Favored Glycine 0 N--CA 1.429 -1.806 0 O-C-N 120.539 -1.35 . . . . 0.0 112.716 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.252 34.2 m -69.03 -42.47 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 121.886 -0.773 . . . . 0.0 112.974 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.01 -46.85 84.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.792 -1.193 . . . . 0.0 113.049 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.36 -35.71 61.08 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.768 -1.208 . . . . 0.0 113.663 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HA ' ' A' ' 20' ' ' LYS . 7.4 t80 -64.14 -48.65 75.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.951 -1.093 . . . . 0.0 111.189 172.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.7 -27.17 62.85 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.26 -1.525 . . . . 0.0 114.156 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.97 -49.44 60.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.388 -1.445 . . . . 0.0 114.219 166.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.9 mtp -95.19 -6.02 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.581 1.152 . . . . 0.0 113.096 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -108.72 -76.38 0.61 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 120.977 1.717 . . . . 0.0 107.223 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.43 -1.428 0 C-N-CA 117.641 -1.624 . . . . 0.0 111.243 -167.807 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 tptt . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -77.75 -17.77 57.21 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.16 -1.587 . . . . 0.0 112.11 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.06 -63.55 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 125.524 1.53 . . . . 0.0 113.771 163.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.36 -63.09 0.59 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.168 1.787 . . . . 0.0 115.579 167.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 m -51.33 -55.29 19.22 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.711 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -75.36 -40.49 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.195 -1.565 . . . . 0.0 109.454 -168.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -60.74 -41.19 94.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.844 -1.785 . . . . 0.0 115.248 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.55 -42.64 34.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 164.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.03 -53.71 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.428 1.091 . . . . 0.0 110.192 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.04 -58.45 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.614 2.365 . . . . 0.0 112.766 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -48.21 -69.62 0.12 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.421 -2.049 . . . . 0.0 114.191 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.66 -27.35 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.69 33.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.362 -1.461 . . . . 0.0 113.31 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -58.76 -44.97 90.74 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.292 2.237 . . . . 0.0 111.87 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.54 -37.53 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.342 2.257 . . . . 0.0 113.357 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.38 -57.68 3.74 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.582 1.153 . . . . 0.0 112.039 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 19.2 pt -66.87 -20.9 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -172.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -48.7 -67.75 0.24 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.149 2.179 . . . . 0.0 115.379 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -115.12 22.63 13.18 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.582 -1.323 . . . . 0.0 113.54 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.4 p -110.04 -81.57 0.58 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.431 -2.043 . . . . 0.0 114.247 167.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? 178.93 144.09 0.13 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.883 3.273 . . . . 0.0 102.852 -158.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -91.56 3.43 55.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.695 3.198 . . . . 0.0 113.816 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.71 -42.89 98.14 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.988 2.328 . . . . 0.0 111.959 -156.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.58 -62.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 131.181 3.793 . . . . 0.0 112.943 172.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.269 2.5 p -63.33 -31.8 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -52.96 -58.85 5.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.769 1.228 . . . . 0.0 112.498 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -100.13 84.23 2.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.393 -1.442 . . . . 0.0 109.809 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -26.67 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 120.863 3.653 . . . . 0.0 120.863 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.74 60.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.61 1.964 . . . . 0.0 112.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.45 -5.8 59.07 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 129.081 2.952 . . . . 0.0 110.499 169.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -87.96 -60.92 1.84 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.127 -2.233 . . . . 0.0 107.3 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' H ' HG13 ' A' ' 34' ' ' ILE . 78.5 mt -30.6 -48.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 129.714 3.205 . . . . 0.0 116.263 162.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.88 -17.92 42.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -67.78 -35.4 78.61 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 116.704 -3.747 . . . . 0.0 112.814 156.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.54 -28.04 68.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.225 -2.797 . . . . 0.0 115.687 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -74.7 -21.71 59.24 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.489 1.516 . . . . 0.0 111.38 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -53.5 57.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.379 1.561 . . . . 0.0 111.253 172.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.21 -42.82 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.382 2.273 . . . . 0.0 112.745 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.73 39.41 2.95 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 126.888 2.185 . . . . 0.0 113.783 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.32 145.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.498 1.919 . . . . 0.0 108.002 159.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -142.12 -172.35 3.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 102.89 -3.004 . . . . 0.0 102.89 164.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -115.64 -137.49 0.36 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.654 -1.279 . . . . 0.0 108.219 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.64 120.72 6.0 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.815 -1.178 . . . . 0.0 113.426 145.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.14 -27.53 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 130.553 3.93 . . . . 0.0 122.185 167.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -139.27 172.4 12.89 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.765 1.269 . . . . 0.0 107.991 -171.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.26 167.1 0.98 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.491 1.916 . . . . 0.0 112.555 156.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.2 tp -76.47 121.04 22.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.211 1.404 . . . . 0.0 110.879 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -92.53 145.0 24.78 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.484 -2.01 . . . . 0.0 108.414 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -54.76 -34.04 62.05 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.801 1.64 . . . . 0.0 115.167 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.8 -32.61 73.82 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.071 2.548 . . . . 0.0 116.087 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.3 96.5 p -72.04 -6.31 41.41 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -164.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -25.38 -44.42 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.71 3.226 . . . . 0.0 119.71 149.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -49.02 -62.18 1.67 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.67 3.188 . . . . 0.0 111.059 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -62.53 -28.53 69.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -74.91 -63.34 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 123.467 2.849 . . . . 0.0 109.098 -168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.7 -26.61 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.939 2.896 . . . . 0.0 116.059 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -71.92 -39.18 69.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.892 -1.13 . . . . 0.0 109.942 173.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.83 -38.94 36.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.493 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.5 117.52 14.27 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 121.261 1.846 . . . . 0.0 109.506 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -66.17 -173.74 0.21 Allowed 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 126.291 1.836 . . . . 0.0 112.599 -177.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.44 ' H ' HG22 ' A' ' 62' ' ' THR . 80.6 mt-30 -63.15 -33.49 75.58 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 117.285 -3.384 . . . . 0.0 112.668 162.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.78 -58.52 7.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.578 2.351 . . . . 0.0 114.431 171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.59 -37.03 84.06 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.724 1.609 . . . . 0.0 111.056 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -48.28 -61.8 1.81 Allowed 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 126.417 1.887 . . . . 0.0 112.41 164.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -67.16 -34.35 77.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.211 -1.555 . . . . 0.0 109.963 -172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.8 m -71.04 -44.69 65.28 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.831 1.652 . . . . 0.0 111.883 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -42.21 -58.42 2.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.299 2.239 . . . . 0.0 114.671 165.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.71 -42.35 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 129.161 2.984 . . . . 0.0 113.454 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.1 -49.37 77.93 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.228 -2.17 . . . . 0.0 112.813 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.18 -42.44 37.62 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.074 -1.016 . . . . 0.0 113.363 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -146.66 88.73 1.78 Allowed 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.979 -1.076 . . . . 0.0 109.98 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -77.07 -35.66 56.45 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.644 -1.91 . . . . 0.0 114.21 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -52.71 -35.67 56.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.894 2.477 . . . . 0.0 116.723 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.52 -63.44 4.48 Favored Glycine 0 N--CA 1.431 -1.685 0 O-C-N 120.704 -1.247 . . . . 0.0 113.529 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.58 -51.36 68.88 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.811 1.644 . . . . 0.0 113.857 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -78.92 -21.0 47.97 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.218 -2.176 . . . . 0.0 113.986 -169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.35 -42.51 49.18 Favored Glycine 0 N--CA 1.43 -1.758 0 O-C-N 120.329 -1.482 . . . . 0.0 112.898 167.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -68.35 -29.21 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 121.389 -1.065 . . . . 0.0 112.241 175.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.0 -43.56 73.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.389 1.476 . . . . 0.0 113.442 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -63.05 -38.59 91.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.082 -1.636 . . . . 0.0 113.964 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.6 t80 -59.87 -46.09 90.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.505 -1.372 . . . . 0.0 110.743 170.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.21 -33.61 72.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.645 -1.91 . . . . 0.0 114.55 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -65.5 -37.87 88.07 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.296 -1.503 . . . . 0.0 111.26 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.5 tpt -95.39 -37.3 11.01 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.255 1.822 . . . . 0.0 114.487 -169.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -96.72 -78.17 0.47 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.203 -1.561 . . . . 0.0 109.844 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.431 -1.412 0 C-N-CA 115.173 -2.611 . . . . 0.0 109.646 -177.799 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.344 1.069 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -56.3 -36.41 68.63 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.06 -1.65 . . . . 0.0 112.304 167.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.73 -51.22 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.16 2.184 . . . . 0.0 111.289 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.41 -65.81 0.38 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 129.13 2.972 . . . . 0.0 115.393 160.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 m -53.48 -51.51 62.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.826 1.648 . . . . 0.0 112.665 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.35 -45.63 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -60.85 -43.3 98.52 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 121.434 1.925 . . . . 0.0 113.259 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.96 -43.06 91.26 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.679 2.792 . . . . 0.0 115.196 170.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.11 -51.03 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 120.113 1.324 . . . . 0.0 112.51 171.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.6 -48.72 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 126.902 2.081 . . . . 0.0 112.903 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 m -57.32 -50.15 73.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.819 1.647 . . . . 0.0 112.73 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.27 -39.44 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 120.995 -1.066 . . . . 0.0 111.274 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.02 51.58 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 172.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -63.81 -38.89 92.78 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.258 1.023 . . . . 0.0 112.089 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.0 mt -58.6 -40.54 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 123.532 0.733 . . . . 0.0 112.274 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.41 -52.63 6.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 119.526 1.057 . . . . 0.0 112.216 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.683 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 27.1 pt -69.03 -29.9 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 119.128 -2.233 . . . . 0.0 116.443 -169.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -46.18 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 166.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.91 80.75 1.47 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.393 1.906 . . . . 0.0 112.868 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -166.8 -79.22 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.734 -1.229 . . . . 0.0 111.291 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.96 126.95 13.62 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.461 1.904 . . . . 0.0 109.911 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -89.05 -23.98 22.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.512 -1.368 . . . . 0.0 110.872 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -41.29 -1.59 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.422 1 C-N-CA 132.047 4.139 . . . . 0.0 119.496 151.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 33' ' ' PHE . 2.4 mt -92.66 -56.41 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.438 -2.039 . . . . 0.0 109.254 165.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 33' ' ' PHE 0.272 0.8 OUTLIER -55.97 -22.14 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 -175.977 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -41.33 -36.84 0.88 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 169.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -127.95 119.26 25.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.017 1.327 . . . . 0.0 108.478 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -30.55 -63.89 0.14 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 120.309 3.448 . . . . 0.0 120.309 166.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -25.16 67.77 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.312 -2.117 . . . . 0.0 115.236 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -74.72 -35.29 62.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.534 1.534 . . . . 0.0 109.384 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.446 ' HA ' HG22 ' A' ' 26' ' ' ILE . 9.2 t80 -68.55 -51.9 37.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 124.627 1.171 . . . . 0.0 109.465 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.63 -51.59 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.708 2.003 . . . . 0.0 112.505 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.37 -22.26 61.91 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -85.75 -17.52 35.62 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 119.512 1.051 . . . . 0.0 110.721 173.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.82 -31.09 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.769 2.028 . . . . 0.0 110.847 172.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.83 -39.75 94.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 118.579 -2.576 . . . . 0.0 114.624 168.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -33.48 -52.37 0.39 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 129.055 2.942 . . . . 0.0 116.256 166.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 40' ' ' ILE . 3.8 mt -50.08 -34.98 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 130.336 3.455 . . . . 0.0 115.549 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.29 43.44 0.84 Allowed Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.794 -1.191 . . . . 0.0 110.66 -172.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 37' ' ' LEU . 44.9 t -107.79 113.46 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -127.32 157.39 40.03 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 121.468 1.94 . . . . 0.0 109.556 -168.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CG ' ' H ' ' A' ' 45' ' ' GLU 0.427 6.7 p-80 -111.55 -121.33 0.28 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.571 -1.33 . . . . 0.0 109.326 167.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 33.6 mt-10 -98.85 70.69 1.87 Allowed 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.163 -2.211 . . . . 0.0 108.567 -157.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 -3.47 11.84 Favored Glycine 0 N--CA 1.43 -1.708 0 O-C-N 120.035 -1.665 . . . . 0.0 116.015 -167.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -126.52 155.85 41.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.361 1.065 . . . . 0.0 109.284 -168.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.78 159.61 24.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.539 -1.351 . . . . 0.0 110.998 169.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -84.85 128.41 34.6 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.451 -1.406 . . . . 0.0 109.727 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.53 158.72 16.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.458 1.103 . . . . 0.0 109.993 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -73.2 -10.56 59.9 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.504 -1.372 . . . . 0.0 114.532 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -74.83 -43.15 56.13 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 111.549 171.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 m -71.06 5.27 2.15 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.224 1.809 . . . . 0.0 115.698 -174.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.07 -21.84 66.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.2 -1.563 . . . . 0.0 112.45 163.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -57.26 -53.75 54.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.187 -1.571 . . . . 0.0 112.604 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.4 -26.32 65.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.308 2.243 . . . . 0.0 115.887 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.66 -67.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.183 1.393 . . . . 0.0 111.654 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.72 -12.87 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.748 -1.22 . . . . 0.0 112.818 -157.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -72.19 -19.01 61.81 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 118.966 -2.334 . . . . 0.0 111.928 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -91.48 -17.1 26.25 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.725 . . . . 0.0 111.103 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.78 129.53 34.81 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.122 1.369 . . . . 0.0 110.23 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 63' ' ' GLN . 7.1 m -125.66 -166.58 1.57 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.208 -1.557 . . . . 0.0 107.754 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.716 ' H ' HG22 ' A' ' 62' ' ' THR . 54.2 mm-40 -77.96 -41.59 35.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 118.754 -2.466 . . . . 0.0 112.897 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -51.93 -47.49 64.66 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 124.71 2.195 . . . . 0.0 114.403 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.21 -26.4 35.95 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.291 1.837 . . . . 0.0 112.531 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -53.36 -53.17 55.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.642 1.977 . . . . 0.0 112.816 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -80.34 -30.24 38.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.124 1.77 . . . . 0.0 111.358 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.8 m -53.51 -44.02 68.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.973 1.709 . . . . 0.0 113.362 169.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.76 -57.82 7.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.657 1.983 . . . . 0.0 111.802 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mm -49.93 -52.49 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.924 2.89 . . . . 0.0 113.586 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -51.93 -42.12 62.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.36 1.464 . . . . 0.0 114.633 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.33 -47.43 42.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.983 -1.073 . . . . 0.0 113.618 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -150.52 98.22 2.61 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.7 -1.25 . . . . 0.0 111.635 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -78.43 -41.49 32.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.744 1.218 . . . . 0.0 113.67 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.85 -41.99 11.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 128.56 2.744 . . . . 0.0 117.992 -168.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.05 25.23 Favored Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.232 -1.543 . . . . 0.0 113.598 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.82 -43.61 98.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.204 1.801 . . . . 0.0 111.55 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.16 -49.83 72.77 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.518 1.927 . . . . 0.0 112.523 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.46 -54.73 19.36 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 125.969 1.747 . . . . 0.0 114.788 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.93 -17.13 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.182 -1.775 . . . . 0.0 114.088 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -67.45 -39.49 85.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.668 -1.895 . . . . 0.0 111.328 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -67.22 -31.36 71.69 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.471 -2.018 . . . . 0.0 113.234 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.683 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 6.4 t80 -64.4 -43.95 92.82 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.271 -1.518 . . . . 0.0 111.764 167.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.88 -44.68 82.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.569 2.348 . . . . 0.0 112.706 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.65 -46.06 91.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 111.701 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.5 mmm -69.67 -46.21 66.62 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -95.99 -74.17 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.097 -1.627 . . . . 0.0 115.36 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.429 -1.475 0 C-N-CA 116.968 -1.893 . . . . 0.0 112.965 -160.235 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.448 0 CA-C-O 120.791 0.329 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.8 -34.93 73.68 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.321 -1.487 . . . . 0.0 113.61 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 69' ' ' LEU . 11.9 mt -61.35 -61.16 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.301 2.24 . . . . 0.0 113.743 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -45.76 -52.21 11.44 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 127.714 2.405 . . . . 0.0 114.924 161.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.8 m -51.41 -44.47 62.25 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.245 -2.159 . . . . 0.0 115.425 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -82.12 -33.84 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 120.643 -1.286 . . . . 0.0 110.504 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -56.25 -46.6 79.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 119.574 -1.953 . . . . 0.0 113.363 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.51 -50.17 72.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.983 2.113 . . . . 0.0 113.516 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -53.86 -53.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 125.317 1.447 . . . . 0.0 112.736 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.29 -42.65 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.007 1.723 . . . . 0.0 113.149 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 m -60.3 -54.83 41.01 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.152 1.381 . . . . 0.0 111.85 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.9 t -69.37 -41.71 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.868 -1.145 . . . . 0.0 111.772 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -28.81 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -81.8 -38.81 24.98 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.826 -1.796 . . . . 0.0 111.811 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -41.08 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.55 1.54 . . . . 0.0 112.209 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -43.23 -60.72 1.57 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.036 2.134 . . . . 0.0 116.585 165.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 19' ' ' ILE . 27.5 pt -83.19 -52.21 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -28.98 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 128.262 2.625 . . . . 0.0 116.026 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -104.84 17.74 23.59 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 122.46 2.391 . . . . 0.0 111.272 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -123.54 -75.99 0.59 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.059 -1.651 . . . . 0.0 114.102 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -142.6 107.19 4.82 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.461 -1.4 . . . . 0.0 113.862 -165.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -87.54 -24.0 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.151 -2.218 . . . . 0.0 112.109 171.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.25 7.8 p-10 -42.05 -0.2 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 130.505 3.522 . . . . 0.0 118.945 151.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mm -100.55 -56.54 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.608 -1.932 . . . . 0.0 110.089 165.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -56.16 -18.38 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 117.47 2.396 . . . . 0.0 117.47 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -49.12 -30.23 6.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 168.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -136.17 109.55 7.88 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.768 1.627 . . . . 0.0 107.054 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.41 -28.26 68.49 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.5 73.16 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 124.695 3.407 . . . . 0.0 116.212 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.34 -53.77 43.54 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.856 1.262 . . . . 0.0 111.281 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -45.07 -54.91 6.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.494 1.918 . . . . 0.0 115.41 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -55.16 -53.76 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.084 2.154 . . . . 0.0 112.517 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.13 68.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.97 -27.04 36.13 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.234 1.014 . . . . 0.0 110.865 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.4 -23.55 34.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.543 -1.348 . . . . 0.0 112.288 171.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.14 -35.35 74.01 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.199 -2.813 . . . . 0.0 113.656 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -34.12 -45.33 0.2 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 160.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mm -49.81 -34.26 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.72 2.808 . . . . 0.0 114.193 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.84 21.33 7.16 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 125.921 1.724 . . . . 0.0 111.624 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -77.11 98.04 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 124.659 1.184 . . . . 0.0 108.409 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.2 145.61 48.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.27 -1.519 . . . . 0.0 111.574 -162.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.534 ' HE1' ' O ' ' A' ' 48' ' ' LYS 0.456 12.8 p-80 -109.69 -119.36 0.28 Allowed 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 117.207 -1.378 . . . . 0.0 108.593 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' OE1' ' CD2' ' A' ' 44' ' ' HIS . 3.3 mp0 -105.63 75.04 1.11 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 124.285 3.221 . . . . 0.0 107.138 -167.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.04 -11.77 40.7 Favored Glycine 0 N--CA 1.43 -1.766 0 N-CA-C 118.322 2.089 . . . . 0.0 118.322 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -135.37 152.13 51.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 118.97 1.385 . . . . 0.0 110.056 -157.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 33.2 mmtp -73.91 161.79 29.75 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.301 -1.499 . . . . 0.0 112.458 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.65 124.18 31.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.33 -2.106 . . . . 0.0 111.137 -173.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.51 144.78 32.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.106 1.762 . . . . 0.0 108.629 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.28 -27.32 64.32 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.801 -1.812 . . . . 0.0 113.404 -155.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.56 -20.72 63.59 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.909 2.884 . . . . 0.0 113.209 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -75.89 8.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -59.23 -32.78 70.28 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.89 -2.381 . . . . 0.0 114.328 165.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -62.01 -39.6 92.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.221 173.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.78 -35.83 81.88 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.518 1.927 . . . . 0.0 113.665 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -57.23 -63.92 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.251 1.02 . . . . 0.0 111.046 168.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.16 -24.05 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 121.219 -0.926 . . . . 0.0 111.377 -151.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.5 p -74.38 -37.86 63.32 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 120.977 -1.077 . . . . 0.0 111.966 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -35.69 80.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.035 1.334 . . . . 0.0 113.373 177.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 131.93 45.81 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 121.157 -0.965 . . . . 0.0 111.573 170.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.62 -178.89 3.81 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.713 -1.867 . . . . 0.0 106.276 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -53.83 -40.27 66.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.418 -1.426 . . . . 0.0 113.121 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -50.87 -53.61 30.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 124.574 2.131 . . . . 0.0 113.78 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.31 -46.11 64.9 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 129.947 3.299 . . . . 0.0 112.124 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -44.85 -53.59 7.34 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.03 2.532 . . . . 0.0 112.62 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.257 0.2 OUTLIER -73.21 -38.94 65.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.56 1.544 . . . . 0.0 110.229 176.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.3 m -54.18 -46.09 72.27 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.892 2.133 . . . . 0.0 114.063 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.9 pp -85.34 -22.01 28.67 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.59 -1.319 . . . . 0.0 113.072 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.59 -53.17 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.634 -1.291 . . . . 0.0 110.884 160.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.72 -58.37 4.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.191 2.996 . . . . 0.0 116.83 173.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -64.24 -36.23 83.41 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.339 0.2 OUTLIER -132.18 83.43 2.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 123.345 1.545 . . . . 0.0 111.698 172.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -62.39 -43.14 99.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.23 1.812 . . . . 0.0 113.425 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.63 -14.56 63.1 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.75 -53.88 17.69 Favored Glycine 0 N--CA 1.43 -1.729 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.63 -46.47 70.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.82 1.648 . . . . 0.0 112.372 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -54.56 -51.64 64.59 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.18 -28.95 57.38 Favored Glycine 0 N--CA 1.43 -1.72 0 O-C-N 119.486 -2.009 . . . . 0.0 114.841 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.42 3.8 p -75.51 -41.9 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.341 -0.929 . . . . 0.0 113.021 174.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.17 -41.37 86.08 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.045 -1.66 . . . . 0.0 112.201 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -55.09 -51.89 64.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.738 -1.226 . . . . 0.0 113.405 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -43.42 81.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.738 -1.226 . . . . 0.0 112.129 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -54.22 -41.28 68.52 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.001 -2.312 . . . . 0.0 115.316 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.12 -44.18 96.35 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.894 1.278 . . . . 0.0 112.546 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.3 mtt -60.6 -62.68 1.69 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.417 14.2 p90 -75.94 -73.6 0.26 Allowed 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.561 -1.337 . . . . 0.0 113.92 -168.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.429 -1.494 0 CA-C-N 122.136 2.244 . . . . 0.0 112.255 -170.337 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 N--CA 1.43 -1.463 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.31 -32.62 17.26 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.887 -1.758 . . . . 0.0 109.264 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.95 -48.96 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.51 0 C-N-CA 127.926 2.49 . . . . 0.0 111.256 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.31 -53.14 5.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.619 1.968 . . . . 0.0 115.436 158.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -52.2 -67.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 122.354 2.343 . . . . 0.0 113.021 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.451 HG21 HD11 ' A' ' 61' ' ' LEU . 58.9 t -56.88 -37.64 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 117.042 2.238 . . . . 0.0 117.042 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -67.09 -33.01 74.56 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.622 -1.924 . . . . 0.0 113.898 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -62.84 -53.26 56.97 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.898 2.079 . . . . 0.0 112.187 169.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -42.47 -54.78 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.324 15.1 tt -68.86 -49.12 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.748 2.819 . . . . 0.0 112.357 -175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m -65.61 -48.29 72.78 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.933 -1.73 . . . . 0.0 113.783 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.49 -47.37 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.157 1.383 . . . . 0.0 111.229 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.25 24.72 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 168.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -66.32 -42.46 88.19 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.339 1.456 . . . . 0.0 110.005 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.92 -39.4 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 124.725 1.21 . . . . 0.0 112.927 172.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -87.21 -46.37 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 120.763 1.619 . . . . 0.0 113.549 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 31.4 pt -71.89 -23.15 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 123.387 2.812 . . . . 0.0 117.614 -168.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -67.24 -55.39 14.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.736 -1.227 . . . . 0.0 111.164 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -115.92 80.2 1.41 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.516 2.326 . . . . 0.0 111.967 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -173.37 -94.93 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.75 1.22 . . . . 0.0 109.786 161.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -130.88 139.08 50.08 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.532 1.933 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 -23.18 22.62 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.628 1.104 . . . . 0.0 110.675 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -40.13 -40.72 1.14 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -42.27 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 118.587 -2.571 . . . . 0.0 112.356 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.331 0.5 OUTLIER -73.61 -41.52 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.056 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 121.278 3.807 . . . . 0.0 121.278 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -148.21 88.23 1.64 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 168.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -27.2 -38.07 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 120.479 3.511 . . . . 0.0 120.479 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.75 -44.2 2.15 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 168.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.48 -50.85 27.49 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 128.523 2.729 . . . . 0.0 113.531 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -43.72 -46.59 7.59 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 166.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -53.56 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.197 2.199 . . . . 0.0 107.518 -173.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -19.22 63.46 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 39' ' ' GLU . 16.8 t80 -80.84 -12.23 59.46 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 123.162 2.71 . . . . 0.0 111.568 168.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.23 -25.44 39.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.999 -1.063 . . . . 0.0 113.018 161.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -63.74 -42.81 97.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.096 -2.253 . . . . 0.0 112.233 165.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 36' ' ' PHE . 2.3 tt0 -41.17 -50.16 3.53 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 162.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mt -55.49 -40.44 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 13.88 21.56 Favored Glycine 0 N--CA 1.429 -1.804 0 N-CA-C 116.189 1.236 . . . . 0.0 116.189 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.3 1.0 OUTLIER -56.87 108.5 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-O 124.573 2.13 . . . . 0.0 114.269 167.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.1 p -109.07 144.19 37.42 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.598 2.142 . . . . 0.0 112.811 168.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -108.15 -164.53 0.97 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.313 3.045 . . . . 0.0 106.062 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.56 111.71 0.63 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.956 1.707 . . . . 0.0 114.847 -171.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.52 -7.66 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 129.484 3.421 . . . . 0.0 120.792 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -141.15 153.22 45.26 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 120.423 2.111 . . . . 0.0 112.091 -158.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -51.41 142.09 14.24 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.729 -1.857 . . . . 0.0 114.724 164.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.58 112.75 8.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 118.975 -2.328 . . . . 0.0 112.565 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.34 171.0 15.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.941 1.696 . . . . 0.0 113.92 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.79 -43.61 68.32 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.588 2.137 . . . . 0.0 109.535 -170.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -74.32 -8.64 56.94 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 130.921 3.688 . . . . 0.0 113.795 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -67.97 -2.32 7.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.289 -1.507 . . . . 0.0 113.629 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.28 -23.88 59.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.316 1.446 . . . . 0.0 111.309 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -54.55 44.86 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.459 -2.026 . . . . 0.0 113.779 168.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -44.96 -54.83 6.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 128.252 2.621 . . . . 0.0 116.486 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.259 21.0 mm -42.89 -69.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.221 2.608 . . . . 0.0 111.495 163.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 p -71.18 -28.29 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 123.779 2.99 . . . . 0.0 111.88 -161.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -72.68 -51.84 17.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.911 -1.743 . . . . 0.0 113.507 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.36 -36.19 2.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 167.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD11 HG21 ' A' ' 8' ' ' VAL . 75.7 mt -83.42 103.49 12.83 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 125.986 1.714 . . . . 0.0 113.437 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.0 p -94.4 -158.7 0.65 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.908 -1.745 . . . . 0.0 111.347 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.58 -34.8 78.62 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.231 -1.543 . . . . 0.0 110.781 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -49.19 -46.86 46.16 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.843 2.057 . . . . 0.0 114.489 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -55.56 18.19 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.519 1.128 . . . . 0.0 109.609 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -53.74 -53.94 45.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.719 2.2 . . . . 0.0 110.694 -152.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -80.55 -28.74 37.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 130.158 3.383 . . . . 0.0 110.659 -174.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.8 m -61.24 -49.43 77.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 121.328 1.876 . . . . 0.0 112.306 170.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.07 -61.33 2.1 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.199 1.8 . . . . 0.0 113.823 -167.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -22.4 -56.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 129.115 2.966 . . . . 0.0 117.976 142.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.23 -44.07 66.06 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.602 3.364 . . . . 0.0 113.114 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.98 -45.62 66.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.189 1.396 . . . . 0.0 113.597 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -134.22 99.68 4.47 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.529 -1.357 . . . . 0.0 109.138 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.28 -41.94 47.17 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 110.33 -172.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.44 -36.82 71.89 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 127.816 2.446 . . . . 0.0 116.143 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -44.08 98.3 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 113.025 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.16 -52.66 38.79 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.356 1.062 . . . . 0.0 111.079 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -48.43 -53.1 19.07 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.588 2.355 . . . . 0.0 114.489 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.6 -35.99 92.76 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 116.426 1.33 . . . . 0.0 116.426 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.96 -30.75 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 119.522 1.661 . . . . 0.0 111.811 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.52 -46.13 89.75 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.046 1.738 . . . . 0.0 112.407 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -67.06 -44.93 78.86 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.781 1.232 . . . . 0.0 113.591 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.1 t80 -59.26 -56.86 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.614 1.166 . . . . 0.0 112.238 176.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.13 -32.04 73.46 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.545 -1.347 . . . . 0.0 114.032 -169.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.78 -43.27 76.05 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 123.99 0.916 . . . . 0.0 112.177 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.0 mtt -78.22 -39.28 40.95 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 113.509 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -78.15 -71.96 0.4 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.442 -1.412 . . . . 0.0 113.665 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.322 3.5 t . . . . . 0 N--CA 1.43 -1.452 0 C-N-CA 116.047 -2.261 . . . . 0.0 116.735 -147.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -72.34 -28.75 63.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.534 -1.354 . . . . 0.0 113.05 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 tt -73.62 -25.1 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 121.237 1.835 . . . . 0.0 113.722 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.41 -28.44 62.97 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 118.375 -2.703 . . . . 0.0 113.985 164.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.466 HG23 ' CE1' ' A' ' 44' ' ' HIS . 20.5 m -61.8 -44.51 96.72 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 117.215 -3.428 . . . . 0.0 113.263 167.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 11' ' ' ILE . 92.5 t -70.44 -52.9 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.703 3.201 . . . . 0.0 116.693 -177.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -57.36 -36.57 71.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.556 -1.965 . . . . 0.0 113.909 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 7.9 mt-10 -60.76 -35.16 75.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 164.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 8' ' ' VAL . 13.2 mm -67.68 -41.49 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-N 122.834 2.561 . . . . 0.0 110.309 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.76 -41.85 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 121.08 -1.012 . . . . 0.0 109.611 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -66.58 -59.04 3.98 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.019 1.328 . . . . 0.0 112.426 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.97 -39.74 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.778 1.231 . . . . 0.0 112.827 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.21 67.81 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.136 -1.603 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -64.24 -52.98 56.09 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.118 -0.989 . . . . 0.0 111.265 170.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.1 mt -42.25 -51.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 127.348 2.259 . . . . 0.0 113.936 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -70.62 -34.85 72.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.181 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 83' ' ' TYR . 12.1 pt -79.91 -48.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 122.467 2.394 . . . . 0.0 114.327 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -30.62 -74.28 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.973 2.909 . . . . 0.0 117.189 169.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -114.74 18.29 16.66 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.377 -1.452 . . . . 0.0 114.219 -175.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -133.34 -94.26 0.32 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.576 -1.327 . . . . 0.0 112.942 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -136.85 116.48 12.94 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 -167.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.03 -36.33 56.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.372 -2.08 . . . . 0.0 113.879 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.88 -30.5 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 129.582 3.153 . . . . 0.0 118.38 162.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -21.06 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 124.929 3.513 . . . . 0.0 114.109 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.8 -22.49 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.862 -1.149 . . . . 0.0 113.817 -174.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.42 -7.05 12.11 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -173.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -148.38 116.02 6.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.333 1.053 . . . . 0.0 110.025 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -26.26 -65.24 0.06 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.87 2.868 . . . . 0.0 116.345 168.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.04 66.92 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 124.975 3.534 . . . . 0.0 118.049 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.34 -20.5 28.21 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.648 -1.282 . . . . 0.0 110.442 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -80.02 -44.8 19.52 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.038 1.335 . . . . 0.0 108.236 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -49.59 -54.01 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 126.592 1.957 . . . . 0.0 111.779 164.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.16 22.59 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 18' ' ' LEU . 36.9 t80 -75.77 -29.28 58.74 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.951 -2.343 . . . . 0.0 110.835 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.97 -14.64 60.23 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.307 1.843 . . . . 0.0 110.605 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -21.47 27.87 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.063 -2.273 . . . . 0.0 108.275 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.87 -53.35 33.17 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.083 1.753 . . . . 0.0 112.487 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.88 -34.85 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 126.25 1.82 . . . . 0.0 115.79 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.02 42.44 1.94 Allowed Glycine 0 N--CA 1.429 -1.818 0 O-C-N 120.937 -1.102 . . . . 0.0 114.211 -175.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 112.07 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 121.618 -0.93 . . . . 0.0 111.776 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -120.42 149.31 42.56 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.059 -1.651 . . . . 0.0 107.667 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' A' ' 7' ' ' THR . 27.3 m80 -133.15 -119.81 0.19 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.997 -1.689 . . . . 0.0 110.086 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.93 58.79 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.756 2.422 . . . . 0.0 116.857 -174.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.05 -27.4 8.31 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 126.858 2.17 . . . . 0.0 113.55 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -124.35 -168.73 1.85 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.165 1.482 . . . . 0.0 112.534 -167.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -81.22 169.25 17.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.324 1.85 . . . . 0.0 107.698 166.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.82 108.49 19.17 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.852 -1.78 . . . . 0.0 110.24 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -108.38 136.03 48.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.24 1.416 . . . . 0.0 110.365 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -76.7 -14.44 59.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.337 -2.102 . . . . 0.0 115.181 -160.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -75.19 -16.47 60.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.568 -1.333 . . . . 0.0 111.846 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 m -88.37 8.88 25.5 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.261 1.425 . . . . 0.0 112.208 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.32 -29.39 70.47 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.468 -2.02 . . . . 0.0 112.264 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -39.79 -46.56 1.95 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.116 -2.24 . . . . 0.0 116.86 157.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -83.25 -19.17 36.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.515 -1.365 . . . . 0.0 111.281 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.48 -75.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 124.276 1.03 . . . . 0.0 109.192 163.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.1 -10.35 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 118.842 -2.411 . . . . 0.0 114.397 -164.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 m -90.65 -23.33 20.8 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.39 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -97.51 -15.95 20.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 122.915 2.598 . . . . 0.0 114.565 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 8' ' ' VAL . 90.7 mt -63.89 137.01 57.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.448 1.099 . . . . 0.0 110.975 159.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -102.34 -168.4 1.53 Allowed 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -55.15 -53.31 57.56 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.533 -1.98 . . . . 0.0 115.37 159.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.34 -26.05 65.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.071 2.669 . . . . 0.0 113.212 -158.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.01 -44.83 94.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 128.338 2.655 . . . . 0.0 111.659 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.69 -56.67 17.2 Favored 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 124.929 1.292 . . . . 0.0 110.844 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.06 -45.83 68.27 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -41.16 -51.91 3.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 161.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.8 -26.77 18.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 120.724 -1.235 . . . . 0.0 113.336 -171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.3 mt -43.97 -71.05 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 O-C-N 119.19 -2.194 . . . . 0.0 114.206 151.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -46.55 -64.43 0.76 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.404 3.082 . . . . 0.0 117.431 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.6 -40.67 88.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.13 -1.606 . . . . 0.0 113.741 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.31 53.68 0.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.305 -1.497 . . . . 0.0 110.287 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.55 -40.11 77.04 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.532 1.533 . . . . 0.0 112.202 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.05 -27.64 69.25 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.028 -1.67 . . . . 0.0 113.907 172.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -38.08 62.29 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.013 1.292 . . . . 0.0 112.57 171.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.16 -42.68 99.0 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.364 1.466 . . . . 0.0 112.379 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.51 -59.68 4.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.998 1.319 . . . . 0.0 114.094 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.19 -30.68 55.3 Favored Glycine 0 N--CA 1.43 -1.742 0 C-N-CA 125.258 1.408 . . . . 0.0 116.615 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.305 3.5 p -87.16 -33.23 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 123.577 0.751 . . . . 0.0 112.104 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.3 -48.89 79.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.237 1.815 . . . . 0.0 112.99 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -60.98 -41.04 95.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.737 -1.227 . . . . 0.0 112.739 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' CE1' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -64.86 -40.57 95.35 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.061 -1.024 . . . . 0.0 111.948 172.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.29 -24.54 66.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.13 -2.231 . . . . 0.0 116.264 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.83 -39.08 70.01 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.366 -1.458 . . . . 0.0 112.385 166.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.8 mtp -57.79 -67.71 0.31 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.299 1.9 p90 -82.18 -75.74 0.29 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -161.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.431 -1.399 0 CA-C-N 122.576 2.444 . . . . 0.0 110.585 177.594 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 N--CA 1.43 -1.445 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.09 -21.22 27.78 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.198 -2.188 . . . . 0.0 108.818 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.31 -41.69 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.97 1.708 . . . . 0.0 108.249 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -55.03 -63.06 1.27 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.022 1.729 . . . . 0.0 111.992 165.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 m -42.16 -46.14 4.28 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.29 -36.59 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.54 -1.35 . . . . 0.0 110.619 -168.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -72.51 -18.67 61.63 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.965 -1.084 . . . . 0.0 111.982 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -66.17 -52.51 47.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.026 -1.671 . . . . 0.0 112.268 164.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.99 -52.48 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.726 -1.234 . . . . 0.0 112.935 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.29 -40.32 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.493 1.517 . . . . 0.0 112.665 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.4 m -65.87 -55.85 14.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.179 -1.576 . . . . 0.0 112.073 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.27 -43.54 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.2 -1.563 . . . . 0.0 111.72 -174.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.1 -43.69 51.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.587 1.555 . . . . 0.0 114.91 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -71.02 -38.15 72.6 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 124.52 1.128 . . . . 0.0 112.195 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.09 -31.37 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.02 1.728 . . . . 0.0 111.906 173.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.72 -60.24 2.54 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.303 1.441 . . . . 0.0 112.82 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -83.02 -19.89 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -163.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.45 -71.53 0.07 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.587 1.54 . . . . 0.0 114.106 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.58 63.6 0.61 Allowed 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.622 -1.299 . . . . 0.0 111.153 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 m -126.7 -94.59 0.46 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -146.65 144.92 29.83 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.346 1.858 . . . . 0.0 107.446 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.96 -13.27 39.34 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 121.097 1.771 . . . . 0.0 112.282 162.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.09 -38.25 37.65 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.372 2.269 . . . . 0.0 114.454 174.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 pt -67.17 -37.01 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 126.226 1.81 . . . . 0.0 114.105 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.02 -39.15 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.3 -1.5 . . . . 0.0 111.082 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -53.27 -38.78 63.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.721 2.408 . . . . 0.0 117.006 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -121.41 90.53 3.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 101.303 -3.591 . . . . 0.0 101.303 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -71.68 -13.38 61.72 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.028 -2.295 . . . . 0.0 115.042 -155.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.22 -54.83 1.76 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.17 1.788 . . . . 0.0 114.452 161.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -47.98 -44.43 30.51 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 120.319 3.452 . . . . 0.0 120.319 163.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.94 -37.38 72.85 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.989 2.516 . . . . 0.0 112.373 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.07 -38.58 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.72 80.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.12 -36.02 2.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 156.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.17 -22.92 41.44 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 123.969 3.077 . . . . 0.0 116.054 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.96 -55.94 25.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.011 -2.305 . . . . 0.0 113.859 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -37.91 -61.54 0.63 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.261 2.689 . . . . 0.0 118.261 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 40' ' ' ILE . 4.2 mt -48.33 -39.43 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.068 2.147 . . . . 0.0 114.088 176.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.41 36.03 2.75 Favored Glycine 0 N--CA 1.43 -1.754 0 C-N-CA 125.159 1.362 . . . . 0.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.41 113.69 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.888 -1.36 . . . . 0.0 112.586 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.9 p -113.22 154.22 27.09 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.036 -2.29 . . . . 0.0 113.715 -172.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 34.6 p-80 -109.98 -140.11 0.38 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 155.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.261 0.8 OUTLIER -67.82 89.23 0.27 Allowed 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.419 1.009 . . . . 0.0 112.19 -178.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.99 -25.57 2.58 Favored Glycine 0 N--CA 1.43 -1.757 0 C-N-CA 125.669 1.604 . . . . 0.0 117.102 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -121.94 158.81 28.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.656 -1.496 . . . . 0.0 109.63 -162.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 33.7 mmtm -71.89 172.81 9.24 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.11 -1.618 . . . . 0.0 111.531 176.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 tp -91.18 140.54 29.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.256 -2.153 . . . . 0.0 111.096 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -113.63 -171.44 1.89 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.544 1.938 . . . . 0.0 107.168 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -74.4 -51.97 13.45 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 123.453 1.597 . . . . 0.0 109.498 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -61.19 -31.57 71.32 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 130.286 3.434 . . . . 0.0 113.805 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -58.99 -3.04 0.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.81 -22.82 53.06 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.198 -1.564 . . . . 0.0 112.746 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -46.44 60.72 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.382 1.873 . . . . 0.0 113.084 161.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -56.86 -59.99 4.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 119.979 1.263 . . . . 0.0 112.877 171.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mm -40.24 -63.91 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.504 2.721 . . . . 0.0 114.426 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.01 -14.44 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.813 -1.805 . . . . 0.0 113.16 -170.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -65.1 -48.93 71.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.484 -1.385 . . . . 0.0 112.746 165.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -79.23 -13.11 59.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -172.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.8 120.66 29.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.231 1.412 . . . . 0.0 110.623 -174.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -105.36 -174.67 2.59 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 122.743 1.258 . . . . 0.0 111.405 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -55.51 -47.33 76.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.751 2.02 . . . . 0.0 114.046 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.22 -53.82 25.41 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.33 2.252 . . . . 0.0 115.767 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.21 -51.06 70.87 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.797 2.439 . . . . 0.0 111.116 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.93 -38.14 90.0 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-O 122.364 1.078 . . . . 0.0 111.101 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -40.56 63.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.223 1.409 . . . . 0.0 111.172 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.4 m -56.23 -39.76 73.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 127.096 2.158 . . . . 0.0 113.991 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.88 -67.08 0.46 Allowed 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.531 1.532 . . . . 0.0 112.452 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.9 mt -42.68 -48.48 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.935 2.894 . . . . 0.0 115.421 170.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.43 -39.77 64.63 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.06 -39.99 16.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.818 -1.176 . . . . 0.0 112.68 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -106.36 76.5 1.15 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.993 2.117 . . . . 0.0 110.272 -168.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -83.14 -71.12 0.51 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.389 -1.444 . . . . 0.0 112.038 -165.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -75.04 -9.48 58.58 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.878 1.271 . . . . 0.0 112.364 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.46 -47.63 41.58 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.705 -1.247 . . . . 0.0 112.65 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -67.62 -51.11 54.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 124.892 1.277 . . . . 0.0 111.765 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.57 -23.1 62.54 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.096 -1.628 . . . . 0.0 114.375 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.28 -49.99 69.2 Favored Glycine 0 N--CA 1.43 -1.736 0 O-C-N 121.13 -0.981 . . . . 0.0 111.342 172.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.17 -27.26 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.576 -1.543 . . . . 0.0 114.449 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.84 -40.52 76.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.572 -1.33 . . . . 0.0 112.611 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -60.47 -47.13 87.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 172.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -43.22 99.35 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.57 -1.331 . . . . 0.0 111.607 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.82 -50.98 70.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -68.41 -26.23 65.44 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.81 -1.182 . . . . 0.0 114.06 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -68.85 0.38 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 165.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.296 0.0 OUTLIER -79.42 -72.33 0.4 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 123.518 2.872 . . . . 0.0 115.745 -163.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 -156.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -34.18 -57.4 0.48 Allowed 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 129.243 3.017 . . . . 0.0 116.004 169.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -34.43 -56.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 159.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.21 -25.31 66.05 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 130.008 3.323 . . . . 0.0 113.46 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.6 m -74.62 -43.4 55.64 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.548 -1.97 . . . . 0.0 109.336 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.47 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 120.997 -1.065 . . . . 0.0 113.691 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.44 3.8 ppt_? -55.2 -28.19 51.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.26 -42.9 92.8 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.587 -1.946 . . . . 0.0 113.657 165.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -75.08 -29.55 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.775 2.08 . . . . 0.0 108.683 -172.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.21 -38.54 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.756 -1.215 . . . . 0.0 111.403 171.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -68.6 -58.85 3.67 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.848 1.659 . . . . 0.0 111.831 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.76 -37.95 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 O-C-N 120.826 -1.171 . . . . 0.0 112.711 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.23 -63.53 0.97 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 159.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -57.81 -41.75 82.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.148 -1.595 . . . . 0.0 114.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.97 -44.46 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 124.822 1.249 . . . . 0.0 113.222 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.67 -63.84 1.01 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.448 1.499 . . . . 0.0 113.915 170.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 35.2 pt -72.12 -21.68 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.645 -1.285 . . . . 0.0 114.22 -172.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.83 -57.37 10.44 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -115.66 19.8 15.06 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.7 p -138.43 -96.77 0.18 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.171 2.26 . . . . 0.0 111.91 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 118.8 14.5 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.722 1.601 . . . . 0.0 114.277 -165.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.04 -28.46 68.24 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.65 2.38 . . . . 0.0 117.166 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.91 -4.57 21.08 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -84.28 -32.89 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 C-N-CA 125.651 1.58 . . . . 0.0 112.069 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.51 -16.06 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.77 -1.831 . . . . 0.0 113.149 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -38.61 -59.91 0.87 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 155.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -102.25 101.05 11.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 122.449 2.386 . . . . 0.0 107.036 161.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.28 87.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.653 1.181 . . . . 0.0 113.958 -162.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.79 -22.64 25.57 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -85.83 -10.32 55.6 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.629 -1.919 . . . . 0.0 112.614 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.61 -42.89 57.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.054 -2.279 . . . . 0.0 109.538 167.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -53.35 -36.08 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 125.82 1.648 . . . . 0.0 112.906 168.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.7 -38.01 2.92 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 118.971 -2.331 . . . . 0.0 116.279 156.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.09 -38.76 31.04 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.17 -2.206 . . . . 0.0 114.38 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -43.04 -34.88 1.1 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.359 2.263 . . . . 0.0 114.002 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.53 -38.66 45.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.047 2.539 . . . . 0.0 115.997 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mt -86.66 -40.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.929 2.092 . . . . 0.0 108.952 -170.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.13 42.77 0.69 Allowed Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 124.554 1.073 . . . . 0.0 114.659 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -54.16 107.08 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 127.366 2.266 . . . . 0.0 114.805 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.3 p -123.76 150.34 44.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.557 -1.965 . . . . 0.0 111.888 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.274 0.5 OUTLIER -121.9 -135.35 0.31 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 116.041 -1.933 . . . . 0.0 107.624 168.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -72.18 60.31 0.42 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 122.25 2.296 . . . . 0.0 115.612 -166.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.98 -31.11 9.03 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 127.611 2.529 . . . . 0.0 114.198 -171.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -121.61 177.82 5.08 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 122.294 3.047 . . . . 0.0 113.84 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -70.77 157.11 38.62 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.286 2.635 . . . . 0.0 110.362 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.37 124.89 34.86 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 123.873 0.869 . . . . 0.0 108.879 -176.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -107.54 -172.84 2.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.479 1.911 . . . . 0.0 108.882 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.56 -41.05 16.84 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.064 -2.272 . . . . 0.0 109.53 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -58.62 -10.22 2.14 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 170.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -18.12 63.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 130.181 3.392 . . . . 0.0 117.343 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.85 -55.55 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -40.38 -52.76 2.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.333 2.253 . . . . 0.0 115.877 170.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -62.06 -43.48 98.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 129.761 3.225 . . . . 0.0 112.378 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.92 -48.83 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 122.699 1.237 . . . . 0.0 110.381 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.49 -43.78 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.742 1.617 . . . . 0.0 112.543 -164.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -11.41 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.103 3.371 . . . . 0.0 120.103 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -109.74 -26.65 9.74 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.35 1.46 . . . . 0.0 114.139 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.03 138.63 55.99 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 129.045 2.938 . . . . 0.0 113.03 164.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -124.69 -160.36 0.94 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 102.553 -3.129 . . . . 0.0 102.553 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.584 2.447 . . . . 0.0 115.456 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -34.9 -56.47 0.56 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 154.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -60.76 2.8 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.547 2.739 . . . . 0.0 111.89 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -44.66 -54.18 6.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.224 1.81 . . . . 0.0 114.2 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -63.19 -42.29 99.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.44 -1.412 . . . . 0.0 112.868 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -67.26 -50.26 61.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.401 3.08 . . . . 0.0 114.213 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.95 -47.71 80.03 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.056 2.142 . . . . 0.0 113.625 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.24 -62.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.353 2.661 . . . . 0.0 111.597 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.32 -48.23 6.82 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.22 2.208 . . . . 0.0 116.245 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -80.76 -46.17 15.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -120.59 47.2 1.83 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.167 -1.583 . . . . 0.0 112.681 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -38.42 90.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.384 -1.447 . . . . 0.0 113.033 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.67 -42.91 98.01 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.381 1.873 . . . . 0.0 113.131 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.31 -42.09 76.14 Favored Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 124.852 1.215 . . . . 0.0 113.297 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.12 -48.43 81.64 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.896 1.278 . . . . 0.0 113.438 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -65.51 -52.9 49.36 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.823 -1.798 . . . . 0.0 112.77 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.95 -31.4 2.79 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 119.897 2.719 . . . . 0.0 119.897 166.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.263 4.1 p -90.54 -37.87 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 CA-C-N 117.869 0.834 . . . . 0.0 111.112 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -56.82 -47.47 80.2 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.88 1.672 . . . . 0.0 113.138 170.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 -41.3 85.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.631 -1.293 . . . . 0.0 113.544 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 1.2 t80 -61.61 -51.51 68.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 123.929 0.892 . . . . 0.0 113.313 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.69 -43.21 57.56 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.745 2.018 . . . . 0.0 114.657 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.77 -56.15 17.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.747 -1.221 . . . . 0.0 112.565 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.5 mtt -54.72 -30.36 55.85 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.024 2.602 . . . . 0.0 118.024 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -114.02 -78.36 0.58 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.43 -1.442 0 CA-C-N 120.144 1.338 . . . . 0.0 110.743 -165.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt . . . . . 0 CA--C 1.489 -1.385 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.92 -39.34 81.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.463 -1.398 . . . . 0.0 112.145 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -40.9 -49.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 130.124 3.37 . . . . 0.0 117.161 163.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.22 -50.32 68.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.873 2.069 . . . . 0.0 111.221 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.7 m -62.66 -48.54 78.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.208 -0.933 . . . . 0.0 111.699 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.76 -44.42 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 121.071 -1.018 . . . . 0.0 111.002 -170.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -55.81 -26.9 48.61 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -74.15 -47.97 32.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.336 -0.852 . . . . 0.0 113.155 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -42.86 -58.5 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 127.517 2.327 . . . . 0.0 115.19 162.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.97 -62.69 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 120.641 1.564 . . . . 0.0 112.565 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.4 m -40.08 -55.16 2.15 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.058 2.143 . . . . 0.0 115.994 174.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.37 -40.04 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.236 -1.54 . . . . 0.0 109.881 -168.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.96 -47.59 71.17 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.727 1.611 . . . . 0.0 113.778 169.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -57.41 -42.49 82.39 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 171.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.26 -42.1 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 125.915 1.686 . . . . 0.0 113.136 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -73.08 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 128.255 2.622 . . . . 0.0 113.131 156.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.292 20.2 pt -69.47 -34.0 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 117.137 -3.477 . . . . 0.0 119.306 -161.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -30.25 71.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 120.358 3.466 . . . . 0.0 120.358 -162.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -110.97 15.59 21.66 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.489 -2.632 . . . . 0.0 112.246 167.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.9 m -118.69 -86.1 0.65 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -173.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -176.53 104.67 0.06 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.329 -0.857 . . . . 0.0 112.071 -152.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 3.1 mp0 -27.98 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.402 1 N-CA-C 123.715 4.709 . . . . 0.0 123.715 155.209 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -43.24 -38.21 2.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.439 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -53.13 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.013 -1.679 . . . . 0.0 112.792 170.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 24' ' ' GLU . 3.0 p -70.46 -22.21 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.51 -6.68 49.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 116.874 -3.641 . . . . 0.0 114.643 -165.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -136.16 150.46 49.06 Favored 'General case' 0 N--CA 1.429 -1.512 1 N-CA-C 98.852 -4.499 . . . . 0.0 98.852 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.454 21.5 ptt-85 -89.33 -32.49 17.31 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 116.34 -2.144 . . . . 0.0 116.196 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -36.19 -55.13 0.8 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.745 2.418 . . . . 0.0 115.931 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.27 -49.58 66.64 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.864 2.066 . . . . 0.0 112.43 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -47.01 12.62 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.18 2.592 . . . . 0.0 112.144 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.33 -55.07 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.589 2.756 . . . . 0.0 109.88 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.63 19.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 131.532 3.933 . . . . 0.0 116.009 167.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.76 -45.67 49.78 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 121.628 2.013 . . . . 0.0 113.552 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.288 11.9 mt -61.12 -46.88 88.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 110.53 -3.032 . . . . 0.0 114.744 170.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.47 -39.86 77.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.637 1.975 . . . . 0.0 113.086 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.28 -44.36 91.93 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.539 3.135 . . . . 0.0 112.796 175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.25 -34.74 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-O 124.757 2.217 . . . . 0.0 109.392 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.55 24.36 3.46 Favored Glycine 0 N--CA 1.431 -1.683 1 C-N-CA 131.491 4.377 . . . . 0.0 114.841 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -76.41 105.66 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 121.029 2.414 . . . . 0.0 108.357 -168.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -110.61 -172.93 2.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.407 -2.058 . . . . 0.0 111.625 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -148.03 -166.7 2.6 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 104.436 -2.431 . . . . 0.0 104.436 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -44.71 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.78 -4.71 60.03 Favored Glycine 0 N--CA 1.429 -1.796 0 O-C-N 119.852 -1.78 . . . . 0.0 116.549 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -133.85 -170.69 2.56 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.257 1.423 . . . . 0.0 109.337 -167.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -89.28 -165.06 1.25 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 159.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.87 119.15 37.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -108.6 145.32 35.08 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.37 -36.72 83.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 120.571 1.532 . . . . 0.0 112.827 -172.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.42 -23.11 64.13 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 130.588 3.555 . . . . 0.0 115.685 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -70.56 21.56 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.203 2.201 . . . . 0.0 115.261 170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -79.6 -18.82 50.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.41 -2.056 . . . . 0.0 112.245 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.57 -39.33 77.41 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.714 -1.241 . . . . 0.0 108.818 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -58.85 -50.42 74.04 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.461 1.904 . . . . 0.0 111.93 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.6 mm -51.56 -56.28 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 m -84.22 -37.87 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 119.022 -2.298 . . . . 0.0 114.321 -164.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 m -72.11 -22.21 61.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.905 1.812 . . . . 0.0 111.687 -157.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.17 7.33 29.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 131.06 3.744 . . . . 0.0 113.586 -174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.2 mt -93.61 108.15 19.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.1 p -101.49 -158.36 0.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 122.742 1.258 . . . . 0.0 111.373 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -38.37 88.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.528 2.331 . . . . 0.0 115.713 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.174 2.19 . . . . 0.0 112.341 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -49.25 -71.76 0.06 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.017 2.127 . . . . 0.0 110.96 162.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -39.66 -55.33 1.9 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -170.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.87 16.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.968 -1.708 . . . . 0.0 114.914 172.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -49.55 -56.9 8.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.909 2.484 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.25 -41.63 89.21 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.582 1.658 . . . . 0.0 110.779 -173.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.42 -36.45 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.178 1.791 . . . . 0.0 112.235 -174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.33 -41.62 63.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.53 -1.981 . . . . 0.0 110.915 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.4 -43.6 14.53 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 114.44 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -114.2 40.76 2.43 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.247 -1.533 . . . . 0.0 111.842 -170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.66 -27.84 66.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.908 1.683 . . . . 0.0 113.749 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.95 -37.59 45.4 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.274 2.23 . . . . 0.0 115.304 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.48 -41.03 9.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 124.373 0.987 . . . . 0.0 111.461 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.26 -41.94 96.7 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.606 1.562 . . . . 0.0 112.972 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.94 -49.07 74.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.273 1.429 . . . . 0.0 114.224 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.02 42.74 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 119.739 -1.85 . . . . 0.0 113.981 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.29 4.4 m -58.7 -19.78 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.03 -50.14 73.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.014 -1.679 . . . . 0.0 111.711 168.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -68.86 -46.8 67.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.477 1.511 . . . . 0.0 112.704 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -36.78 82.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.083 -1.636 . . . . 0.0 113.044 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.79 -47.9 70.33 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.222 1.828 . . . . 0.0 113.664 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.48 -16.58 62.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.497 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 73.7 mtp -80.96 -67.52 0.77 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 123.252 2.751 . . . . 0.0 113.034 161.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 88' ' ' THR 0.276 7.9 p90 -60.49 -22.15 63.2 Favored 'General case' 0 N--CA 1.43 -1.438 1 N-CA-C 126.252 5.649 . . . . 0.0 126.252 -167.568 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 87' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.429 -1.49 0 C-N-CA 128.17 2.588 . . . . 0.0 112.988 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 122.166 0.984 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -58.27 -28.45 64.96 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.334 -1.479 . . . . 0.0 114.307 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.73 -49.12 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 127.314 2.246 . . . . 0.0 114.107 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -44.67 -53.26 7.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.622 3.169 . . . . 0.0 113.269 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.425 HG23 ' CE1' ' A' ' 44' ' ' HIS . 89.4 m -56.42 -56.54 19.94 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.695 1.598 . . . . 0.0 114.524 171.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.2 -51.66 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 120.588 -1.32 . . . . 0.0 113.963 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -64.65 -28.23 69.47 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 122.71 2.505 . . . . 0.0 113.013 -167.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.68 -53.92 52.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.257 1.823 . . . . 0.0 113.353 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.05 -29.7 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.298 2.239 . . . . 0.0 113.431 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -80.57 -46.24 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 108.156 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -52.98 -57.74 9.33 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.944 2.498 . . . . 0.0 113.126 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.01 -33.36 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.626 -1.296 . . . . 0.0 112.702 -171.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.06 26.83 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 123.688 0.795 . . . . 0.0 112.641 166.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -56.88 -35.28 68.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.499 1.92 . . . . 0.0 114.521 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.15 -42.28 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.361 -1.462 . . . . 0.0 112.791 172.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.9 -28.7 22.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.256 -1.528 . . . . 0.0 112.257 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.681 HD12 ' CE1' ' A' ' 83' ' ' TYR . 9.0 pt -90.59 -24.23 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.144 -2.848 . . . . 0.0 117.243 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -70.84 -92.11 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.309 -2.119 . . . . 0.0 112.799 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -94.71 74.38 3.67 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.328 2.331 . . . . 0.0 110.593 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -171.5 -87.5 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.245 1.018 . . . . 0.0 111.894 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -147.3 101.75 3.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.299 -1.501 . . . . 0.0 111.769 -162.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -86.15 -30.02 22.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.399 -2.063 . . . . 0.0 111.069 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -50.05 -28.76 7.56 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 128.041 2.536 . . . . 0.0 115.248 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.78 -40.68 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.606 1.962 . . . . 0.0 111.339 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -68.93 -21.41 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 177.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.73 -49.04 77.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.535 1.534 . . . . 0.0 114.275 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.45 96.42 7.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.074 1.75 . . . . 0.0 107.585 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -61.81 -22.83 65.8 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 -169.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.84 -15.55 56.06 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 122.54 2.427 . . . . 0.0 112.535 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -73.25 -51.91 15.94 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 53.3 t80 -51.91 -50.95 60.08 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.544 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.93 -53.33 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 124.903 1.281 . . . . 0.0 110.658 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.15 -20.26 64.02 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.817 -0.552 . . . . 0.0 111.986 -170.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -86.19 -24.16 26.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.794 1.638 . . . . 0.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -72.71 -25.39 61.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.619 -2.551 . . . . 0.0 111.42 171.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -76.65 -32.84 58.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.706 -1.871 . . . . 0.0 115.129 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -46.06 -42.53 13.56 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.202 2.201 . . . . 0.0 115.346 164.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.0 -30.88 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 126.783 2.033 . . . . 0.0 114.251 170.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.81 35.12 5.71 Favored Glycine 0 N--CA 1.429 -1.774 0 O-C-N 120.499 -1.375 . . . . 0.0 111.691 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.47 121.94 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -141.67 167.11 22.92 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.823 2.049 . . . . 0.0 106.698 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 7' ' ' THR 0.275 35.4 m80 -137.33 -115.61 0.16 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.552 -1.342 . . . . 0.0 113.842 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.83 61.76 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 127.59 2.356 . . . . 0.0 115.993 -167.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.02 -8.4 60.47 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 126.646 2.069 . . . . 0.0 112.663 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -135.15 173.21 11.97 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.078 1.351 . . . . 0.0 111.569 -167.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 166.91 8.23 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.647 1.979 . . . . 0.0 112.617 166.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -84.25 113.57 21.2 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.725 -1.234 . . . . 0.0 108.543 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -109.93 155.13 22.14 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.59 -28.75 59.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -166.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.59 -37.34 86.95 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.557 -1.34 . . . . 0.0 112.622 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.2 m -71.31 18.6 0.07 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -96.0 -15.29 22.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.776 -1.827 . . . . 0.0 108.462 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -50.87 -49.67 58.69 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.189 -2.194 . . . . 0.0 115.167 157.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.55 -51.88 66.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.363 2.265 . . . . 0.0 114.554 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mt -46.84 -59.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.09 1.756 . . . . 0.0 114.331 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -84.0 -16.22 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.449 -1.407 . . . . 0.0 112.951 -165.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -72.03 -36.13 69.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.328 -1.483 . . . . 0.0 109.874 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.65 -28.23 64.64 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.22 113.25 25.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.514 1.526 . . . . 0.0 114.608 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -96.27 -158.06 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.002 -1.686 . . . . 0.0 110.239 169.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.04 -21.44 61.38 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.561 2.744 . . . . 0.0 112.592 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.39 -46.96 3.49 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.196 2.998 . . . . 0.0 115.628 167.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -63.81 1.16 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.283 1.833 . . . . 0.0 113.73 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -35.31 -63.75 0.32 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 130.279 3.432 . . . . 0.0 113.692 169.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -56.68 4.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 m -63.72 -47.58 80.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 130.678 3.591 . . . . 0.0 110.671 -172.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.02 -49.42 67.79 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.09 1.356 . . . . 0.0 108.531 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.86 -51.44 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 128.169 2.587 . . . . 0.0 111.578 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.45 -46.47 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -78.04 -45.61 23.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.003 -1.061 . . . . 0.0 113.386 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.84 135.03 18.06 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.043 1.401 . . . . 0.0 113.918 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -87.65 -35.86 17.78 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.34 -1.475 . . . . 0.0 113.661 -177.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -59.36 -38.12 79.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -164.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.73 -43.84 13.86 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.586 -1.321 . . . . 0.0 112.474 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -60.75 -51.37 69.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.925 1.69 . . . . 0.0 112.222 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.9 -45.67 88.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.21 -0.931 . . . . 0.0 112.29 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.6 -52.98 27.11 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.973 1.749 . . . . 0.0 114.583 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 p -74.23 -32.58 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 118.987 1.394 . . . . 0.0 113.804 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.26 -38.48 91.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.589 -1.945 . . . . 0.0 112.288 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -60.91 -37.55 82.66 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.054 1.342 . . . . 0.0 113.433 169.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.681 ' CE1' HD12 ' A' ' 19' ' ' ILE . 23.1 t80 -61.69 -49.64 75.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.663 -1.273 . . . . 0.0 111.968 168.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.14 -46.61 68.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.176 -1.577 . . . . 0.0 115.03 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.59 -30.58 64.51 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.614 -1.304 . . . . 0.0 113.579 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.5 mtt -85.94 -41.18 15.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.868 -1.77 . . . . 0.0 113.239 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -101.68 -74.51 0.62 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 111.847 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.43 -1.447 0 CA-C-N 120.83 1.65 . . . . 0.0 110.786 -173.012 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tptt . . . . . 0 N--CA 1.43 -1.433 0 CA-C-O 121.325 0.583 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -49.94 -29.01 7.57 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.275 -2.141 . . . . 0.0 114.453 164.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.6 -44.46 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 126.852 2.061 . . . . 0.0 111.991 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -51.28 -53.62 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 130.304 3.442 . . . . 0.0 112.511 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.9 m -53.7 -52.0 61.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 124.342 1.057 . . . . 0.0 112.861 172.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.7 t -66.39 -47.82 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -57.8 -37.59 74.03 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-O 123.329 1.538 . . . . 0.0 112.319 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.7 -50.24 63.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.534 2.334 . . . . 0.0 111.464 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.23 -54.28 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 119.968 1.258 . . . . 0.0 112.347 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.86 -39.38 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -63.81 -46.23 86.06 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.838 -1.789 . . . . 0.0 112.759 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.87 -29.89 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 121.421 -0.799 . . . . 0.0 111.495 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.49 45.92 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.992 -1.068 . . . . 0.0 113.425 168.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -51.34 -34.59 34.48 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.644 2.378 . . . . 0.0 115.286 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.77 -55.62 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.59 1.556 . . . . 0.0 110.756 171.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 22' ' ' SER . 0.2 OUTLIER -77.84 -29.03 50.3 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.74 -1.225 . . . . 0.0 112.829 -173.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 20.8 pt -77.62 -27.11 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 118.563 -2.586 . . . . 0.0 115.351 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -79.25 0.17 Allowed 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.309 -1.494 . . . . 0.0 109.411 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -53.08 20.74 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 135.158 5.383 . . . . 0.0 119.003 165.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.4 t -168.63 -68.95 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 122.179 2.263 . . . . 0.0 114.643 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -147.82 100.18 3.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.306 -1.496 . . . . 0.0 112.412 -160.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.2 -37.2 22.14 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.347 -1.471 . . . . 0.0 110.384 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -53.7 -13.78 0.76 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.88 -41.93 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.321 2.248 . . . . 0.0 112.233 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.54 -30.71 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.191 -2.193 . . . . 0.0 112.708 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.62 -39.81 0.36 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.259 3.024 . . . . 0.0 115.45 164.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -127.22 94.33 3.98 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.623 -3.103 . . . . 0.0 102.623 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -30.3 71.46 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.262 -2.149 . . . . 0.0 116.235 -151.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.86 -16.59 61.59 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.245 -2.159 . . . . 0.0 113.008 -171.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -69.02 -49.33 58.65 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 128.67 2.788 . . . . 0.0 110.795 172.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -58.23 -49.64 76.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.784 1.754 . . . . 0.0 111.884 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.07 -43.34 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.987 2.115 . . . . 0.0 111.017 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.22 70.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.256 1.979 . . . . 0.0 111.418 -172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -86.01 -33.54 21.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.29 2.636 . . . . 0.0 111.775 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.11 -42.68 91.1 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 118.677 -2.514 . . . . 0.0 112.592 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.422 ' OD1' ' HB3' ' A' ' 48' ' ' LYS . 19.5 m-80 -51.96 -55.41 20.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.487 -1.383 . . . . 0.0 114.466 176.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -34.04 -46.43 0.24 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 127.105 2.162 . . . . 0.0 116.822 167.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mt -56.3 -38.48 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.98 1.712 . . . . 0.0 113.125 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.11 46.24 0.83 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 124.934 1.254 . . . . 0.0 111.449 -168.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.12 116.29 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 109.178 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.2 p -126.5 151.15 48.2 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 127.685 2.394 . . . . 0.0 108.403 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.459 ' CE1' HD13 ' A' ' 49' ' ' LEU . 56.9 m170 -114.17 -118.86 0.31 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.251 -0.905 . . . . 0.0 109.429 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -76.16 85.53 3.0 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.473 -0.767 . . . . 0.0 112.203 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.56 -26.05 0.28 Allowed Glycine 0 N--CA 1.429 -1.768 0 O-C-N 116.798 -3.689 . . . . 0.0 121.629 -171.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -125.5 -165.07 1.36 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -167.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . 42.3 mmtm -92.42 -154.3 0.38 Allowed 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 123.388 2.813 . . . . 0.0 105.646 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.459 HD13 ' CE1' ' A' ' 44' ' ' HIS . 63.1 tp -98.72 128.14 44.87 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 123.475 2.852 . . . . 0.0 109.284 160.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -91.07 169.64 10.7 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.505 -1.372 . . . . 0.0 110.513 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -71.29 -42.28 68.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.287 -1.508 . . . . 0.0 109.676 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -49.7 -37.52 29.36 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.829 2.052 . . . . 0.0 116.075 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -68.43 -0.64 5.18 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -168.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.67 -18.45 64.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.394 -1.441 . . . . 0.0 114.005 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -56.32 -54.45 45.35 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.367 -2.083 . . . . 0.0 113.834 160.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -57.33 -44.27 84.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.498 2.319 . . . . 0.0 115.657 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -47.58 -68.4 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 127.134 2.174 . . . . 0.0 114.169 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.63 -25.03 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.332 1.053 . . . . 0.0 113.547 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.5 m -65.84 -49.86 66.68 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.535 -1.353 . . . . 0.0 111.403 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -47.54 85.94 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.76 130.09 44.87 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.389 2.276 . . . . 0.0 114.732 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -108.15 -169.49 1.52 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.49 -1.382 . . . . 0.0 111.483 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -80.02 -26.93 39.6 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.4 -1.437 . . . . 0.0 111.787 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.28 -51.2 65.35 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.29 1.836 . . . . 0.0 113.237 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -53.54 -60.96 2.64 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 128.521 2.728 . . . . 0.0 114.336 172.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -32.99 -56.28 0.38 Allowed 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 165.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.209 -1.557 . . . . 0.0 113.043 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -60.76 -33.07 72.39 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.948 -1.72 . . . . 0.0 113.626 163.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.6 tp -78.01 -37.65 46.59 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.529 -2.607 . . . . 0.0 110.432 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.84 -40.76 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 124.972 1.309 . . . . 0.0 109.83 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.23 -45.56 92.81 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 171.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -69.38 -47.72 63.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.174 -1.579 . . . . 0.0 114.037 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -145.99 96.79 2.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.143 0.973 . . . . 0.0 112.157 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.2 -31.93 71.69 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.083 1.353 . . . . 0.0 113.394 169.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.85 -49.42 49.22 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 129.191 2.997 . . . . 0.0 116.001 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.35 -31.51 63.42 Favored Glycine 0 N--CA 1.43 -1.721 0 O-C-N 121.335 -0.853 . . . . 0.0 112.972 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -71.33 -50.53 31.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.103 1.361 . . . . 0.0 112.004 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.02 -46.2 71.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.663 1.185 . . . . 0.0 112.601 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.23 -52.13 13.62 Favored Glycine 0 N--CA 1.43 -1.709 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 167.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.22 -23.95 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.866 -1.373 . . . . 0.0 113.437 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.26 -45.71 92.06 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.873 1.669 . . . . 0.0 112.347 170.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -69.7 -26.09 64.19 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.973 -1.704 . . . . 0.0 114.057 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 15.1 t80 -68.48 -49.24 61.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.564 -1.335 . . . . 0.0 110.377 166.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp -50.23 -57.3 8.1 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 127.705 2.402 . . . . 0.0 115.126 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -34.5 -72.96 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.092 2.557 . . . . 0.0 116.417 154.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.7 mmt -82.71 -29.32 29.93 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 123.864 3.029 . . . . 0.0 114.483 -165.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.32 -73.26 0.57 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.929 -1.107 . . . . 0.0 112.423 -173.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.446 0 C-N-CA 118.21 -1.396 . . . . 0.0 108.088 -155.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt . . . . . 0 N--CA 1.431 -1.416 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.98 -41.47 35.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 117.897 -3.002 . . . . 0.0 108.562 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 65' ' ' ASP . 12.4 mt -53.6 -27.76 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 128.202 2.601 . . . . 0.0 115.601 166.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HA ' HH11 ' A' ' 9' ' ' ARG . 19.6 t70 -56.16 -56.92 15.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.033 -1.667 . . . . 0.0 113.848 161.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -65.05 -50.21 67.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.114 -0.991 . . . . 0.0 113.256 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.91 -50.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.201 2.2 . . . . 0.0 115.401 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 12' ' ' ILE . 7.3 ptt-85 -82.29 -9.29 59.53 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 112.745 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.8 -38.25 67.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.314 -1.491 . . . . 0.0 111.265 162.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.34 -60.02 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.041 1.336 . . . . 0.0 112.015 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 9' ' ' ARG 0.275 0.0 OUTLIER -66.65 -32.11 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.85 -1.781 . . . . 0.0 115.16 -175.051 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -71.29 -43.89 66.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.083 -2.26 . . . . 0.0 111.04 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.7 -32.99 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 121.174 -0.954 . . . . 0.0 110.236 -172.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.66 82.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.46 -1.4 . . . . 0.0 112.893 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -54.22 -36.77 63.86 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -65.86 -55.53 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.511 -1.993 . . . . 0.0 113.089 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -39.21 -57.36 1.35 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.304 2.242 . . . . 0.0 115.282 161.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.26 16.4 pt -76.53 -41.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 117.908 -2.995 . . . . 0.0 114.93 -175.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -75.18 -33.87 61.48 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 116.976 -1.488 . . . . 0.0 113.776 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -110.85 13.86 22.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 122.035 2.198 . . . . 0.0 113.942 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -138.95 -80.95 0.31 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -150.03 112.86 4.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.382 -1.449 . . . . 0.0 114.751 -164.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.03 -47.95 81.54 Favored 'General case' 0 N--CA 1.43 -1.43 1 C-N-CA 131.712 4.005 . . . . 0.0 119.607 153.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -30.85 -44.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 167.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.21 -52.63 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 119.392 -2.067 . . . . 0.0 112.257 171.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -9.94 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.733 2.813 . . . . 0.0 118.179 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.65 -56.78 11.67 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 118.157 -2.839 . . . . 0.0 111.016 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -96.56 152.18 18.88 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.531 1.634 . . . . 0.0 107.415 170.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 mtm-85 -90.56 -31.2 16.81 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.419 -1.425 . . . . 0.0 111.307 -166.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.32 -12.76 15.04 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.924 2.089 . . . . 0.0 115.569 168.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.81 -51.55 5.03 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -43.29 -40.65 3.62 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 169.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -42.11 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 129.879 3.272 . . . . 0.0 112.761 -174.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.65 -53.57 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 117.44 -3.287 . . . . 0.0 116.098 158.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -61.44 -24.47 66.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.12 -26.79 48.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.917 1.287 . . . . 0.0 113.101 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.37 -32.18 73.41 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.588 -1.945 . . . . 0.0 113.593 171.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.06 -53.44 58.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.442 1.897 . . . . 0.0 115.895 171.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mt -46.69 -39.22 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.899 1.68 . . . . 0.0 112.109 164.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.86 43.39 7.7 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 124.451 1.024 . . . . 0.0 110.937 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -87.27 98.96 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p -103.06 -170.47 1.8 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.035 1.334 . . . . 0.0 107.821 -165.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.799 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 41.2 p-80 -160.09 -115.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.799 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 36.0 tt0 -83.34 77.5 9.78 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.958 -1.714 . . . . 0.0 110.577 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.47 -12.84 19.04 Favored Glycine 0 N--CA 1.431 -1.662 0 O-C-N 117.254 -3.404 . . . . 0.0 118.575 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -129.22 -168.73 1.98 Allowed 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.214 -1.168 . . . . 0.0 112.36 -165.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 54.9 mmtt -98.4 -175.12 3.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.063 2.145 . . . . 0.0 110.606 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.68 122.97 42.58 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.541 1.936 . . . . 0.0 106.892 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -109.67 168.35 9.47 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.88 -1.763 . . . . 0.0 108.655 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -77.14 -26.58 53.3 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 124.489 2.09 . . . . 0.0 111.174 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.67 -5.36 59.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.531 2.732 . . . . 0.0 114.689 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 p -79.3 18.27 0.71 Allowed 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.81 -1.806 . . . . 0.0 115.51 -166.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -64.36 -52.0 60.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.144 2.178 . . . . 0.0 113.941 -167.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -47.2 -37.3 10.05 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.19 -20.99 43.47 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.416 -1.428 . . . . 0.0 111.296 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.92 -56.18 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-O 117.815 -1.088 . . . . 0.0 112.129 167.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.39 -17.48 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 125.263 3.665 . . . . 0.0 115.296 -157.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.2 t -86.43 -17.29 34.69 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.185 -1.572 . . . . 0.0 111.257 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -76.43 -10.62 59.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.742 1.217 . . . . 0.0 113.628 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -107.56 138.08 44.43 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 127.091 2.157 . . . . 0.0 108.241 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -97.84 -157.25 0.58 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.125 -1.609 . . . . 0.0 108.509 173.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.16 -20.3 52.56 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.283 -2.136 . . . . 0.0 116.598 170.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.18 -27.85 66.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.42 -1.425 . . . . 0.0 111.585 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' HD11 ' A' ' 5' ' ' ILE . 1.5 p-10 -57.72 -52.77 64.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.891 1.276 . . . . 0.0 112.254 175.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -48.0 -51.29 24.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.448 3.099 . . . . 0.0 114.132 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -50.12 46.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.119 -2.238 . . . . 0.0 115.022 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -39.13 -64.12 0.48 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.419 2.688 . . . . 0.0 115.334 165.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -38.0 -49.77 1.29 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 169.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.97 -28.08 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 125.225 1.41 . . . . 0.0 110.641 -169.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.92 -36.49 41.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.237 1.415 . . . . 0.0 110.062 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -90.73 -46.27 8.35 Favored 'General case' 0 N--CA 1.428 -1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 113.371 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -136.46 73.33 1.45 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.315 -1.49 . . . . 0.0 111.544 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.87 -33.56 72.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.33 1.452 . . . . 0.0 110.951 172.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.49 -37.45 57.28 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.135 2.174 . . . . 0.0 115.017 175.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.94 -47.37 66.28 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.52 1.057 . . . . 0.0 114.037 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.95 -51.1 70.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.299 1.44 . . . . 0.0 111.304 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.27 -46.73 72.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.868 2.067 . . . . 0.0 114.571 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -60.76 7.3 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 125.37 1.462 . . . . 0.0 113.134 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -53.96 -43.29 69.76 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.033 1.742 . . . . 0.0 113.358 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -59.83 -44.68 93.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.044 0.938 . . . . 0.0 113.264 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 19' ' ' ILE . 2.4 t80 -64.56 -39.0 92.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.846 -1.158 . . . . 0.0 113.916 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.56 -52.37 65.45 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.178 1.391 . . . . 0.0 112.651 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.07 -28.75 61.54 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.624 -1.297 . . . . 0.0 112.504 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.63 -67.74 0.35 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 166.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.15 -69.53 0.75 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.952 -1.092 . . . . 0.0 112.017 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.43 -1.453 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.93 -144.328 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.5 tptm . . . . . 0 N--CA 1.43 -1.445 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.409 ' HB3' HD21 ' A' ' 61' ' ' LEU . 83.7 m-20 -47.53 -8.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.695 3.22 . . . . 0.0 119.695 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.5 mt -94.04 -55.78 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 1 C-N-CA 133.201 4.6 . . . . 0.0 107.841 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.31 -25.63 66.93 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.446 2.299 . . . . 0.0 108.271 170.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -61.3 -74.78 0.08 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.015 -2.928 . . . . 0.0 114.262 156.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.617 ' HA ' HG12 ' A' ' 11' ' ' ILE . 78.4 t -52.94 -36.31 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -174.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.297 0.1 OUTLIER -74.45 -37.68 63.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -41.5 -69.12 0.14 Allowed 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 115.854 -2.022 . . . . 0.0 114.086 147.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' VAL . 14.1 mm -37.5 -71.42 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 123.315 2.78 . . . . 0.0 117.283 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' H ' ' HB ' ' A' ' 11' ' ' ILE . 80.2 mt -37.27 -43.46 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 130.81 3.644 . . . . 0.0 115.052 170.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 m -70.41 -57.2 5.07 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.116 -1.615 . . . . 0.0 111.935 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.86 -52.9 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 O-C-N 120.39 -1.443 . . . . 0.0 114.19 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.4 -49.15 13.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.685 3.217 . . . . 0.0 119.685 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -89.84 -25.56 20.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.28 -0.887 . . . . 0.0 109.232 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.18 -31.69 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 121.538 -0.726 . . . . 0.0 109.769 169.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -51.68 17.38 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.939 -1.725 . . . . 0.0 112.46 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.6 pt -70.68 -32.79 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -34.81 -67.39 0.14 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.635 2.374 . . . . 0.0 116.725 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -117.72 79.83 1.42 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.845 -1.784 . . . . 0.0 109.288 164.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -148.47 -95.64 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.419 -2.675 . . . . 0.0 105.846 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -126.25 140.51 52.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.631 -1.918 . . . . 0.0 111.304 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -84.44 -16.94 40.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.5 2.572 . . . . 0.0 109.884 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.88 -43.34 73.07 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.17 2.988 . . . . 0.0 111.923 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -19.12 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 172.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.303 1.0 OUTLIER -93.83 -35.7 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 120.605 1.548 . . . . 0.0 114.56 169.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -45.35 -46.63 13.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -101.46 143.68 31.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -81.42 -45.3 16.27 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 127.172 2.189 . . . . 0.0 112.707 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.64 -40.69 2.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.226 3.011 . . . . 0.0 115.29 175.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -79.69 -33.23 41.25 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.913 2.485 . . . . 0.0 111.212 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.28 -49.17 62.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 124.236 1.969 . . . . 0.0 108.841 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.49 -43.9 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.167 173.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.76 62.44 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.85 -14.78 25.72 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.513 -2.617 . . . . 0.0 115.435 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.55 -52.15 66.81 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 152.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -39.42 -41.81 1.0 Allowed 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 128.389 2.676 . . . . 0.0 117.569 160.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.79 -55.44 32.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 166.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -37.16 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.036 1.734 . . . . 0.0 113.602 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.62 24.71 7.65 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 121.282 -0.886 . . . . 0.0 112.721 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 m -59.33 125.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.951 -1.323 . . . . 0.0 113.956 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.1 p -126.01 160.02 31.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 122.969 1.366 . . . . 0.0 110.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -123.4 -138.67 0.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 166.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.34 112.25 5.09 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.555 -1.966 . . . . 0.0 111.827 178.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.72 1.05 0.07 OUTLIER Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 120.664 3.025 . . . . 0.0 120.664 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -141.22 168.3 20.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.548 2.674 . . . . 0.0 108.646 -169.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -43.81 157.51 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.539 1.935 . . . . 0.0 115.921 156.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -81.27 146.65 30.32 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.67 2.486 . . . . 0.0 110.098 166.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.437 ' H ' HD13 ' A' ' 49' ' ' LEU . 4.4 t-20 -114.16 175.36 5.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.861 1.264 . . . . 0.0 109.113 -164.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.44 -4.14 29.5 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 165.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -107.31 -7.16 16.81 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.998 1.726 . . . . 0.0 112.342 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.7 p -78.46 23.84 0.29 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.899 2.079 . . . . 0.0 115.628 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -74.15 -24.84 59.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.984 -2.322 . . . . 0.0 112.401 -165.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -58.01 -52.66 64.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.116 2.566 . . . . 0.0 114.294 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -48.17 -32.24 6.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.862 2.865 . . . . 0.0 118.519 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.44 -69.08 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.028 1.731 . . . . 0.0 114.689 159.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.288 3.3 p -99.91 -8.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -155.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.9 p -60.24 -53.2 60.55 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.438 -3.289 . . . . 0.0 113.136 165.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -51.64 -15.7 0.51 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 4' ' ' ASN . 92.7 mt -94.76 127.37 40.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 123.521 1.629 . . . . 0.0 112.122 -170.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -116.85 -171.53 2.04 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.736 1.731 . . . . 0.0 113.151 -166.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -51.97 -46.94 65.0 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.333 2.253 . . . . 0.0 112.586 168.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -49.49 -42.3 43.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 128.158 2.583 . . . . 0.0 115.798 172.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -56.24 15.29 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.438 1.495 . . . . 0.0 110.036 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -51.49 -53.91 32.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 128.166 3.841 . . . . 0.0 112.689 -158.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -89.06 -25.8 21.74 Favored 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 108.388 -4.005 . . . . 0.0 110.75 -169.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.73 -35.76 79.34 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.905 -1.747 . . . . 0.0 112.32 173.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.47 -52.29 16.44 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.874 2.069 . . . . 0.0 111.949 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.5 mm -79.1 -6.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 1 C-N-CA 134.445 5.098 . . . . 0.0 108.772 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.12 -59.98 2.56 Favored 'General case' 0 N--CA 1.429 -1.487 1 O-C-N 115.332 -4.605 . . . . 0.0 112.865 148.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -76.52 -46.91 24.55 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -162.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.02 111.53 16.7 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.224 -1.548 . . . . 0.0 111.025 -172.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.46 -51.85 4.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.456 -1.403 . . . . 0.0 111.396 -170.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.79 -22.54 53.54 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -159.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.06 -34.58 37.21 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.01 -1.681 . . . . 0.0 113.081 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -69.61 -41.95 75.02 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.235 -1.156 . . . . 0.0 110.811 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -48.85 -51.92 27.03 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.948 2.099 . . . . 0.0 113.227 169.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.91 -59.09 4.58 Favored Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 126.812 2.149 . . . . 0.0 117.047 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.38 -38.79 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 121.268 -1.136 . . . . 0.0 113.158 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.59 -50.54 72.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.377 -1.452 . . . . 0.0 113.761 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -70.77 -34.53 71.91 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.471 -1.393 . . . . 0.0 113.189 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.47 81.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.44 -1.412 . . . . 0.0 111.212 172.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.5 tp -61.78 -35.92 79.56 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.634 -2.541 . . . . 0.0 114.561 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.16 -43.66 97.67 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.51 -1.369 . . . . 0.0 113.42 173.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.28 -71.55 0.11 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.464 2.705 . . . . 0.0 117.38 163.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.394 23.7 p90 -79.41 -72.03 0.41 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 125.51 3.777 . . . . 0.0 113.148 -158.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.466 0 CA-C-O 124.073 1.892 . . . . 0.0 108.492 -167.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -56.58 -31.37 64.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.033 1.333 . . . . 0.0 114.418 167.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -63.5 -50.14 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.104 2.561 . . . . 0.0 112.447 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -32.07 73.36 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 127.323 2.249 . . . . 0.0 112.772 171.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -57.22 -58.59 7.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.55 -3.219 . . . . 0.0 113.914 161.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.88 -43.55 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -62.59 -38.89 91.88 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.767 -1.833 . . . . 0.0 114.009 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -48.59 -59.53 3.44 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 159.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.18 -54.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 126.561 1.944 . . . . 0.0 113.595 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt -66.55 -39.79 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 -175.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -66.93 -51.92 49.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.348 -1.47 . . . . 0.0 112.512 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -51.55 -50.42 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.526 1.53 . . . . 0.0 114.585 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.62 10.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.61 1.564 . . . . 0.0 115.199 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.65 -44.6 69.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.756 2.422 . . . . 0.0 112.184 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.9 -34.27 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.355 -1.466 . . . . 0.0 111.938 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.97 -43.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.115 -1.615 . . . . 0.0 110.457 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.276 11.7 pt -75.29 -27.44 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 114.998 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -71.4 -63.78 1.05 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 122.948 2.613 . . . . 0.0 109.164 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -101.39 17.96 21.3 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -138.57 -75.09 0.38 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.222 -2.174 . . . . 0.0 113.786 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -147.96 104.77 3.6 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.474 1.488 . . . . 0.0 112.721 -161.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -84.98 -8.25 58.81 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.467 -2.021 . . . . 0.0 111.573 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.79 -4.02 5.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.954 2.502 . . . . 0.0 114.011 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -98.26 -19.52 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.903 -2.373 . . . . 0.0 110.244 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.79 -23.45 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 O-C-N 119.348 -2.095 . . . . 0.0 113.178 -171.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -46.91 -43.6 19.05 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 128.193 2.597 . . . . 0.0 117.383 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -120.69 100.49 7.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -67.99 -16.24 63.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -155.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.7 62.12 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.127 -2.233 . . . . 0.0 114.718 169.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -72.33 -35.31 68.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.526 -1.359 . . . . 0.0 112.79 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . 0.28 0.0 OUTLIER -68.86 -50.36 50.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.315 . . . . 0.0 110.987 179.553 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.0 mt -50.53 -48.49 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 129.154 2.982 . . . . 0.0 112.274 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.42 -31.31 53.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.833 -1.792 . . . . 0.0 108.047 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.489 -1.38 0 O-C-N 118.895 -2.378 . . . . 0.0 114.997 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.05 -31.2 64.27 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.939 -2.35 . . . . 0.0 111.141 166.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.23 -47.28 75.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.86 -37.8 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.082 -1.636 . . . . 0.0 112.107 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.2 41.69 5.15 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 124.144 0.878 . . . . 0.0 111.226 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.59 136.38 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.196 0.999 . . . . 0.0 108.796 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -114.22 173.76 6.28 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.429 -2.045 . . . . 0.0 109.613 -159.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.708 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 19.2 p-80 -157.03 -119.24 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 174.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.708 ' H ' ' CD2' ' A' ' 44' ' ' HIS 0.253 27.1 tt0 -84.81 86.69 7.32 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.899 -2.376 . . . . 0.0 107.938 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.85 5.12 8.39 Favored Glycine 0 N--CA 1.43 -1.718 0 N-CA-C 119.099 2.4 . . . . 0.0 119.099 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 62.5 mtm180 -140.38 173.86 11.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 126.823 2.049 . . . . 0.0 108.53 -162.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -94.85 175.57 6.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.106 2.23 . . . . 0.0 109.396 167.421 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 tp -93.75 124.12 37.53 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.129 -2.232 . . . . 0.0 113.711 -146.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -105.43 157.52 17.29 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.774 1.63 . . . . 0.0 112.798 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -95.6 -25.95 15.96 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 -163.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -78.26 -20.04 52.46 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.244 -2.16 . . . . 0.0 111.158 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -72.01 9.37 0.96 Allowed 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.58 -14.32 62.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.451 -2.03 . . . . 0.0 111.843 160.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -60.54 -46.63 89.48 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.27 -1.519 . . . . 0.0 111.399 164.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -56.74 -31.91 65.04 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.57 -59.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 CA-C-O 124.151 1.929 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.36 -11.39 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.293 2.237 . . . . 0.0 112.841 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -50.7 -37.11 39.44 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.163 -2.211 . . . . 0.0 116.519 153.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.51 -36.21 10.39 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.959 1.303 . . . . 0.0 112.461 -166.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.92 109.81 18.41 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.046 0.927 . . . . 0.0 111.125 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.434 ' HB ' ' H ' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -107.61 -157.38 0.61 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.557 2.343 . . . . 0.0 107.146 174.112 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' H ' ' HB ' ' A' ' 62' ' ' THR . 78.7 mt-30 -65.25 -21.82 66.78 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.704 -2.498 . . . . 0.0 114.71 -174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -50.47 -39.1 47.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -46.84 70.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.243 2.217 . . . . 0.0 110.899 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -50.37 -57.43 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.956 1.702 . . . . 0.0 112.639 173.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -56.72 -47.77 79.24 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.1 m -67.68 -43.61 79.77 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 129.849 3.26 . . . . 0.0 112.7 -168.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.28 -24.28 20.95 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.544 1.538 . . . . 0.0 109.149 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.65 -52.37 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 122.213 2.279 . . . . 0.0 111.156 166.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -40.47 -57.55 1.78 Allowed 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.062 2.145 . . . . 0.0 115.976 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.71 -44.97 9.14 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -133.4 65.41 1.59 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 119.512 1.051 . . . . 0.0 111.808 -168.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.27 -34.94 79.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.28 -1.512 . . . . 0.0 111.955 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -49.51 -36.52 23.43 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.752 2.821 . . . . 0.0 115.019 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.87 -53.87 34.7 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 125.004 1.288 . . . . 0.0 113.278 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -62.41 -45.99 90.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.175 1.39 . . . . 0.0 112.497 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.93 -48.45 80.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.01 1.724 . . . . 0.0 114.663 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.2 68.35 Favored Glycine 0 N--CA 1.429 -1.791 0 O-C-N 120.011 -1.681 . . . . 0.0 114.207 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.418 3.5 p -60.62 -41.05 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 114.971 -0.614 . . . . 0.0 112.243 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.09 -46.88 85.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.982 1.313 . . . . 0.0 113.857 170.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 ttm180 -59.66 -39.83 85.7 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.677 -1.889 . . . . 0.0 114.264 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.9 t80 -66.3 -50.45 63.6 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.892 1.677 . . . . 0.0 110.718 173.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.36 -43.08 74.73 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.161 2.185 . . . . 0.0 114.836 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.46 -48.46 80.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.389 1.475 . . . . 0.0 113.545 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -70.6 -62.7 1.29 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.863 1.665 . . . . 0.0 114.728 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -78.03 -69.92 0.52 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.138 1.375 . . . . 0.0 112.712 -165.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.43 -1.435 0 C-N-CA 117.884 -1.526 . . . . 0.0 110.262 -149.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 tptp . . . . . 0 N--CA 1.429 -1.493 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.51 -6.94 33.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.986 -1.697 . . . . 0.0 114.636 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.46 -64.14 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 127.86 2.464 . . . . 0.0 114.026 155.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -39.71 -57.78 1.46 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 130.007 3.323 . . . . 0.0 113.679 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 m -54.79 -65.63 0.54 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.481 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.75 -40.34 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.993 -1.692 . . . . 0.0 111.185 -167.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.416 1.086 . . . . 0.0 113.479 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.54 -43.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 168.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.92 -48.92 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.019 1.327 . . . . 0.0 111.204 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.9 mt -49.18 -54.19 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 127.746 2.418 . . . . 0.0 111.98 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 m -51.23 -70.01 0.1 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.909 2.084 . . . . 0.0 115.379 170.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.29 -29.08 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -54.34 32.75 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.315 -1.491 . . . . 0.0 113.651 165.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -54.47 -50.23 68.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.38 -28.6 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.554 1.141 . . . . 0.0 112.534 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 26' ' ' ILE . 2.9 tm? -65.12 -59.88 3.63 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.743 -1.848 . . . . 0.0 113.928 164.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -76.9 -32.3 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -167.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -44.58 -65.33 0.53 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -116.93 72.77 0.84 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.652 -1.28 . . . . 0.0 111.682 173.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -170.26 -98.54 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -121.59 130.58 53.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.551 1.941 . . . . 0.0 111.025 -176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -90.23 -14.91 32.42 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.158 1.783 . . . . 0.0 110.756 164.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.54 -25.96 67.67 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 113.074 -163.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.29 -49.48 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 128.077 2.551 . . . . 0.0 111.161 -175.589 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -61.66 -33.84 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.525 -1.359 . . . . 0.0 114.558 166.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.91 -49.45 77.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.474 1.488 . . . . 0.0 114.408 165.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -98.14 83.46 3.1 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.643 -1.911 . . . . 0.0 107.748 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -28.29 -44.21 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 131.417 3.887 . . . . 0.0 119.237 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.04 62.54 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.827 -1.171 . . . . 0.0 113.003 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -87.72 -17.53 31.52 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.704 1.202 . . . . 0.0 109.813 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.72 -67.49 0.26 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.477 -2.64 . . . . 0.0 114.13 156.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -34.52 -53.01 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 126.17 2.89 . . . . 0.0 115.578 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.252 . . -81.99 -11.52 58.8 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 111.146 -2.752 . . . . 0.0 116.666 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.17 -48.54 73.1 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.048 -2.282 . . . . 0.0 110.756 156.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.42 ' HA ' HG13 ' A' ' 40' ' ' ILE . 26.7 mt -53.94 -25.11 18.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 175.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -68.14 -46.2 71.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.539 1.936 . . . . 0.0 113.613 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -54.2 -58.21 8.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.197 2.199 . . . . 0.0 114.33 157.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 37' ' ' LEU . 2.6 mt -51.4 -26.62 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 1 O-C-N 116.159 -4.088 . . . . 0.0 119.061 -170.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.06 1.95 28.33 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.891 -2.381 . . . . 0.0 115.791 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.18 117.55 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 C-N-CA 125.69 1.596 . . . . 0.0 113.135 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -124.43 141.83 51.78 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.644 -1.285 . . . . 0.0 110.9 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -115.62 -137.53 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.536 -1.353 . . . . 0.0 110.131 171.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -45.09 77.64 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 148.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.66 -26.23 2.76 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 127.475 2.464 . . . . 0.0 115.82 162.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -125.72 172.43 9.81 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.593 1.557 . . . . 0.0 107.835 -167.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -74.81 165.41 25.29 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.718 1.607 . . . . 0.0 110.482 172.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.83 127.4 34.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.74 1.216 . . . . 0.0 112.205 -161.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.04 -175.17 4.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.705 -1.872 . . . . 0.0 111.184 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.82 -46.42 8.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.319 -1.488 . . . . 0.0 109.895 173.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.12 -7.41 35.88 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.079 2.252 . . . . 0.0 117.079 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -76.6 -4.74 44.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.011 -1.681 . . . . 0.0 115.285 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . 0.257 1.4 p90 -21.67 -53.09 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 119.239 3.052 . . . . 0.0 119.239 154.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -53.9 -41.73 67.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.833 1.778 . . . . 0.0 115.415 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -69.69 -51.97 29.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.405 1.082 . . . . 0.0 111.681 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.2 -39.96 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.784 0.802 . . . . 0.0 110.125 -168.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 m -74.71 -19.02 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.968 2.107 . . . . 0.0 113.784 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.9 m -65.84 -51.88 55.21 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.506 -1.371 . . . . 0.0 111.597 164.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.27 -45.22 73.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.2 mt -52.17 95.82 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 118.987 -2.321 . . . . 0.0 117.182 153.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -168.7 1.45 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.642 2.777 . . . . 0.0 108.593 159.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -74.38 -32.11 62.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.104 -2.247 . . . . 0.0 113.927 -151.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.4 -54.88 6.69 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.216 2.606 . . . . 0.0 112.854 165.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.35 -46.05 61.42 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.86 2.464 . . . . 0.0 112.597 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -56.46 -53.44 57.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.879 1.672 . . . . 0.0 111.993 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -66.74 -26.91 67.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.072 -1.017 . . . . 0.0 112.102 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.5 m -72.63 -37.86 67.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.448 1.499 . . . . 0.0 112.183 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -57.2 6.47 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 126.736 2.014 . . . . 0.0 114.053 169.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 70' ' ' ILE . 55.2 mt -52.28 -48.15 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 130.725 3.61 . . . . 0.0 113.997 165.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.25 -50.17 75.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.173 -2.204 . . . . 0.0 113.119 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -85.18 -46.32 11.19 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -136.01 62.64 1.61 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.37 -1.456 . . . . 0.0 113.136 -166.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -67.01 -27.78 67.71 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.348 -1.47 . . . . 0.0 114.427 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.66 -40.63 79.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.172 -1.58 . . . . 0.0 113.064 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.03 12.43 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 120.292 -1.505 . . . . 0.0 112.662 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -57.26 -56.67 18.83 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.91 1.684 . . . . 0.0 114.456 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -75.94 -20.39 57.99 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.134 -1.604 . . . . 0.0 112.372 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.45 -46.21 56.84 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.701 -1.249 . . . . 0.0 112.413 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 29.1 m -67.43 -39.0 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.209 175.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -58.03 -52.48 65.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.241 1.816 . . . . 0.0 113.64 174.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -63.37 -41.64 98.82 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 119.85 -1.781 . . . . 0.0 113.115 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -46.06 87.72 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.752 -1.218 . . . . 0.0 111.232 171.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.14 -40.9 47.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.23 -2.169 . . . . 0.0 115.566 173.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.46 -21.44 60.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.277 -1.514 . . . . 0.0 110.163 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 tpt -91.18 -40.85 11.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.329 1.852 . . . . 0.0 115.29 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.308 14.8 p90 -94.21 -76.11 0.49 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 121.715 2.052 . . . . 0.0 109.396 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.43 -1.467 0 CA-C-N 123.263 2.756 . . . . 0.0 109.443 -176.326 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 tttt . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -90.17 -27.55 19.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.938 -1.101 . . . . 0.0 108.35 159.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.9 -55.5 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.616 1.567 . . . . 0.0 110.418 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -40.44 -59.97 1.21 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 160.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.0 m -56.18 -36.69 68.64 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -88.18 -36.04 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 119.753 -1.842 . . . . 0.0 109.554 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -75.67 -9.15 58.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.174 -2.204 . . . . 0.0 113.073 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.57 -57.51 8.93 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 121.959 2.163 . . . . 0.0 108.559 162.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.59 -49.32 6.42 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 CA-C-O 124.065 1.888 . . . . 0.0 114.862 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.38 -52.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.432 1.893 . . . . 0.0 110.806 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -61.02 -50.82 71.81 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.1 -1.625 . . . . 0.0 111.985 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.48 -9.92 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 119.805 -1.809 . . . . 0.0 112.577 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.09 -36.08 35.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.845 -1.159 . . . . 0.0 110.744 168.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -73.08 -46.57 50.76 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.463 1.905 . . . . 0.0 110.03 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.44 -36.16 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.176 1.391 . . . . 0.0 111.907 172.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.58 -62.57 1.72 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.627 -1.295 . . . . 0.0 114.269 170.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.265 12.0 pt -77.37 -36.94 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -162.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -49.42 -62.58 1.47 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.879 1.799 . . . . 0.0 114.309 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -113.03 72.96 0.79 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.386 3.474 . . . . 0.0 107.34 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -171.64 -94.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.914 1.286 . . . . 0.0 108.642 150.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt-85 -129.18 152.55 48.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.542 -1.349 . . . . 0.0 112.758 -168.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.17 -21.82 24.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.908 1.814 . . . . 0.0 109.632 155.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -46.65 -21.37 0.19 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.978 2.955 . . . . 0.0 118.978 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.39 -51.37 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.683 -2.511 . . . . 0.0 112.853 166.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.349 16.2 m -67.64 -5.03 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 129.841 3.256 . . . . 0.0 115.777 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -72.56 -13.61 61.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.269 1.952 . . . . 0.0 116.269 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -144.27 150.51 38.01 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.0 -37.37 14.37 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.26 -2.15 . . . . 0.0 108.987 -150.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.94 33.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 159.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -57.74 -54.21 49.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.999 2.52 . . . . 0.0 114.978 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.26 -58.12 1.24 Allowed 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.254 2.222 . . . . 0.0 115.477 166.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.54 -40.97 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.9 3.28 . . . . 0.0 110.868 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.76 70.35 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 121.725 -0.61 . . . . 0.0 111.225 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -74.54 -35.43 63.11 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.88 -1.762 . . . . 0.0 110.799 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.53 -33.62 71.61 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.533 -2.605 . . . . 0.0 114.753 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.2 -53.87 47.6 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 126.958 2.103 . . . . 0.0 113.934 162.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -35.08 -55.7 0.6 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 162.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -50.82 -40.17 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.63 29.13 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -58.22 131.15 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 121.46 2.63 . . . . 0.0 113.029 165.456 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -148.06 165.41 30.89 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.107 1.763 . . . . 0.0 108.297 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.335 0.6 OUTLIER -123.75 -143.4 0.32 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 121.9 -0.5 . . . . 0.0 111.17 171.689 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.24 79.99 0.99 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.838 -1.789 . . . . 0.0 114.03 -173.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.88 -16.6 60.95 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.093 -1.629 . . . . 0.0 113.777 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -140.12 160.34 40.16 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.84 1.32 . . . . 0.0 108.205 -174.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.37 162.31 10.23 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.214 -2.179 . . . . 0.0 114.945 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 tp -34.44 122.67 0.51 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 118.764 2.876 . . . . 0.0 118.764 146.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -111.5 -171.94 1.94 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.798 -1.926 . . . . 0.0 105.798 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -78.07 -49.57 13.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 123.91 1.814 . . . . 0.0 108.371 167.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.32 -10.36 50.11 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.327 3.051 . . . . 0.0 116.179 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.8 p -71.46 3.57 3.73 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.34 1.856 . . . . 0.0 115.099 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.53 -49.41 54.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 128.166 2.587 . . . . 0.0 110.829 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -57.08 1.8 Allowed 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.494 2.318 . . . . 0.0 115.531 167.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -44.13 -72.49 0.06 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.157 2.183 . . . . 0.0 115.505 168.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.0 mt -46.92 -53.56 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.257 2.223 . . . . 0.0 112.934 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.26 -21.31 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.985 -1.697 . . . . 0.0 113.628 -168.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.1 p -75.27 -53.41 8.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.276 1.431 . . . . 0.0 111.286 172.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -44.05 -33.28 1.41 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.558 3.169 . . . . 0.0 119.558 166.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.43 120.72 22.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 120.214 1.37 . . . . 0.0 107.893 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -78.62 -157.24 0.11 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.372 -1.455 . . . . 0.0 109.568 -175.008 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' H ' HG22 ' A' ' 62' ' ' THR . 42.9 mt-30 -83.71 -34.98 24.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.828 -1.795 . . . . 0.0 110.325 168.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -59.14 -51.4 70.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 122.829 1.3 . . . . 0.0 111.946 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.35 -47.87 65.83 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.257 3.023 . . . . 0.0 112.349 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -49.06 -50.07 38.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 124.14 1.924 . . . . 0.0 112.995 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -52.87 8.15 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.186 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 m -38.71 -55.12 1.51 Allowed 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.332 1.878 . . . . 0.0 113.847 168.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.63 -72.36 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.63 -32.69 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-O 124.12 1.914 . . . . 0.0 106.572 -152.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.7 -39.08 27.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 130.351 3.46 . . . . 0.0 111.62 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.23 -46.0 68.45 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.534 -1.354 . . . . 0.0 111.574 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -136.41 99.9 4.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.15 0.976 . . . . 0.0 109.1 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -85.42 -37.79 19.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.434 1.494 . . . . 0.0 114.0 -173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.18 -47.74 45.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.414 2.286 . . . . 0.0 116.576 -167.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.57 -33.44 58.3 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.332 0.968 . . . . 0.0 113.851 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.53 -49.34 60.31 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 124.714 1.205 . . . . 0.0 111.332 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.6 -43.99 97.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.184 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.2 -41.95 62.06 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 126.181 1.848 . . . . 0.0 117.658 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.545 -1.562 . . . . 0.0 111.116 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.24 -42.11 85.64 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.666 -1.271 . . . . 0.0 112.454 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -65.44 -48.55 72.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.498 ' CE1' HD12 ' A' ' 19' ' ' ILE . 19.0 t80 -56.89 -49.55 75.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 124.598 1.159 . . . . 0.0 112.149 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.69 -31.32 70.59 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.687 1.595 . . . . 0.0 113.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.42 -20.87 33.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.56 -1.338 . . . . 0.0 112.617 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.5 mtm -95.13 -39.89 9.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 122.276 2.307 . . . . 0.0 112.69 168.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.98 -75.67 0.37 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.568 -1.332 . . . . 0.0 111.272 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.429 -1.479 0 C-N-CA 116.926 -1.91 . . . . 0.0 109.816 -160.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm . . . . . 0 N--CA 1.43 -1.448 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.18 -27.59 0.42 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 168.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 65' ' ' ASP . 49.2 mt -68.44 -43.83 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 127.077 2.151 . . . . 0.0 112.572 173.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.448 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 1.4 t70 -43.2 -62.73 0.96 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.407 1.883 . . . . 0.0 114.438 158.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 120.579 1.536 . . . . 0.0 114.577 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 61' ' ' LEU . 74.4 t -87.77 -40.24 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.591 -1.943 . . . . 0.0 110.977 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 6' ' ' ASP . 17.7 ptt180 -69.95 -23.56 63.21 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.566 -1.959 . . . . 0.0 112.571 -176.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.92 -52.21 60.9 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.429 1.891 . . . . 0.0 113.2 166.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -45.24 -51.32 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 168.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.29 -59.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.432 3.093 . . . . 0.0 111.596 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -56.0 -52.56 63.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.763 1.625 . . . . 0.0 113.308 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -70.25 -46.39 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.817 -1.177 . . . . 0.0 111.192 -173.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.81 -53.7 5.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 171.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -72.66 -37.22 68.0 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.175 0.512 . . . . 0.0 109.647 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.51 -44.56 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.599 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -46.58 12.96 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 121.85 2.114 . . . . 0.0 110.62 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.325 6.1 pt -73.31 -38.1 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.801 -1.812 . . . . 0.0 115.579 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -51.83 67.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 115.279 -2.296 . . . . 0.0 115.568 -173.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -115.48 19.22 15.57 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 122.41 2.368 . . . . 0.0 116.214 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 t -126.77 -90.38 0.53 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.325 -2.109 . . . . 0.0 111.846 158.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -116.88 119.76 36.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.696 -1.877 . . . . 0.0 113.35 -153.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.6 tt0 -88.22 -49.38 7.03 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 123.948 1.832 . . . . 0.0 112.931 -170.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -25.3 -46.06 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.424 4.69 . . . . 0.0 118.489 172.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.451 HD12 ' H ' ' A' ' 27' ' ' VAL . 2.3 pp -64.42 -40.64 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.638 -1.914 . . . . 0.0 115.696 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 24' ' ' GLU 0.385 4.6 p -68.46 -32.88 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.618 -1.301 . . . . 0.0 112.851 178.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -44.06 -36.13 2.41 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 170.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -138.09 107.94 6.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.88 2.072 . . . . 0.0 108.613 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -88.4 -21.41 24.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.46 -2.65 . . . . 0.0 112.487 -136.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -7.14 3.22 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 117.442 -3.286 . . . . 0.0 117.808 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.9 -22.42 20.91 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.268 -2.77 . . . . 0.0 110.785 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.56 -50.5 25.13 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.802 -1.999 . . . . 0.0 109.067 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -55.34 -55.55 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.139 1.376 . . . . 0.0 108.613 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.73 65.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.362 -1.462 . . . . 0.0 114.403 -165.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -82.29 -16.21 50.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.282 -2.761 . . . . 0.0 109.777 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.31 0.5 OUTLIER -82.03 -14.91 55.23 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.925 -1.109 . . . . 0.0 113.691 170.651 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.95 -19.21 23.52 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.323 -2.11 . . . . 0.0 112.273 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -40.26 -41.02 1.25 Allowed 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 155.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 127.481 2.313 . . . . 0.0 116.245 168.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.81 10.03 15.23 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.959 -1.088 . . . . 0.0 112.483 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.3 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 127.095 2.158 . . . . 0.0 112.406 160.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -120.42 151.46 39.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 164.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.268 61.4 m80 -133.71 -134.72 0.17 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.866 174.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.47 78.2 0.56 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -157.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.62 -21.63 43.57 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 119.271 -2.143 . . . . 0.0 111.45 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -142.38 173.58 11.4 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 123.756 0.822 . . . . 0.0 110.922 -153.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -63.91 178.93 0.57 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.825 -1.797 . . . . 0.0 110.929 151.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.95 157.7 29.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.544 -3.223 . . . . 0.0 111.293 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -112.07 177.25 4.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -76.86 -48.84 17.19 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.57 -23.96 53.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.99 3.716 . . . . 0.0 115.927 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -63.85 -7.94 9.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.003 -1.686 . . . . 0.0 114.202 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 6.3 t80 -71.49 -14.94 62.28 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.346 1.858 . . . . 0.0 113.281 -173.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER -58.46 -57.85 11.13 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 165.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -83.15 -7.82 59.58 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.321 2.248 . . . . 0.0 114.252 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 54' ' ' PHE . 28.7 mm -56.68 -78.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 136.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.4 -38.05 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 116.936 -3.603 . . . . 0.0 114.906 -153.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -51.58 62.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.039 2.136 . . . . 0.0 113.494 -169.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -40.97 -31.82 0.2 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 169.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 8' ' ' VAL . 16.9 mt -75.28 150.37 38.55 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.466 1.507 . . . . 0.0 111.156 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -123.5 -156.73 0.72 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.27 -1.518 . . . . 0.0 107.982 -156.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -81.86 -31.3 31.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.264 -1.523 . . . . 0.0 111.386 168.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -44.16 -53.54 6.4 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.705 2.002 . . . . 0.0 113.019 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HA ' HD11 ' A' ' 5' ' ' ILE . 3.5 t70 -50.14 -61.28 2.25 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.352 2.661 . . . . 0.0 110.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -36.57 -65.66 0.27 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.718 2.807 . . . . 0.0 115.351 -175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -85.47 -30.6 23.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.372 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -52.86 -52.25 58.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.452 1.933 . . . . 0.0 112.361 173.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 tp -54.24 -60.5 3.25 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.535 2.334 . . . . 0.0 112.295 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.2 -35.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 124.924 2.297 . . . . 0.0 105.917 -157.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.87 -47.09 82.06 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 131.283 3.833 . . . . 0.0 111.836 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -74.03 -45.39 49.94 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.83 -1.168 . . . . 0.0 112.1 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -135.79 100.9 4.59 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.323 -0.861 . . . . 0.0 112.157 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.17 -38.65 30.92 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -76.53 -42.81 41.8 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -154.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.59 90.35 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 120.561 -1.337 . . . . 0.0 114.465 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.02 -51.85 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.85 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.72 -32.89 74.48 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.29 -1.506 . . . . 0.0 113.037 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.22 82.7 Favored Glycine 0 N--CA 1.43 -1.723 0 C-N-CA 125.299 1.428 . . . . 0.0 115.727 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m -83.73 -36.58 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.975 -1.309 . . . . 0.0 110.083 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.51 -42.72 82.37 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.659 1.183 . . . . 0.0 113.139 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -57.83 -46.21 85.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.664 -1.273 . . . . 0.0 112.67 174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -40.6 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.865 -1.147 . . . . 0.0 112.537 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 tp -49.45 -47.53 48.21 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 121.23 1.832 . . . . 0.0 115.255 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.51 -35.59 80.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 123.937 0.895 . . . . 0.0 112.245 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.6 ttm -73.63 -45.44 52.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.387 22.8 p90 -83.18 -72.91 0.43 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 120.511 -1.368 . . . . 0.0 113.347 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 CA-C-N 121.745 2.066 . . . . 0.0 111.432 -169.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.98 -37.69 77.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.641 1.176 . . . . 0.0 112.355 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.27 -53.21 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 126.681 1.992 . . . . 0.0 111.154 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -36.85 -54.64 0.92 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 128.863 2.865 . . . . 0.0 116.896 159.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 m -63.45 -51.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 111.664 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 11' ' ' ILE . 59.1 t -58.3 -46.26 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -37.68 88.18 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.748 -2.47 . . . . 0.0 112.332 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -58.93 -39.52 81.86 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 126.969 2.108 . . . . 0.0 114.938 169.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.557 HG12 ' HA ' ' A' ' 8' ' ' VAL . 19.6 mm -54.34 -50.89 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.47 -52.63 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 125.647 1.579 . . . . 0.0 111.029 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -52.5 -61.69 2.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.521 2.328 . . . . 0.0 113.704 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -70.46 -36.68 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 123.787 0.835 . . . . 0.0 111.454 -166.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.84 29.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -59.12 -45.17 91.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.607 1.563 . . . . 0.0 111.703 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.7 pt -69.27 -20.12 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 18' ' ' LEU . 1.5 tt -82.48 -46.44 13.45 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 121.255 1.843 . . . . 0.0 111.31 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 29.6 pt -71.61 -33.04 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -174.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -38.78 -91.31 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 127.288 2.235 . . . . 0.0 116.685 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.77 18.63 17.72 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.558 2.89 . . . . 0.0 113.988 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -120.72 -81.56 0.64 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.753 -1.217 . . . . 0.0 114.01 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -143.87 111.1 5.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.735 -1.228 . . . . 0.0 109.649 -164.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -87.37 -25.81 23.65 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.335 1.454 . . . . 0.0 112.581 -174.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -38.71 -37.37 0.33 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.102 2.961 . . . . 0.0 116.716 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -45.83 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 126.671 1.988 . . . . 0.0 112.754 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 1.5 p -75.21 -30.63 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.105 -1.622 . . . . 0.0 114.533 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.31 -37.65 75.51 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.148 1.779 . . . . 0.0 115.371 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -109.15 86.25 2.25 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' H ' ' HG2' ' A' ' 30' ' ' ARG . 14.9 mmt85 -41.63 -44.23 3.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.691 3.219 . . . . 0.0 119.691 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -19.74 65.97 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.163 -1.586 . . . . 0.0 114.274 -177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -81.32 -40.29 23.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.13 1.772 . . . . 0.0 110.617 173.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 1.5 t80 -58.53 -56.08 26.77 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.743 1.217 . . . . 0.0 110.688 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.76 -56.11 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 119.774 -1.829 . . . . 0.0 111.184 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.95 -8.36 43.79 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -83.56 -30.95 26.63 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.922 -1.111 . . . . 0.0 110.504 165.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.26 -18.82 62.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.288 -2.758 . . . . 0.0 114.166 162.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -72.9 -46.36 53.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 118.048 -2.907 . . . . 0.0 111.016 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -37.46 -50.87 1.11 Allowed 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 164.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.97 -37.19 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.059 1.744 . . . . 0.0 112.843 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.49 43.54 0.89 Allowed Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 124.159 0.885 . . . . 0.0 112.001 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 133.93 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-O 124.547 2.118 . . . . 0.0 113.856 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -143.86 170.17 16.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.458 2.703 . . . . 0.0 110.217 -152.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -145.94 -128.93 0.07 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.225 1.01 . . . . 0.0 110.601 179.532 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -75.68 77.15 2.66 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.951 1.301 . . . . 0.0 112.416 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.81 -24.02 6.26 Favored Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 125.118 1.342 . . . . 0.0 114.774 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -117.25 162.24 18.2 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.527 -1.572 . . . . 0.0 110.43 -166.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 69.6 mmtt -55.11 147.26 16.45 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.132 2.173 . . . . 0.0 111.528 164.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 tp -74.59 123.35 24.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 118.858 -2.401 . . . . 0.0 112.081 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.54 149.13 28.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.748 1.219 . . . . 0.0 113.009 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.19 -33.16 72.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.619 -1.301 . . . . 0.0 113.338 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -67.38 -16.12 64.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -82.59 22.94 0.83 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.01 -38.36 70.38 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -50.58 72.92 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.956 -1.715 . . . . 0.0 113.63 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -24.7 39.14 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.2 mt -87.07 -69.22 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 124.676 1.191 . . . . 0.0 112.149 162.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.14 -37.6 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 117.149 -3.47 . . . . 0.0 114.823 -151.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.254 6.3 p -81.04 -1.15 42.88 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -88.2 -15.19 36.64 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.023 -1.673 . . . . 0.0 111.782 167.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.66 124.09 31.81 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.186 1.394 . . . . 0.0 111.125 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -90.67 -177.29 4.97 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.812 -1.805 . . . . 0.0 109.673 178.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.409 ' H ' HG22 ' A' ' 62' ' ' THR . 86.8 mt-30 -61.75 -39.36 91.33 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.631 -1.918 . . . . 0.0 112.976 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.45 -60.82 1.02 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 128.862 2.865 . . . . 0.0 114.214 163.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.57 -45.88 77.83 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.967 2.107 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -52.45 50.72 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 127.302 2.241 . . . . 0.0 112.289 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -80.99 -33.0 34.05 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.86 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -52.38 -45.96 66.01 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 120.062 1.301 . . . . 0.0 112.973 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.39 -53.5 57.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.175 1.79 . . . . 0.0 112.305 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.92 -52.48 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 127.195 2.198 . . . . 0.0 113.278 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -56.03 16.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.025 2.13 . . . . 0.0 114.294 175.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -35.84 67.56 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.876 -1.14 . . . . 0.0 113.753 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -122.76 70.54 1.01 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 122.463 1.125 . . . . 0.0 111.382 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.77 -23.78 58.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.663 -1.898 . . . . 0.0 112.335 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.36 -40.25 77.7 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.213 1.805 . . . . 0.0 113.879 170.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.01 97.67 Favored Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 124.453 1.025 . . . . 0.0 114.237 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.18 -52.92 63.53 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.631 1.572 . . . . 0.0 111.867 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -43.8 -65.97 0.44 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.207 2.203 . . . . 0.0 114.911 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.2 -57.69 15.84 Favored Glycine 0 N--CA 1.43 -1.744 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.89 -22.0 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -62.23 -54.66 37.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.317 -1.489 . . . . 0.0 111.54 169.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -67.33 -38.1 84.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.889 -1.132 . . . . 0.0 113.594 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.3 t80 -61.88 -47.03 86.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.802 -1.186 . . . . 0.0 112.451 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.94 -42.19 98.83 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.365 -1.459 . . . . 0.0 113.537 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -47.81 84.09 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.411 -0.806 . . . . 0.0 112.428 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.7 mmm -80.67 -41.1 24.32 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -97.77 -74.18 0.59 Allowed 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.674 -1.266 . . . . 0.0 113.507 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.43 -1.461 0 O-C-N 120.471 -1.393 . . . . 0.0 110.234 -153.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 tptm . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -86.59 -36.48 18.85 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.185 -1.572 . . . . 0.0 111.135 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.267 0.0 OUTLIER -68.27 -27.93 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 119.92 1.236 . . . . 0.0 113.879 176.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -45.93 -63.4 0.98 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 153.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -51.83 -56.86 11.45 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.983 1.713 . . . . 0.0 114.253 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -48.19 -57.93 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.404 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 167.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.39 -34.28 73.68 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.489 -2.007 . . . . 0.0 113.524 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.42 -44.03 88.93 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 170.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.7 -32.04 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 125.314 1.446 . . . . 0.0 111.517 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -36.76 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.532 -1.355 . . . . 0.0 109.565 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -65.12 -57.7 7.91 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.765 1.626 . . . . 0.0 111.31 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.47 -29.86 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.83 51.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.343 -1.473 . . . . 0.0 113.76 172.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -70.88 -40.44 72.25 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.743 -1.848 . . . . 0.0 112.236 170.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.01 -53.91 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.088 2.155 . . . . 0.0 112.378 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -36.78 -64.65 0.33 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.053 2.541 . . . . 0.0 116.363 164.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 83' ' ' TYR . 23.0 pt -77.53 -31.55 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -173.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -49.58 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.179 1.391 . . . . 0.0 113.98 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -112.87 18.39 18.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -124.46 -83.3 0.65 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.112 -1.618 . . . . 0.0 111.813 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -142.74 119.98 11.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.566 1.174 . . . . 0.0 113.376 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.9 -19.95 28.11 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.544 1.537 . . . . 0.0 109.985 171.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -59.64 -29.92 68.37 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-O 125.218 2.437 . . . . 0.0 113.272 -170.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.15 -30.74 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 128.465 2.706 . . . . 0.0 109.285 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -25.99 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.189 1.796 . . . . 0.0 112.341 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.33 1.38 11.7 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.974 -1.704 . . . . 0.0 113.868 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.01 97.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.804 1.242 . . . . 0.0 107.893 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -15.92 63.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.657 -1.902 . . . . 0.0 115.513 -167.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.49 -40.86 49.05 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.248 -1.533 . . . . 0.0 112.319 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.32 -52.68 57.27 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.387 -1.446 . . . . 0.0 111.985 169.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -37.91 -47.76 1.09 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -80.55 -36.56 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.032 1.733 . . . . 0.0 109.555 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.09 74.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 111.641 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.33 -46.93 82.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.056 -1.652 . . . . 0.0 113.244 166.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.316 0.8 OUTLIER -71.94 -10.05 59.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 177.717 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.29 -35.54 58.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.763 -1.836 . . . . 0.0 111.516 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.62 -42.96 3.61 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.235 2.214 . . . . 0.0 116.372 161.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -50.2 -33.56 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 119.458 -2.026 . . . . 0.0 116.41 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.41 34.09 2.17 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.476 -1.39 . . . . 0.0 112.81 -168.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.92 103.62 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.898 -1.354 . . . . 0.0 111.462 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -124.41 138.67 54.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.751 1.62 . . . . 0.0 108.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 46.3 p-80 -108.88 -131.43 0.31 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 116.744 -1.598 . . . . 0.0 107.173 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.523 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 2.0 mp0 -63.0 78.9 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.545 1.975 . . . . 0.0 115.395 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.39 -28.13 1.02 Allowed Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.111 -2.243 . . . . 0.0 117.091 -169.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -115.99 170.88 8.15 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.037 1.335 . . . . 0.0 112.972 -158.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 65.4 mmtt -77.93 164.13 25.39 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 129.627 3.171 . . . . 0.0 110.021 -177.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 tp -93.94 128.43 40.24 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.259 -2.15 . . . . 0.0 112.044 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -87.6 160.13 18.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.197 1.799 . . . . 0.0 112.746 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -92.92 -4.06 53.45 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.728 -1.233 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -107.67 -7.47 16.41 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.258 1.423 . . . . 0.0 113.715 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.9 p -89.67 15.73 9.08 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -44.75 -52.51 8.31 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.782 2.033 . . . . 0.0 114.644 163.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.49 -42.62 4.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -95.15 -15.81 23.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.711 1.204 . . . . 0.0 111.708 -176.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.86 -52.54 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 119.56 -1.963 . . . . 0.0 109.345 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.07 -37.77 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.78 -1.2 . . . . 0.0 113.289 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -50.55 -27.94 7.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 171.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.37 -16.25 16.28 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.786 -2.446 . . . . 0.0 114.358 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.28 100.64 0.48 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.531 1.932 . . . . 0.0 112.025 163.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.5 p -84.11 -166.64 1.48 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -70.63 -40.04 73.36 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 117.817 -3.052 . . . . 0.0 115.723 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -34.85 -58.04 0.52 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 118.092 2.627 . . . . 0.0 118.092 155.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -48.31 76.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.426 2.29 . . . . 0.0 111.363 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -49.49 -56.37 10.02 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.832 1.653 . . . . 0.0 112.464 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -58.72 -45.71 88.99 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.344 -1.472 . . . . 0.0 113.614 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.5 m -53.87 -45.49 71.02 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.282 3.033 . . . . 0.0 115.71 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.08 -65.19 0.64 Allowed 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.828 1.775 . . . . 0.0 114.792 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mm -47.75 -65.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 1 C-N-CA 133.557 4.743 . . . . 0.0 112.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.32 -50.65 72.09 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.862 2.465 . . . . 0.0 116.87 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.99 -45.88 47.22 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.218 0.917 . . . . 0.0 112.464 -172.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.05 79.24 1.82 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.233 1.016 . . . . 0.0 111.309 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.015 1.726 . . . . 0.0 114.086 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.39 -47.62 78.59 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.031 2.132 . . . . 0.0 116.438 -171.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.31 54.03 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 120.707 -1.246 . . . . 0.0 112.336 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.21 -46.58 83.27 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.363 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.08 -37.69 77.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.308 -1.495 . . . . 0.0 114.013 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.07 -25.82 47.21 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 119.943 -1.723 . . . . 0.0 112.949 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.316 1.7 p -80.98 -32.41 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 122.181 -0.599 . . . . 0.0 110.324 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -41.59 98.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 120.143 1.338 . . . . 0.0 114.126 173.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -61.98 -44.06 97.53 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.321 -1.487 . . . . 0.0 114.103 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CD1' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -68.66 -32.17 71.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.505 -1.372 . . . . 0.0 113.167 176.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.45 -39.7 81.36 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.113 2.165 . . . . 0.0 114.083 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.85 -45.12 71.91 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.36 -1.462 . . . . 0.0 112.578 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.2 ttm -56.83 -53.95 51.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -113.63 -9.41 13.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.532 2.733 . . . . 0.0 116.675 -165.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 0.5 OUTLIER . . . . . 0 N--CA 1.43 -1.444 0 CA-C-N 122.199 2.272 . . . . 0.0 113.876 150.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.07 19.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 -170.222 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.454 HG13 ' H ' ' A' ' 5' ' ' ILE . 42.3 mt -33.66 -62.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.332 2.653 . . . . 0.0 116.321 147.164 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.3 t70 -49.02 -57.64 6.22 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.553 1.941 . . . . 0.0 116.231 170.115 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -61.2 -30.95 70.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.481 -2.012 . . . . 0.0 114.006 -177.158 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 61' ' ' LEU . 72.8 t -82.76 -48.56 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 127.434 2.293 . . . . 0.0 114.096 176.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 20.4 ptt180 -61.53 -18.21 58.14 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 118.996 -2.315 . . . . 0.0 114.01 170.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.447 ' OE1' ' HE1' ' A' ' 44' ' ' HIS . 33.8 tt0 -69.98 -58.71 3.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.921 1.289 . . . . 0.0 110.481 167.309 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -42.48 -50.36 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 126.499 1.92 . . . . 0.0 115.508 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -79.75 -55.48 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.208 -1.558 . . . . 0.0 110.785 -172.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.5 m -56.07 -52.49 64.11 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.389 1.476 . . . . 0.0 113.144 -176.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.57 -44.29 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 CA-C-N 118.509 0.595 . . . . 0.0 110.154 -174.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.63 64.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 167.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.7 m -65.14 -41.91 94.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.716 1.207 . . . . 0.0 112.337 -176.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.27 -49.74 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.369 1.867 . . . . 0.0 112.352 173.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -84.25 -47.39 10.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.821 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.608 HD12 ' CE1' ' A' ' 83' ' ' TYR . 21.5 pt -61.85 -31.08 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 122.537 2.426 . . . . 0.0 115.71 -173.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.07 -71.66 0.06 Allowed 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 162.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -115.3 15.64 16.89 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.252 1.501 . . . . 0.0 112.184 -173.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -108.81 -72.14 0.73 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.064 -1.023 . . . . 0.0 111.526 176.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 127.54 0.33 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 123.44 1.591 . . . . 0.0 112.886 -153.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.79 -39.42 15.94 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.983 3.713 . . . . 0.0 110.829 173.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -24.07 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.803 2.841 . . . . 0.0 118.578 165.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.77 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.673 1.989 . . . . 0.0 112.482 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.371 9.1 m -59.45 -42.79 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.389 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -42.45 -33.33 0.65 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 177.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.45 83.96 2.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 169.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.256 14.1 mtm180 -25.99 -45.1 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.451 1 N-CA-C 123.799 4.74 . . . . 0.0 123.799 177.205 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.02 17.21 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 122.969 2.622 . . . . 0.0 116.729 174.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -89.89 -42.15 11.39 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.055 -1.653 . . . . 0.0 108.286 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -40.15 -49.12 2.61 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.956 3.317 . . . . 0.0 119.956 158.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -69.85 -45.8 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 126.899 2.08 . . . . 0.0 106.029 -175.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -14.57 62.72 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 117.995 -2.941 . . . . 0.0 115.62 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.6 -14.34 54.97 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 123.824 3.011 . . . . 0.0 106.921 175.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.18 -21.88 39.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.297 -1.502 . . . . 0.0 110.082 170.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -84.02 -9.87 58.32 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.233 -2.167 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.15 -52.47 23.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.892 1.677 . . . . 0.0 114.082 160.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -46.82 -36.86 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 173.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.48 42.84 6.37 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-O 119.311 -0.716 . . . . 0.0 113.91 -171.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -90.0 119.09 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 143.49 43.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.236 -1.54 . . . . 0.0 109.223 -168.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.447 ' HE1' ' OE1' ' A' ' 10' ' ' GLU 0.252 30.5 m80 -117.55 -112.49 0.34 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 119.809 1.186 . . . . 0.0 110.833 177.379 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.9 67.91 4.73 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.988 -1.07 . . . . 0.0 112.65 -166.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.11 -24.99 4.38 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 118.692 -2.505 . . . . 0.0 114.788 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -132.04 134.29 45.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.947 -1.326 . . . . 0.0 111.587 -153.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -44.71 124.86 4.54 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.799 2.039 . . . . 0.0 114.282 163.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.53 111.52 10.92 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.488 -2.008 . . . . 0.0 111.554 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -90.22 179.07 6.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.669 1.588 . . . . 0.0 110.135 173.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.68 -35.35 70.27 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.957 2.313 . . . . 0.0 109.255 -166.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -58.08 -25.86 61.83 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.934 4.094 . . . . 0.0 114.498 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -68.0 -12.38 60.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.717 -1.239 . . . . 0.0 113.758 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.6 -14.4 62.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.97 -1.706 . . . . 0.0 115.312 -177.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -69.2 -49.05 60.12 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.174 -1.578 . . . . 0.0 110.662 173.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.15 -49.27 32.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.509 2.724 . . . . 0.0 114.844 168.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.59 -75.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 128.004 2.522 . . . . 0.0 112.68 164.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.44 -21.71 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 122.007 2.185 . . . . 0.0 116.33 -155.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -88.2 -34.55 17.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 113.986 175.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -84.04 6.98 20.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.404 -2.06 . . . . 0.0 115.54 169.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD11 HG21 ' A' ' 8' ' ' VAL . 96.2 mt -89.17 132.17 34.96 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.34 -1.475 . . . . 0.0 108.188 146.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -114.97 -158.2 0.66 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.827 1.651 . . . . 0.0 106.763 -166.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -73.93 -47.57 36.79 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 162.003 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.73 -34.72 76.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.977 -1.702 . . . . 0.0 111.657 -166.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.85 -50.64 72.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.142 2.177 . . . . 0.0 112.189 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -44.35 -47.3 9.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.742 2.417 . . . . 0.0 114.376 173.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -74.22 -55.87 5.55 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.259 -0.901 . . . . 0.0 112.95 -176.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.9 m -37.42 -46.81 0.82 Allowed 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 130.444 3.497 . . . . 0.0 115.457 163.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.24 -63.18 1.18 Allowed 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 169.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.36 -42.5 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.254 2.622 . . . . 0.0 110.651 -165.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.68 -27.02 67.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 131.567 3.947 . . . . 0.0 111.874 -171.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.15 -47.16 9.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.155 -0.965 . . . . 0.0 112.567 174.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -126.56 86.55 2.53 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -175.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.84 -29.33 23.83 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.243 1.017 . . . . 0.0 110.334 178.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.73 -51.71 67.77 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.483 1.513 . . . . 0.0 113.144 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.64 -25.49 75.47 Favored Glycine 0 N--CA 1.43 -1.703 0 O-C-N 120.854 -1.154 . . . . 0.0 115.415 173.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -65.94 -50.47 64.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.279 1.432 . . . . 0.0 111.022 175.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.02 -50.25 74.46 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.978 -1.077 . . . . 0.0 111.295 168.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.08 -35.74 8.76 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 118.241 2.056 . . . . 0.0 118.241 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.01 -22.19 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 119.559 -2.142 . . . . 0.0 110.455 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -70.31 -33.43 71.53 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.75 -1.844 . . . . 0.0 111.362 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.192 1.397 . . . . 0.0 112.489 168.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 19' ' ' ILE . 4.6 t80 -66.64 -39.27 88.17 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.574 -1.329 . . . . 0.0 112.897 172.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.4 -53.71 55.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.837 1.655 . . . . 0.0 114.628 177.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.14 -33.52 70.14 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.174 0.99 . . . . 0.0 111.865 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 ttt -68.17 -52.49 33.93 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 169.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -105.87 -73.08 0.69 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.646 -1.908 . . . . 0.0 116.118 -169.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.429 -1.481 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.104 -141.339 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.95 -8.91 53.26 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 178.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -82.01 -50.29 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 126.632 1.973 . . . . 0.0 108.743 -176.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.47 70.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.489 1.516 . . . . 0.0 112.44 168.352 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.5 m -57.09 -36.72 70.94 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 169.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.08 -41.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 118.986 -2.321 . . . . 0.0 111.114 -174.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -12.87 60.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.76 -1.837 . . . . 0.0 112.831 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.59 -50.49 58.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.549 -1.344 . . . . 0.0 111.704 161.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.06 -49.42 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 125.376 1.47 . . . . 0.0 113.659 174.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.02 -38.43 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 124.998 1.319 . . . . 0.0 112.164 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -59.17 -62.59 1.77 Allowed 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.723 -1.236 . . . . 0.0 111.364 171.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.54 -12.34 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.995 -1.691 . . . . 0.0 114.471 -171.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.4 -34.62 17.49 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.094 0.958 . . . . 0.0 111.176 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -84.85 -33.97 22.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.865 -1.147 . . . . 0.0 110.598 -178.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.62 -21.99 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.601 -1.312 . . . . 0.0 110.901 170.091 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -64.53 -71.2 0.19 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.473 -2.017 . . . . 0.0 114.542 166.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 18.3 pt -70.79 -36.29 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -160.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -38.97 -64.09 0.48 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.474 2.31 . . . . 0.0 115.196 -178.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -110.61 43.84 1.35 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.028 1.731 . . . . 0.0 113.039 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.5 m -135.72 -96.05 0.24 Allowed 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 113.016 173.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.06 143.71 29.57 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.895 1.278 . . . . 0.0 107.667 -172.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.51 -34.74 60.83 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 125.011 2.338 . . . . 0.0 111.716 172.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.05 -24.08 2.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.978 2.911 . . . . 0.0 116.522 -162.209 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -69.76 -46.91 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 118.971 -2.33 . . . . 0.0 112.902 170.746 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.43 -8.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 126.627 1.971 . . . . 0.0 113.441 176.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.59 -24.99 66.41 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -128.13 136.91 51.8 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 160.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -76.94 -19.61 57.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 125.343 3.701 . . . . 0.0 114.799 -174.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.53 1.12 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.374 1.47 . . . . 0.0 114.808 169.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -35.7 -47.17 0.47 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 121.55 3.907 . . . . 0.0 121.55 155.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' HG22 ' A' ' 26' ' ' ILE . 4.9 t80 -58.21 -55.0 40.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.833 2.053 . . . . 0.0 112.497 176.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.1 mt -61.24 -41.66 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 126.52 1.928 . . . . 0.0 110.62 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.75 90.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.844 0.83 . . . . 0.0 110.162 -176.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.03 -34.88 22.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 159.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.91 -13.86 60.97 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 117.135 -3.478 . . . . 0.0 114.421 173.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -75.63 -39.6 57.53 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 118.961 -2.337 . . . . 0.0 112.837 169.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -44.88 -30.32 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.524 3.527 . . . . 0.0 120.524 154.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.76 -23.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.504 -1.997 . . . . 0.0 110.504 169.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.09 42.8 4.88 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 119.054 -2.279 . . . . 0.0 111.967 164.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.27 114.84 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 126.13 1.772 . . . . 0.0 112.472 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.8 p -99.51 149.5 23.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.021 -2.299 . . . . 0.0 115.357 -157.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HE1' ' HB2' ' A' ' 47' ' ' ARG . 2.3 p-80 -131.63 -176.72 4.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 163.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -45.88 92.88 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 -27.34 6.85 Favored Glycine 0 N--CA 1.429 -1.772 0 C-N-CA 126.84 2.162 . . . . 0.0 116.772 175.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB2' ' HE1' ' A' ' 44' ' ' HIS . 65.6 mtt180 -135.12 172.19 13.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 119.502 1.651 . . . . 0.0 110.556 -168.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 174.71 11.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.471 -2.018 . . . . 0.0 108.316 171.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -97.85 122.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.773 -1.83 . . . . 0.0 112.903 -168.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -96.13 179.93 4.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.967 1.307 . . . . 0.0 109.76 172.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -72.32 -55.03 7.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.573 -1.954 . . . . 0.0 110.022 -163.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -36.31 -37.36 0.12 Allowed 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 132.688 4.395 . . . . 0.0 118.01 -178.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -85.21 15.29 4.35 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.461 -2.025 . . . . 0.0 114.787 -174.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -54.98 -34.6 63.49 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.473 1.909 . . . . 0.0 113.522 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -32.47 -68.98 0.09 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.688 2.106 . . . . 0.0 116.688 153.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -84.88 -9.27 58.29 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.993 -1.692 . . . . 0.0 115.079 -171.862 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -45.73 -67.77 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 120.236 -1.54 . . . . 0.0 115.042 148.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.56 -32.56 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -165.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -48.67 -45.48 38.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.713 2.005 . . . . 0.0 115.004 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -66.69 -13.66 61.55 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.56 147.11 27.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.995 1.379 . . . . 0.0 113.299 -168.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.4 m -124.08 151.51 43.77 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 128.315 2.646 . . . . 0.0 107.351 -176.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -25.07 -31.4 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 132.932 4.493 . . . . 0.0 120.927 176.063 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -33.52 -53.49 0.42 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.725 2.81 . . . . 0.0 113.211 161.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -50.65 -54.08 25.8 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 129.383 3.073 . . . . 0.0 113.645 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -57.28 -45.57 83.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.695 1.998 . . . . 0.0 111.092 -164.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.54 -40.7 18.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.253 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.6 m -52.51 -51.23 60.54 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.516 1.526 . . . . 0.0 113.789 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.87 -60.21 3.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.33 1.452 . . . . 0.0 112.638 175.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.71 -32.51 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.695 -1.253 . . . . 0.0 112.468 -169.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.81 -45.22 67.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.107 -1.62 . . . . 0.0 115.192 171.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -73.93 -46.72 42.5 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.012 -1.68 . . . . 0.0 112.328 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -107.71 26.43 10.31 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.327 1.451 . . . . 0.0 112.882 -157.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -49.06 -53.37 20.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.36 2.264 . . . . 0.0 113.597 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.335 1.054 . . . . 0.0 113.518 179.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.57 89.7 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 124.939 1.257 . . . . 0.0 113.911 177.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -65.97 -51.92 54.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.461 1.904 . . . . 0.0 112.046 175.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.15 -39.96 88.21 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 178.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.19 -57.37 17.09 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.361 0.981 . . . . 0.0 113.571 175.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.04 -32.18 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.309 -1.701 . . . . 0.0 115.386 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -53.3 -45.3 68.91 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.221 1.409 . . . . 0.0 112.165 172.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.62 -28.75 66.19 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 11.5 t80 -66.14 -44.43 84.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.543 -1.973 . . . . 0.0 110.583 170.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.79 -38.44 91.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.573 1.549 . . . . 0.0 113.023 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.81 -45.91 80.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.564 -1.335 . . . . 0.0 112.344 172.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.6 mmt -79.23 -39.55 32.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 120.037 1.29 . . . . 0.0 114.097 -174.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.6 -69.95 0.72 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 121.725 2.057 . . . . 0.0 112.888 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.43 -1.443 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.731 -157.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 121.978 0.894 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -87.25 179.12 6.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 124.065 1.888 . . . . 0.0 113.855 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -84.48 -18.01 37.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 114.662 -1.154 . . . . 0.0 107.976 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.58 -52.14 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.569 1.548 . . . . 0.0 110.145 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 -59.45 2.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 130.82 3.648 . . . . 0.0 112.756 167.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -49.63 -62.28 1.64 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.13 -41.31 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.455 1.902 . . . . 0.0 114.478 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -65.31 -31.34 72.43 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 122.171 2.259 . . . . 0.0 112.013 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.112 1.365 . . . . 0.0 113.304 172.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.43 -61.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.854 -1.154 . . . . 0.0 112.074 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.33 -47.2 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 125.144 1.378 . . . . 0.0 114.189 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -67.87 -40.06 83.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.139 -1.6 . . . . 0.0 113.082 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.62 -35.97 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 120.804 -1.185 . . . . 0.0 110.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.32 -54.67 42.7 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -51.89 -50.25 61.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.16 2.184 . . . . 0.0 113.271 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.45 -42.25 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 119.558 1.072 . . . . 0.0 113.185 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.444 HD11 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -77.82 -22.74 49.56 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.635 -1.291 . . . . 0.0 113.19 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.298 13.0 pt -85.67 -57.39 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 118.611 -2.555 . . . . 0.0 115.147 169.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.255 1.7 tmtp? -29.6 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.876 3.27 . . . . 0.0 116.057 -174.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.32 18.3 22.09 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 125.227 3.649 . . . . 0.0 111.893 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -125.2 -76.87 0.59 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -171.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt85 -140.77 91.35 2.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.392 -1.442 . . . . 0.0 112.024 -160.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.43 -31.49 18.79 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.321 -1.487 . . . . 0.0 113.013 -172.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.86 -13.84 2.96 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 129.104 2.961 . . . . 0.0 116.845 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD11 ' A' ' 18' ' ' LEU . 7.0 pt -96.15 -21.99 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 C-N-CA 126.311 1.844 . . . . 0.0 112.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG21 HG21 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -76.39 -23.55 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 125.168 1.387 . . . . 0.0 111.798 173.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -49.76 -58.95 4.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.713 2.805 . . . . 0.0 115.558 165.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.78 89.37 2.99 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.988 1.715 . . . . 0.0 107.096 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.01 -5.32 16.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -157.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.01 55.66 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 120.065 1.302 . . . . 0.0 111.41 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -66.35 -45.22 80.94 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.83 1.252 . . . . 0.0 110.63 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.03 -51.79 22.7 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.518 1.527 . . . . 0.0 114.728 167.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.9 -53.26 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.973 1.709 . . . . 0.0 110.802 -173.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.88 -13.14 60.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.08 -25.2 25.98 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 121.769 2.077 . . . . 0.0 110.825 166.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -33.05 51.79 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.279 -1.513 . . . . 0.0 111.989 175.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -72.44 -39.48 67.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.66 -2.525 . . . . 0.0 113.216 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -33.6 -43.53 0.13 Allowed 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.144 2.978 . . . . 0.0 117.219 163.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.18 -37.52 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.706 2.402 . . . . 0.0 115.822 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.42 23.46 5.71 Favored Glycine 0 N--CA 1.431 -1.696 0 O-C-N 120.24 -1.538 . . . . 0.0 112.649 -164.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -83.33 109.73 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -117.31 155.87 28.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 121.652 2.024 . . . . 0.0 112.54 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -128.01 -125.48 0.22 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.471 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -86.36 66.2 9.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.64 -166.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.53 -11.2 19.68 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.597 1.57 . . . . 0.0 114.923 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.67 174.73 10.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.082 1.353 . . . . 0.0 110.807 -159.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -79.47 171.26 15.4 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.77 -1.206 . . . . 0.0 111.105 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -81.22 132.35 35.34 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.863 -1.773 . . . . 0.0 112.893 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -108.01 139.11 43.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.444 1.498 . . . . 0.0 108.465 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -70.65 -18.65 62.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.681 -1.887 . . . . 0.0 113.452 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -63.75 -28.33 69.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.416 2.286 . . . . 0.0 113.594 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m -78.81 7.45 7.05 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.74 -28.76 57.56 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 118.986 -2.321 . . . . 0.0 115.423 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -60.67 -43.71 97.36 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.793 -1.817 . . . . 0.0 113.282 168.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.07 -13.82 62.66 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.226 3.011 . . . . 0.0 115.416 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -82.29 -69.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 121.122 -0.986 . . . . 0.0 109.037 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.49 -27.71 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.763 -1.21 . . . . 0.0 114.23 -159.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -72.73 -37.52 67.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.193 -0.942 . . . . 0.0 111.353 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -4.23 44.94 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.935 2.494 . . . . 0.0 116.825 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.01 157.56 19.42 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.362 -1.461 . . . . 0.0 108.433 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -114.6 -177.07 3.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.37 -36.04 71.31 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.738 -1.851 . . . . 0.0 110.914 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -50.65 -47.66 58.49 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 125.783 2.706 . . . . 0.0 112.91 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.28 -38.3 68.82 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 128.725 2.81 . . . . 0.0 113.105 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -52.9 -50.66 63.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.002 -1.061 . . . . 0.0 112.247 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -62.91 -55.98 21.24 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.879 1.672 . . . . 0.0 110.557 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.9 m -38.97 -53.21 1.77 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 131.659 3.984 . . . . 0.0 115.959 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -45.54 83.36 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 124.499 2.095 . . . . 0.0 112.014 -174.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.88 -58.59 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 110.878 -2.874 . . . . 0.0 109.851 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -43.83 81.06 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -176.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -71.58 -45.69 61.48 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.301 -1.499 . . . . 0.0 113.432 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.88 63.38 0.92 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 110.423 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.32 -29.16 66.93 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.796 -1.19 . . . . 0.0 112.288 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -54.99 -45.31 75.03 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.15 1.78 . . . . 0.0 112.749 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.34 -31.27 57.32 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 124.362 0.982 . . . . 0.0 114.234 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.15 -55.89 14.12 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 118.196 0.998 . . . . 0.0 111.231 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.86 -41.94 83.46 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 113.112 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.36 -57.7 7.07 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.066 1.317 . . . . 0.0 114.907 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.62 -30.44 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 119.18 1.49 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -62.23 -38.14 88.06 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.203 -1.561 . . . . 0.0 112.474 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -66.95 -41.83 86.26 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.391 -1.443 . . . . 0.0 113.375 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.8 t80 -59.81 -47.23 86.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 124.712 1.205 . . . . 0.0 111.191 172.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.76 -52.86 54.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.884 2.074 . . . . 0.0 115.515 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.33 -30.86 66.7 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.552 -1.343 . . . . 0.0 113.568 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.9 ttm -89.04 -42.73 11.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -87.12 -74.15 0.45 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.553 -1.342 . . . . 0.0 111.532 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.24 139.44 2.75 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.393 -1.323 . . . . 0.0 109.758 -167.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -92.28 121.43 33.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.149 -1.594 . . . . 0.0 109.937 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 tttm . . . . . 0 N--CA 1.429 -1.488 0 O-C-N 120.202 -1.561 . . . . 0.0 109.299 166.558 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.429 -1.48 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -107.28 166.59 10.52 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.217 -1.552 . . . . 0.0 107.323 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -71.66 -16.01 62.24 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.629 -1.919 . . . . 0.0 113.47 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.08 -57.35 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.498 0 C-N-CA 126.16 1.784 . . . . 0.0 109.872 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -54.02 -43.92 70.53 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 125.925 1.69 . . . . 0.0 112.465 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -53.59 -64.86 0.69 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.156 1.382 . . . . 0.0 111.861 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 97.0 t -81.16 -28.65 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 121.797 2.09 . . . . 0.0 112.584 -171.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -72.16 -12.34 61.14 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.668 -1.895 . . . . 0.0 113.386 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -76.33 -48.49 19.83 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.873 162.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -47.44 -46.73 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 121.81 2.095 . . . . 0.0 114.8 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -53.99 -56.35 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.898 2.079 . . . . 0.0 111.294 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 m -64.27 -58.78 5.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.57 -1.956 . . . . 0.0 114.618 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.271 6.6 m -50.16 -35.13 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 175.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.68 -32.63 64.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.104 -2.248 . . . . 0.0 114.332 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 p -73.93 -39.67 63.62 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 123.719 0.807 . . . . 0.0 112.194 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.91 -44.81 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.602 1.561 . . . . 0.0 112.772 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -54.17 14.29 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.412 -1.43 . . . . 0.0 111.072 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 19' ' ' ILE 0.344 17.1 pt -67.54 -41.72 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 -168.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 6.7 mtpt -51.03 -63.68 1.05 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -154.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -115.8 68.53 0.72 Allowed 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.076 0.95 . . . . 0.0 111.752 165.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -153.04 -94.09 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.186 -1.571 . . . . 0.0 112.28 167.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -119.83 125.38 48.39 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.215 1.806 . . . . 0.0 113.633 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -92.54 -27.12 17.58 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 127.822 2.449 . . . . 0.0 111.798 168.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -46.45 -49.85 17.64 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.641 1.976 . . . . 0.0 115.791 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -47.55 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.892 -1.13 . . . . 0.0 113.983 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.261 3.6 p -66.94 -16.52 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.24 -36.74 82.28 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.445 -2.035 . . . . 0.0 112.471 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -108.14 102.9 12.02 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.393 -1.442 . . . . 0.0 109.314 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -50.41 -51.07 49.64 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -162.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.47 -44.87 3.04 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.656 3.182 . . . . 0.0 114.402 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -69.46 -36.83 76.96 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 124.111 1.91 . . . . 0.0 110.456 -177.399 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -75.3 -36.74 61.1 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.953 -1.717 . . . . 0.0 110.766 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -51.86 -42.73 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.574 1.549 . . . . 0.0 113.095 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASN . . . -58.03 -45.98 86.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 131.05 3.74 . . . . 0.0 112.962 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.73 -51.72 68.39 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 131.356 3.862 . . . . 0.0 114.359 160.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.95 -49.55 77.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.112 3.142 . . . . 0.0 114.549 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -34.81 -43.72 0.19 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 130.856 3.662 . . . . 0.0 114.633 158.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.24 -42.9 96.22 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.724 1.725 . . . . 0.0 113.794 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.28 -38.04 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 128.505 2.722 . . . . 0.0 110.081 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.24 19.73 5.4 Favored Glycine 0 N--CA 1.43 -1.736 0 C-N-CA 125.712 1.625 . . . . 0.0 114.098 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 42' ' ' VAL . 23.2 t -49.41 114.37 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 C-N-CA 126.79 2.036 . . . . 0.0 113.281 150.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -152.73 -175.06 5.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.707 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 5.8 p-80 -132.81 -118.99 0.2 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.707 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 75.4 mt-10 -75.87 59.14 1.21 Allowed 'General case' 0 N--CA 1.43 -1.443 1 C-N-CA 132.894 4.478 . . . . 0.0 111.943 172.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.2 82.31 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 125.266 1.412 . . . . 0.0 113.283 166.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -128.44 156.44 43.2 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 130.686 3.594 . . . . 0.0 108.358 -175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -46.46 163.23 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.298 2.239 . . . . 0.0 114.996 172.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 tp -85.14 113.2 21.34 Favored 'General case' 0 N--CA 1.429 -1.524 0 O-C-N 117.924 -2.985 . . . . 0.0 110.61 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.55 -173.2 3.68 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 123.968 1.842 . . . . 0.0 114.982 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -47.24 15.15 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 128.409 2.684 . . . . 0.0 114.717 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -69.83 -44.52 69.77 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.743 2.017 . . . . 0.0 115.556 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -37.49 -34.46 0.1 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 131.411 3.884 . . . . 0.0 116.336 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -14.56 17.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.634 1.174 . . . . 0.0 113.775 -178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -72.09 -33.3 67.76 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 124.842 1.257 . . . . 0.0 111.334 168.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.44 -40.37 95.61 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.409 -2.682 . . . . 0.0 111.051 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 8' ' ' VAL . 46.2 mt -55.42 -69.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.12 -41.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 130.92 3.688 . . . . 0.0 117.651 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -57.09 -54.58 45.14 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.775 2.03 . . . . 0.0 113.013 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -79.99 5.31 14.38 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.772 1.629 . . . . 0.0 114.743 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -92.17 115.48 28.11 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -172.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -82.0 168.66 17.61 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 108.787 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -60.58 -35.16 75.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 119.873 -1.767 . . . . 0.0 110.725 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.75 -50.71 68.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.865 1.666 . . . . 0.0 111.077 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -54.82 -51.72 64.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.256 1.422 . . . . 0.0 113.948 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -54.98 -54.27 45.07 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.309 1.844 . . . . 0.0 111.591 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.29 -42.58 92.98 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.695 -1.253 . . . . 0.0 109.384 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -76.43 -20.69 56.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.782 1.233 . . . . 0.0 110.724 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tt -76.96 -52.31 9.62 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.3 mm -77.53 -11.04 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 CA-C-O 122.745 1.259 . . . . 0.0 109.909 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.01 -39.65 79.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.054 -2.278 . . . . 0.0 111.408 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.75 -47.72 16.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.204 1.001 . . . . 0.0 111.771 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -129.76 96.61 4.28 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 122.269 1.033 . . . . 0.0 109.249 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -76.66 -41.14 46.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -45.77 -42.24 11.8 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 128.785 2.834 . . . . 0.0 116.793 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.56 -46.97 44.52 Favored Glycine 0 N--CA 1.429 -1.801 0 O-C-N 120.492 -1.38 . . . . 0.0 112.707 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -64.62 -50.24 67.91 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.857 1.263 . . . . 0.0 112.116 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -63.57 -28.2 69.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.37 -55.71 17.01 Favored Glycine 0 N--CA 1.429 -1.806 0 O-C-N 120.539 -1.35 . . . . 0.0 112.716 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.252 34.2 m -69.03 -42.47 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 121.886 -0.773 . . . . 0.0 112.974 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.01 -46.85 84.6 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.792 -1.193 . . . . 0.0 113.049 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.36 -35.71 61.08 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.768 -1.208 . . . . 0.0 113.663 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HA ' ' A' ' 20' ' ' LYS . 7.4 t80 -64.14 -48.65 75.23 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.951 -1.093 . . . . 0.0 111.189 172.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.7 -27.17 62.85 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.26 -1.525 . . . . 0.0 114.156 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.97 -49.44 60.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.388 -1.445 . . . . 0.0 114.219 166.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.9 mtp -95.19 -6.02 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.581 1.152 . . . . 0.0 113.096 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -108.72 -76.38 0.61 Allowed 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 120.977 1.717 . . . . 0.0 107.223 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 t -158.73 122.69 3.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 117.641 -1.624 . . . . 0.0 111.243 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -89.64 153.66 20.57 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 123.741 1.734 . . . . 0.0 112.288 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? . . . . . 0 N--CA 1.429 -1.482 0 C-N-CA 126.357 1.863 . . . . 0.0 109.027 -159.579 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 122.821 1.296 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -98.91 147.15 25.25 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.177 1.391 . . . . 0.0 107.757 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -77.75 -17.77 57.21 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.16 -1.587 . . . . 0.0 112.11 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.06 -63.55 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 125.524 1.53 . . . . 0.0 113.771 163.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.36 -63.09 0.59 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.168 1.787 . . . . 0.0 115.579 167.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 m -51.33 -55.29 19.22 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.711 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -75.36 -40.49 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.195 -1.565 . . . . 0.0 109.454 -168.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -60.74 -41.19 94.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.844 -1.785 . . . . 0.0 115.248 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.55 -42.64 34.08 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 164.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.03 -53.71 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.428 1.091 . . . . 0.0 110.192 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.04 -58.45 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.614 2.365 . . . . 0.0 112.766 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -48.21 -69.62 0.12 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.421 -2.049 . . . . 0.0 114.191 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.66 -27.35 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.69 33.5 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.362 -1.461 . . . . 0.0 113.31 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -58.76 -44.97 90.74 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.292 2.237 . . . . 0.0 111.87 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.54 -37.53 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.342 2.257 . . . . 0.0 113.357 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.38 -57.68 3.74 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.582 1.153 . . . . 0.0 112.039 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 19.2 pt -66.87 -20.9 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -172.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -48.7 -67.75 0.24 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.149 2.179 . . . . 0.0 115.379 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -115.12 22.63 13.18 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.582 -1.323 . . . . 0.0 113.54 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.4 p -110.04 -81.57 0.58 Allowed 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.431 -2.043 . . . . 0.0 114.247 167.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? 178.93 144.09 0.13 Allowed 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 129.883 3.273 . . . . 0.0 102.852 -158.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -91.56 3.43 55.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.695 3.198 . . . . 0.0 113.816 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.71 -42.89 98.14 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.988 2.328 . . . . 0.0 111.959 -156.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.58 -62.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 131.181 3.793 . . . . 0.0 112.943 172.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.269 2.5 p -63.33 -31.8 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -52.96 -58.85 5.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.769 1.228 . . . . 0.0 112.498 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -100.13 84.23 2.81 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.393 -1.442 . . . . 0.0 109.809 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -26.67 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 120.863 3.653 . . . . 0.0 120.863 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.74 60.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.61 1.964 . . . . 0.0 112.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.45 -5.8 59.07 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 129.081 2.952 . . . . 0.0 110.499 169.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -87.96 -60.92 1.84 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.127 -2.233 . . . . 0.0 107.3 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' H ' HG13 ' A' ' 34' ' ' ILE . 78.5 mt -30.6 -48.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 129.714 3.205 . . . . 0.0 116.263 162.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.88 -17.92 42.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -67.78 -35.4 78.61 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 116.704 -3.747 . . . . 0.0 112.814 156.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.54 -28.04 68.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.225 -2.797 . . . . 0.0 115.687 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -74.7 -21.71 59.24 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.489 1.516 . . . . 0.0 111.38 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -53.5 57.71 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.379 1.561 . . . . 0.0 111.253 172.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.21 -42.82 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.382 2.273 . . . . 0.0 112.745 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.73 39.41 2.95 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 126.888 2.185 . . . . 0.0 113.783 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.32 145.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 126.498 1.919 . . . . 0.0 108.002 159.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -142.12 -172.35 3.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 102.89 -3.004 . . . . 0.0 102.89 164.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -115.64 -137.49 0.36 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.654 -1.279 . . . . 0.0 108.219 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.64 120.72 6.0 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.815 -1.178 . . . . 0.0 113.426 145.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.14 -27.53 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 130.553 3.93 . . . . 0.0 122.185 167.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -139.27 172.4 12.89 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.765 1.269 . . . . 0.0 107.991 -171.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.26 167.1 0.98 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.491 1.916 . . . . 0.0 112.555 156.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.2 tp -76.47 121.04 22.53 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.211 1.404 . . . . 0.0 110.879 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -92.53 145.0 24.78 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.484 -2.01 . . . . 0.0 108.414 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -54.76 -34.04 62.05 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.801 1.64 . . . . 0.0 115.167 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.8 -32.61 73.82 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.071 2.548 . . . . 0.0 116.087 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.3 96.5 p -72.04 -6.31 41.41 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -164.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -25.38 -44.42 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.71 3.226 . . . . 0.0 119.71 149.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -49.02 -62.18 1.67 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.67 3.188 . . . . 0.0 111.059 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -62.53 -28.53 69.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -74.91 -63.34 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 123.467 2.849 . . . . 0.0 109.098 -168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.7 -26.61 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 128.939 2.896 . . . . 0.0 116.059 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.8 t -71.92 -39.18 69.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.892 -1.13 . . . . 0.0 109.942 173.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.83 -38.94 36.82 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.493 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.5 117.52 14.27 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 121.261 1.846 . . . . 0.0 109.506 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -66.17 -173.74 0.21 Allowed 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 126.291 1.836 . . . . 0.0 112.599 -177.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' H ' HG22 ' A' ' 62' ' ' THR . 80.6 mt-30 -63.15 -33.49 75.58 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 117.285 -3.384 . . . . 0.0 112.668 162.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.78 -58.52 7.51 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.578 2.351 . . . . 0.0 114.431 171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.59 -37.03 84.06 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.724 1.609 . . . . 0.0 111.056 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -48.28 -61.8 1.81 Allowed 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 126.417 1.887 . . . . 0.0 112.41 164.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -67.16 -34.35 77.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.211 -1.555 . . . . 0.0 109.963 -172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.8 m -71.04 -44.69 65.28 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.831 1.652 . . . . 0.0 111.883 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -42.21 -58.42 2.16 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.299 2.239 . . . . 0.0 114.671 165.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.71 -42.35 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 129.161 2.984 . . . . 0.0 113.454 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.1 -49.37 77.93 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.228 -2.17 . . . . 0.0 112.813 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.18 -42.44 37.62 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 121.074 -1.016 . . . . 0.0 113.363 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -146.66 88.73 1.78 Allowed 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.979 -1.076 . . . . 0.0 109.98 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -77.07 -35.66 56.45 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.644 -1.91 . . . . 0.0 114.21 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -52.71 -35.67 56.1 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.894 2.477 . . . . 0.0 116.723 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.52 -63.44 4.48 Favored Glycine 0 N--CA 1.431 -1.685 0 O-C-N 120.704 -1.247 . . . . 0.0 113.529 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.58 -51.36 68.88 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 125.811 1.644 . . . . 0.0 113.857 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -78.92 -21.0 47.97 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.218 -2.176 . . . . 0.0 113.986 -169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.35 -42.51 49.18 Favored Glycine 0 N--CA 1.43 -1.758 0 O-C-N 120.329 -1.482 . . . . 0.0 112.898 167.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -68.35 -29.21 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 121.389 -1.065 . . . . 0.0 112.241 175.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.0 -43.56 73.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.389 1.476 . . . . 0.0 113.442 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -63.05 -38.59 91.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.082 -1.636 . . . . 0.0 113.964 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.6 t80 -59.87 -46.09 90.41 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.505 -1.372 . . . . 0.0 110.743 170.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.21 -33.61 72.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.645 -1.91 . . . . 0.0 114.55 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -65.5 -37.87 88.07 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.296 -1.503 . . . . 0.0 111.26 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.5 tpt -95.39 -37.3 11.01 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.255 1.822 . . . . 0.0 114.487 -169.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -96.72 -78.17 0.47 Allowed 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.203 -1.561 . . . . 0.0 109.844 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.4 t -158.78 121.01 3.57 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 115.173 -2.611 . . . . 0.0 109.646 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -109.66 138.36 46.14 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 mttm . . . . . 0 N--CA 1.43 -1.461 0 O-C-N 119.256 -2.152 . . . . 0.0 106.702 167.477 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 121.604 0.716 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -88.67 153.07 21.4 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 120.969 -1.082 . . . . 0.0 112.062 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -56.3 -36.41 68.63 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.06 -1.65 . . . . 0.0 112.304 167.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.73 -51.22 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.16 2.184 . . . . 0.0 111.289 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.41 -65.81 0.38 Allowed 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 129.13 2.972 . . . . 0.0 115.393 160.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 m -53.48 -51.51 62.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.826 1.648 . . . . 0.0 112.665 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.35 -45.63 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -60.85 -43.3 98.52 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 121.434 1.925 . . . . 0.0 113.259 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.96 -43.06 91.26 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.679 2.792 . . . . 0.0 115.196 170.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.11 -51.03 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 120.113 1.324 . . . . 0.0 112.51 171.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.6 -48.72 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 126.902 2.081 . . . . 0.0 112.903 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 m -57.32 -50.15 73.86 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.819 1.647 . . . . 0.0 112.73 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.27 -39.44 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 O-C-N 120.995 -1.066 . . . . 0.0 111.274 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.02 51.58 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 172.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -63.81 -38.89 92.78 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.258 1.023 . . . . 0.0 112.089 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.0 mt -58.6 -40.54 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 123.532 0.733 . . . . 0.0 112.274 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.41 -52.63 6.71 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 119.526 1.057 . . . . 0.0 112.216 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.683 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 27.1 pt -69.03 -29.9 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 119.128 -2.233 . . . . 0.0 116.443 -169.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -46.18 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 166.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.91 80.75 1.47 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 121.393 1.906 . . . . 0.0 112.868 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -166.8 -79.22 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.734 -1.229 . . . . 0.0 111.291 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.96 126.95 13.62 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.461 1.904 . . . . 0.0 109.911 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -89.05 -23.98 22.43 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.512 -1.368 . . . . 0.0 110.872 165.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -41.29 -1.59 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.422 1 C-N-CA 132.047 4.139 . . . . 0.0 119.496 151.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 33' ' ' PHE . 2.4 mt -92.66 -56.41 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.438 -2.039 . . . . 0.0 109.254 165.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 33' ' ' PHE 0.272 0.8 OUTLIER -55.97 -22.14 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 -175.977 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -41.33 -36.84 0.88 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 169.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -127.95 119.26 25.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.017 1.327 . . . . 0.0 108.478 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -30.55 -63.89 0.14 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 120.309 3.448 . . . . 0.0 120.309 166.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -25.16 67.77 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.312 -2.117 . . . . 0.0 115.236 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -74.72 -35.29 62.67 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.534 1.534 . . . . 0.0 109.384 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.446 ' HA ' HG22 ' A' ' 26' ' ' ILE . 9.2 t80 -68.55 -51.9 37.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 124.627 1.171 . . . . 0.0 109.465 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.63 -51.59 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.708 2.003 . . . . 0.0 112.505 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.37 -22.26 61.91 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -85.75 -17.52 35.62 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 119.512 1.051 . . . . 0.0 110.721 173.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.82 -31.09 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.769 2.028 . . . . 0.0 110.847 172.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.83 -39.75 94.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 118.579 -2.576 . . . . 0.0 114.624 168.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -33.48 -52.37 0.39 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 129.055 2.942 . . . . 0.0 116.256 166.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 40' ' ' ILE . 3.8 mt -50.08 -34.98 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 130.336 3.455 . . . . 0.0 115.549 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.29 43.44 0.84 Allowed Glycine 0 N--CA 1.43 -1.75 0 O-C-N 120.794 -1.191 . . . . 0.0 110.66 -172.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 37' ' ' LEU . 44.9 t -107.79 113.46 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -127.32 157.39 40.03 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 121.468 1.94 . . . . 0.0 109.556 -168.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CG ' ' H ' ' A' ' 45' ' ' GLU 0.427 6.7 p-80 -111.55 -121.33 0.28 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.571 -1.33 . . . . 0.0 109.326 167.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' ' CG ' ' A' ' 44' ' ' HIS . 33.6 mt-10 -98.85 70.69 1.87 Allowed 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.163 -2.211 . . . . 0.0 108.567 -157.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 -3.47 11.84 Favored Glycine 0 N--CA 1.43 -1.708 0 O-C-N 120.035 -1.665 . . . . 0.0 116.015 -167.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -126.52 155.85 41.71 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.361 1.065 . . . . 0.0 109.284 -168.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.78 159.61 24.85 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.539 -1.351 . . . . 0.0 110.998 169.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -84.85 128.41 34.6 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 120.451 -1.406 . . . . 0.0 109.727 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.53 158.72 16.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.458 1.103 . . . . 0.0 109.993 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -73.2 -10.56 59.9 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.504 -1.372 . . . . 0.0 114.532 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -74.83 -43.15 56.13 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 111.549 171.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 m -71.06 5.27 2.15 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.224 1.809 . . . . 0.0 115.698 -174.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.07 -21.84 66.88 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.2 -1.563 . . . . 0.0 112.45 163.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -57.26 -53.75 54.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.187 -1.571 . . . . 0.0 112.604 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.4 -26.32 65.04 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 127.308 2.243 . . . . 0.0 115.887 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.66 -67.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 125.183 1.393 . . . . 0.0 111.654 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.72 -12.87 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.748 -1.22 . . . . 0.0 112.818 -157.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -72.19 -19.01 61.81 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 118.966 -2.334 . . . . 0.0 111.928 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -91.48 -17.1 26.25 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.725 . . . . 0.0 111.103 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.78 129.53 34.81 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.122 1.369 . . . . 0.0 110.23 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 63' ' ' GLN . 7.1 m -125.66 -166.58 1.57 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.208 -1.557 . . . . 0.0 107.754 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.716 ' H ' HG22 ' A' ' 62' ' ' THR . 54.2 mm-40 -77.96 -41.59 35.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 118.754 -2.466 . . . . 0.0 112.897 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -51.93 -47.49 64.66 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 124.71 2.195 . . . . 0.0 114.403 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.21 -26.4 35.95 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.291 1.837 . . . . 0.0 112.531 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -53.36 -53.17 55.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.642 1.977 . . . . 0.0 112.816 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -80.34 -30.24 38.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.124 1.77 . . . . 0.0 111.358 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.8 m -53.51 -44.02 68.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.973 1.709 . . . . 0.0 113.362 169.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.76 -57.82 7.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.657 1.983 . . . . 0.0 111.802 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mm -49.93 -52.49 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 128.924 2.89 . . . . 0.0 113.586 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -51.93 -42.12 62.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.36 1.464 . . . . 0.0 114.633 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.33 -47.43 42.54 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.983 -1.073 . . . . 0.0 113.618 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -150.52 98.22 2.61 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.7 -1.25 . . . . 0.0 111.635 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -78.43 -41.49 32.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.744 1.218 . . . . 0.0 113.67 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.85 -41.99 11.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 128.56 2.744 . . . . 0.0 117.992 -168.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.05 25.23 Favored Glycine 0 N--CA 1.43 -1.711 0 O-C-N 120.232 -1.543 . . . . 0.0 113.598 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.82 -43.61 98.35 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.204 1.801 . . . . 0.0 111.55 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.16 -49.83 72.77 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.518 1.927 . . . . 0.0 112.523 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.46 -54.73 19.36 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 125.969 1.747 . . . . 0.0 114.788 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.93 -17.13 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.182 -1.775 . . . . 0.0 114.088 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -67.45 -39.49 85.35 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.668 -1.895 . . . . 0.0 111.328 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -67.22 -31.36 71.69 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.471 -2.018 . . . . 0.0 113.234 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.683 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 6.4 t80 -64.4 -43.95 92.82 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.271 -1.518 . . . . 0.0 111.764 167.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.88 -44.68 82.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 127.569 2.348 . . . . 0.0 112.706 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.65 -46.06 91.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 111.701 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.5 mmm -69.67 -46.21 66.62 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -95.99 -74.17 0.57 Allowed 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.097 -1.627 . . . . 0.0 115.36 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t -164.09 126.01 2.35 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 116.968 -1.893 . . . . 0.0 112.965 -160.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -111.15 125.09 53.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.921 -1.737 . . . . 0.0 107.063 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? . . . . . 0 N--CA 1.43 -1.446 0 O-C-N 120.525 -1.36 . . . . 0.0 109.413 -171.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 N--CA 1.429 -1.493 0 CA-C-O 121.99 0.9 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.43 149.31 26.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.348 1.459 . . . . 0.0 111.771 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.8 -34.93 73.68 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.321 -1.487 . . . . 0.0 113.61 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 69' ' ' LEU . 11.9 mt -61.35 -61.16 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.301 2.24 . . . . 0.0 113.743 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -45.76 -52.21 11.44 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 127.714 2.405 . . . . 0.0 114.924 161.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.8 m -51.41 -44.47 62.25 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.245 -2.159 . . . . 0.0 115.425 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -82.12 -33.84 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 120.643 -1.286 . . . . 0.0 110.504 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -56.25 -46.6 79.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 119.574 -1.953 . . . . 0.0 113.363 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.51 -50.17 72.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.983 2.113 . . . . 0.0 113.516 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -53.86 -53.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 125.317 1.447 . . . . 0.0 112.736 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.29 -42.65 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.007 1.723 . . . . 0.0 113.149 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 m -60.3 -54.83 41.01 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.152 1.381 . . . . 0.0 111.85 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.9 t -69.37 -41.71 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.868 -1.145 . . . . 0.0 111.772 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -28.81 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -81.8 -38.81 24.98 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.826 -1.796 . . . . 0.0 111.811 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -41.08 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.55 1.54 . . . . 0.0 112.209 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -43.23 -60.72 1.57 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.036 2.134 . . . . 0.0 116.585 165.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 19' ' ' ILE . 27.5 pt -83.19 -52.21 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -28.98 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 128.262 2.625 . . . . 0.0 116.026 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -104.84 17.74 23.59 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 122.46 2.391 . . . . 0.0 111.272 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -123.54 -75.99 0.59 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.059 -1.651 . . . . 0.0 114.102 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -142.6 107.19 4.82 Favored 'General case' 0 N--CA 1.431 -1.395 0 O-C-N 120.461 -1.4 . . . . 0.0 113.862 -165.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -87.54 -24.0 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.151 -2.218 . . . . 0.0 112.109 171.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.25 7.8 p-10 -42.05 -0.2 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 130.505 3.522 . . . . 0.0 118.945 151.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mm -100.55 -56.54 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 O-C-N 119.608 -1.932 . . . . 0.0 110.089 165.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -56.16 -18.38 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 117.47 2.396 . . . . 0.0 117.47 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -49.12 -30.23 6.34 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 168.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -136.17 109.55 7.88 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.768 1.627 . . . . 0.0 107.054 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.41 -28.26 68.49 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.5 73.16 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 124.695 3.407 . . . . 0.0 116.212 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.34 -53.77 43.54 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.856 1.262 . . . . 0.0 111.281 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -45.07 -54.91 6.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.494 1.918 . . . . 0.0 115.41 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -55.16 -53.76 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 127.084 2.154 . . . . 0.0 112.517 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.13 68.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.97 -27.04 36.13 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.234 1.014 . . . . 0.0 110.865 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.4 -23.55 34.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.543 -1.348 . . . . 0.0 112.288 171.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.14 -35.35 74.01 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 118.199 -2.813 . . . . 0.0 113.656 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -34.12 -45.33 0.2 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 160.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mm -49.81 -34.26 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.72 2.808 . . . . 0.0 114.193 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.84 21.33 7.16 Favored Glycine 0 N--CA 1.431 -1.7 0 C-N-CA 125.921 1.724 . . . . 0.0 111.624 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -77.11 98.04 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 124.659 1.184 . . . . 0.0 108.409 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.2 145.61 48.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.27 -1.519 . . . . 0.0 111.574 -162.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.534 ' HE1' ' O ' ' A' ' 48' ' ' LYS 0.456 12.8 p-80 -109.69 -119.36 0.28 Allowed 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 117.207 -1.378 . . . . 0.0 108.593 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' OE1' ' CD2' ' A' ' 44' ' ' HIS . 3.3 mp0 -105.63 75.04 1.11 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 124.285 3.221 . . . . 0.0 107.138 -167.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.04 -11.77 40.7 Favored Glycine 0 N--CA 1.43 -1.766 0 N-CA-C 118.322 2.089 . . . . 0.0 118.322 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -135.37 152.13 51.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 118.97 1.385 . . . . 0.0 110.056 -157.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 33.2 mmtp -73.91 161.79 29.75 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.301 -1.499 . . . . 0.0 112.458 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.65 124.18 31.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.33 -2.106 . . . . 0.0 111.137 -173.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.51 144.78 32.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.106 1.762 . . . . 0.0 108.629 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.28 -27.32 64.32 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 119.801 -1.812 . . . . 0.0 113.404 -155.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.56 -20.72 63.59 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 128.909 2.884 . . . . 0.0 113.209 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -75.89 8.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -59.23 -32.78 70.28 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.89 -2.381 . . . . 0.0 114.328 165.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -62.01 -39.6 92.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.221 173.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.78 -35.83 81.88 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.518 1.927 . . . . 0.0 113.665 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -57.23 -63.92 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.251 1.02 . . . . 0.0 111.046 168.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.16 -24.05 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 121.219 -0.926 . . . . 0.0 111.377 -151.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.5 p -74.38 -37.86 63.32 Favored 'General case' 0 N--CA 1.429 -1.52 0 O-C-N 120.977 -1.077 . . . . 0.0 111.966 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -35.69 80.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.035 1.334 . . . . 0.0 113.373 177.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 131.93 45.81 Favored 'General case' 0 N--CA 1.431 -1.389 0 O-C-N 121.157 -0.965 . . . . 0.0 111.573 170.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.62 -178.89 3.81 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.713 -1.867 . . . . 0.0 106.276 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -53.83 -40.27 66.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.418 -1.426 . . . . 0.0 113.121 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -50.87 -53.61 30.93 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 124.574 2.131 . . . . 0.0 113.78 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.31 -46.11 64.9 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 129.947 3.299 . . . . 0.0 112.124 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -44.85 -53.59 7.34 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.03 2.532 . . . . 0.0 112.62 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.257 0.2 OUTLIER -73.21 -38.94 65.92 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.56 1.544 . . . . 0.0 110.229 176.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.3 m -54.18 -46.09 72.27 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 121.892 2.133 . . . . 0.0 114.063 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.9 pp -85.34 -22.01 28.67 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.59 -1.319 . . . . 0.0 113.072 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.59 -53.17 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 120.634 -1.291 . . . . 0.0 110.884 160.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.72 -58.37 4.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 129.191 2.996 . . . . 0.0 116.83 173.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -64.24 -36.23 83.41 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.339 0.2 OUTLIER -132.18 83.43 2.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 123.345 1.545 . . . . 0.0 111.698 172.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -62.39 -43.14 99.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.23 1.812 . . . . 0.0 113.425 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.63 -14.56 63.1 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.75 -53.88 17.69 Favored Glycine 0 N--CA 1.43 -1.729 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.63 -46.47 70.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.82 1.648 . . . . 0.0 112.372 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -54.56 -51.64 64.59 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.18 -28.95 57.38 Favored Glycine 0 N--CA 1.43 -1.72 0 O-C-N 119.486 -2.009 . . . . 0.0 114.841 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.42 3.8 p -75.51 -41.9 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.341 -0.929 . . . . 0.0 113.021 174.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.17 -41.37 86.08 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.045 -1.66 . . . . 0.0 112.201 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -55.09 -51.89 64.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.738 -1.226 . . . . 0.0 113.405 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -43.42 81.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.738 -1.226 . . . . 0.0 112.129 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -54.22 -41.28 68.52 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.001 -2.312 . . . . 0.0 115.316 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.12 -44.18 96.35 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 124.894 1.278 . . . . 0.0 112.546 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.3 mtt -60.6 -62.68 1.69 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.417 14.2 p90 -75.94 -73.6 0.26 Allowed 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.561 -1.337 . . . . 0.0 113.92 -168.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -159.65 130.51 5.85 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 122.136 2.244 . . . . 0.0 112.255 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.93 150.97 29.75 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.869 1.668 . . . . 0.0 110.281 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.417 0 O-C-N 120.958 -1.089 . . . . 0.0 108.115 -174.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -127.75 -172.7 2.74 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.136 -1.603 . . . . 0.0 108.445 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.31 -32.62 17.26 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.887 -1.758 . . . . 0.0 109.264 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.95 -48.96 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.51 0 C-N-CA 127.926 2.49 . . . . 0.0 111.256 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.31 -53.14 5.41 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.619 1.968 . . . . 0.0 115.436 158.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -52.2 -67.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 122.354 2.343 . . . . 0.0 113.021 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.451 HG21 HD11 ' A' ' 61' ' ' LEU . 58.9 t -56.88 -37.64 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 117.042 2.238 . . . . 0.0 117.042 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -67.09 -33.01 74.56 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.622 -1.924 . . . . 0.0 113.898 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -62.84 -53.26 56.97 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.898 2.079 . . . . 0.0 112.187 169.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -42.47 -54.78 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.324 15.1 tt -68.86 -49.12 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.748 2.819 . . . . 0.0 112.357 -175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m -65.61 -48.29 72.78 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.933 -1.73 . . . . 0.0 113.783 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.49 -47.37 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.157 1.383 . . . . 0.0 111.229 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.25 24.72 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 168.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -66.32 -42.46 88.19 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.339 1.456 . . . . 0.0 110.005 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.92 -39.4 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 C-N-CA 124.725 1.21 . . . . 0.0 112.927 172.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -87.21 -46.37 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 120.763 1.619 . . . . 0.0 113.549 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 31.4 pt -71.89 -23.15 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-N 123.387 2.812 . . . . 0.0 117.614 -168.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -67.24 -55.39 14.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.736 -1.227 . . . . 0.0 111.164 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -115.92 80.2 1.41 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.516 2.326 . . . . 0.0 111.967 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -173.37 -94.93 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.75 1.22 . . . . 0.0 109.786 161.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -130.88 139.08 50.08 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.532 1.933 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 -23.18 22.62 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.628 1.104 . . . . 0.0 110.675 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -40.13 -40.72 1.14 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -42.27 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 118.587 -2.571 . . . . 0.0 112.356 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.331 0.5 OUTLIER -73.61 -41.52 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.056 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 121.278 3.807 . . . . 0.0 121.278 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -148.21 88.23 1.64 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 168.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -27.2 -38.07 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 120.479 3.511 . . . . 0.0 120.479 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.75 -44.2 2.15 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 168.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.48 -50.85 27.49 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 128.523 2.729 . . . . 0.0 113.531 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -43.72 -46.59 7.59 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 166.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -53.56 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.197 2.199 . . . . 0.0 107.518 -173.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -19.22 63.46 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 39' ' ' GLU . 16.8 t80 -80.84 -12.23 59.46 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 123.162 2.71 . . . . 0.0 111.568 168.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.23 -25.44 39.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.999 -1.063 . . . . 0.0 113.018 161.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -63.74 -42.81 97.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.096 -2.253 . . . . 0.0 112.233 165.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 36' ' ' PHE . 2.3 tt0 -41.17 -50.16 3.53 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 162.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mt -55.49 -40.44 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 13.88 21.56 Favored Glycine 0 N--CA 1.429 -1.804 0 N-CA-C 116.189 1.236 . . . . 0.0 116.189 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.3 1.0 OUTLIER -56.87 108.5 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-O 124.573 2.13 . . . . 0.0 114.269 167.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.1 p -109.07 144.19 37.42 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.598 2.142 . . . . 0.0 112.811 168.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -108.15 -164.53 0.97 Allowed 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.313 3.045 . . . . 0.0 106.062 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.56 111.71 0.63 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 120.956 1.707 . . . . 0.0 114.847 -171.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.52 -7.66 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 129.484 3.421 . . . . 0.0 120.792 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -141.15 153.22 45.26 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 120.423 2.111 . . . . 0.0 112.091 -158.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -51.41 142.09 14.24 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.729 -1.857 . . . . 0.0 114.724 164.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.58 112.75 8.92 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 118.975 -2.328 . . . . 0.0 112.565 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.34 171.0 15.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.941 1.696 . . . . 0.0 113.92 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.79 -43.61 68.32 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.588 2.137 . . . . 0.0 109.535 -170.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -74.32 -8.64 56.94 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 130.921 3.688 . . . . 0.0 113.795 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -67.97 -2.32 7.34 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.289 -1.507 . . . . 0.0 113.629 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.28 -23.88 59.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.316 1.446 . . . . 0.0 111.309 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -54.55 44.86 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.459 -2.026 . . . . 0.0 113.779 168.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -44.96 -54.83 6.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 128.252 2.621 . . . . 0.0 116.486 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.259 21.0 mm -42.89 -69.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.221 2.608 . . . . 0.0 111.495 163.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 p -71.18 -28.29 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 123.779 2.99 . . . . 0.0 111.88 -161.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -72.68 -51.84 17.7 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.911 -1.743 . . . . 0.0 113.507 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.36 -36.19 2.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 167.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD11 HG21 ' A' ' 8' ' ' VAL . 75.7 mt -83.42 103.49 12.83 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 125.986 1.714 . . . . 0.0 113.437 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.0 p -94.4 -158.7 0.65 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.908 -1.745 . . . . 0.0 111.347 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.58 -34.8 78.62 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.231 -1.543 . . . . 0.0 110.781 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -49.19 -46.86 46.16 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.843 2.057 . . . . 0.0 114.489 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -55.56 18.19 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.519 1.128 . . . . 0.0 109.609 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -53.74 -53.94 45.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 124.719 2.2 . . . . 0.0 110.694 -152.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -80.55 -28.74 37.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 130.158 3.383 . . . . 0.0 110.659 -174.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.8 m -61.24 -49.43 77.13 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 121.328 1.876 . . . . 0.0 112.306 170.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.07 -61.33 2.1 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.199 1.8 . . . . 0.0 113.823 -167.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -22.4 -56.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 129.115 2.966 . . . . 0.0 117.976 142.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.23 -44.07 66.06 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 124.602 3.364 . . . . 0.0 113.114 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.98 -45.62 66.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.189 1.396 . . . . 0.0 113.597 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -134.22 99.68 4.47 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.529 -1.357 . . . . 0.0 109.138 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.28 -41.94 47.17 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 110.33 -172.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.44 -36.82 71.89 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 127.816 2.446 . . . . 0.0 116.143 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -44.08 98.3 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 113.025 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.16 -52.66 38.79 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.356 1.062 . . . . 0.0 111.079 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -48.43 -53.1 19.07 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 127.588 2.355 . . . . 0.0 114.489 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.6 -35.99 92.76 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 116.426 1.33 . . . . 0.0 116.426 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.96 -30.75 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 119.522 1.661 . . . . 0.0 111.811 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.52 -46.13 89.75 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.046 1.738 . . . . 0.0 112.407 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -67.06 -44.93 78.86 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.781 1.232 . . . . 0.0 113.591 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 17.1 t80 -59.26 -56.86 16.72 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 124.614 1.166 . . . . 0.0 112.238 176.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.13 -32.04 73.46 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.545 -1.347 . . . . 0.0 114.032 -169.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.78 -43.27 76.05 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 123.99 0.916 . . . . 0.0 112.177 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.0 mtt -78.22 -39.28 40.95 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 113.509 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -78.15 -71.96 0.4 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.442 -1.412 . . . . 0.0 113.665 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.322 3.5 t -144.2 -53.43 0.33 Allowed 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 116.047 -2.261 . . . . 0.0 116.735 -147.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -113.75 99.35 7.64 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.182 -1.574 . . . . 0.0 110.583 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 N--CA 1.43 -1.456 0 O-C-N 120.495 -1.378 . . . . 0.0 110.203 173.413 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.5 m120 . . . . . 0 N--CA 1.43 -1.439 0 CA-C-O 122.577 1.18 . . . . 0.0 108.08 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -123.07 91.74 3.55 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 124.61 1.164 . . . . 0.0 108.847 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -72.34 -28.75 63.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.534 -1.354 . . . . 0.0 113.05 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 tt -73.62 -25.1 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 121.237 1.835 . . . . 0.0 113.722 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.41 -28.44 62.97 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 118.375 -2.703 . . . . 0.0 113.985 164.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.466 HG23 ' CE1' ' A' ' 44' ' ' HIS . 20.5 m -61.8 -44.51 96.72 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 117.215 -3.428 . . . . 0.0 113.263 167.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 11' ' ' ILE . 92.5 t -70.44 -52.9 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 129.703 3.201 . . . . 0.0 116.693 -177.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -57.36 -36.57 71.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.556 -1.965 . . . . 0.0 113.909 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 7.9 mt-10 -60.76 -35.16 75.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 164.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 8' ' ' VAL . 13.2 mm -67.68 -41.49 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 CA-C-N 122.834 2.561 . . . . 0.0 110.309 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.76 -41.85 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 121.08 -1.012 . . . . 0.0 109.611 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -66.58 -59.04 3.98 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.019 1.328 . . . . 0.0 112.426 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.97 -39.74 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 C-N-CA 124.778 1.231 . . . . 0.0 112.827 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.21 67.81 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.136 -1.603 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -64.24 -52.98 56.09 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.118 -0.989 . . . . 0.0 111.265 170.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.1 mt -42.25 -51.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 127.348 2.259 . . . . 0.0 113.936 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -70.62 -34.85 72.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.181 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 83' ' ' TYR . 12.1 pt -79.91 -48.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 122.467 2.394 . . . . 0.0 114.327 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -30.62 -74.28 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.973 2.909 . . . . 0.0 117.189 169.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -114.74 18.29 16.66 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.377 -1.452 . . . . 0.0 114.219 -175.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -133.34 -94.26 0.32 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.576 -1.327 . . . . 0.0 112.942 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -136.85 116.48 12.94 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 -167.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.03 -36.33 56.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.372 -2.08 . . . . 0.0 113.879 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.88 -30.5 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 129.582 3.153 . . . . 0.0 118.38 162.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -21.06 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 CA-C-N 124.929 3.513 . . . . 0.0 114.109 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.8 -22.49 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 120.862 -1.149 . . . . 0.0 113.817 -174.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.42 -7.05 12.11 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -173.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -148.38 116.02 6.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.333 1.053 . . . . 0.0 110.025 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -26.26 -65.24 0.06 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.87 2.868 . . . . 0.0 116.345 168.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.04 66.92 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 124.975 3.534 . . . . 0.0 118.049 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.34 -20.5 28.21 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.648 -1.282 . . . . 0.0 110.442 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -80.02 -44.8 19.52 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.038 1.335 . . . . 0.0 108.236 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -49.59 -54.01 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 126.592 1.957 . . . . 0.0 111.779 164.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.16 22.59 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 18' ' ' LEU . 36.9 t80 -75.77 -29.28 58.74 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.951 -2.343 . . . . 0.0 110.835 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.97 -14.64 60.23 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.307 1.843 . . . . 0.0 110.605 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -21.47 27.87 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.063 -2.273 . . . . 0.0 108.275 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.87 -53.35 33.17 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.083 1.753 . . . . 0.0 112.487 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.88 -34.85 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 126.25 1.82 . . . . 0.0 115.79 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.02 42.44 1.94 Allowed Glycine 0 N--CA 1.429 -1.818 0 O-C-N 120.937 -1.102 . . . . 0.0 114.211 -175.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 112.07 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 O-C-N 121.618 -0.93 . . . . 0.0 111.776 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -120.42 149.31 42.56 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.059 -1.651 . . . . 0.0 107.667 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' A' ' 7' ' ' THR . 27.3 m80 -133.15 -119.81 0.19 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.997 -1.689 . . . . 0.0 110.086 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.93 58.79 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.756 2.422 . . . . 0.0 116.857 -174.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.05 -27.4 8.31 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 126.858 2.17 . . . . 0.0 113.55 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -124.35 -168.73 1.85 Allowed 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 119.165 1.482 . . . . 0.0 112.534 -167.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -81.22 169.25 17.57 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.324 1.85 . . . . 0.0 107.698 166.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.82 108.49 19.17 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.852 -1.78 . . . . 0.0 110.24 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -108.38 136.03 48.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.24 1.416 . . . . 0.0 110.365 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -76.7 -14.44 59.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.337 -2.102 . . . . 0.0 115.181 -160.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -75.19 -16.47 60.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.568 -1.333 . . . . 0.0 111.846 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 m -88.37 8.88 25.5 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.261 1.425 . . . . 0.0 112.208 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.32 -29.39 70.47 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.468 -2.02 . . . . 0.0 112.264 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -39.79 -46.56 1.95 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.116 -2.24 . . . . 0.0 116.86 157.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -83.25 -19.17 36.86 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.515 -1.365 . . . . 0.0 111.281 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.48 -75.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 C-N-CA 124.276 1.03 . . . . 0.0 109.192 163.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.1 -10.35 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 O-C-N 118.842 -2.411 . . . . 0.0 114.397 -164.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 m -90.65 -23.33 20.8 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.39 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -97.51 -15.95 20.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 122.915 2.598 . . . . 0.0 114.565 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 8' ' ' VAL . 90.7 mt -63.89 137.01 57.84 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.448 1.099 . . . . 0.0 110.975 159.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 p -102.34 -168.4 1.53 Allowed 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -55.15 -53.31 57.56 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.533 -1.98 . . . . 0.0 115.37 159.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.34 -26.05 65.41 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.071 2.669 . . . . 0.0 113.212 -158.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.01 -44.83 94.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 128.338 2.655 . . . . 0.0 111.659 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.69 -56.67 17.2 Favored 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 124.929 1.292 . . . . 0.0 110.844 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.06 -45.83 68.27 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.5 m -41.16 -51.91 3.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 161.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.8 -26.77 18.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 120.724 -1.235 . . . . 0.0 113.336 -171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.3 mt -43.97 -71.05 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 O-C-N 119.19 -2.194 . . . . 0.0 114.206 151.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -46.55 -64.43 0.76 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.404 3.082 . . . . 0.0 117.431 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.6 -40.67 88.97 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.13 -1.606 . . . . 0.0 113.741 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.31 53.68 0.75 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.305 -1.497 . . . . 0.0 110.287 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.55 -40.11 77.04 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.532 1.533 . . . . 0.0 112.202 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.05 -27.64 69.25 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.028 -1.67 . . . . 0.0 113.907 172.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -38.08 62.29 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.013 1.292 . . . . 0.0 112.57 171.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.16 -42.68 99.0 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.364 1.466 . . . . 0.0 112.379 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.51 -59.68 4.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.998 1.319 . . . . 0.0 114.094 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.19 -30.68 55.3 Favored Glycine 0 N--CA 1.43 -1.742 0 C-N-CA 125.258 1.408 . . . . 0.0 116.615 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.305 3.5 p -87.16 -33.23 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 123.577 0.751 . . . . 0.0 112.104 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.3 -48.89 79.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.237 1.815 . . . . 0.0 112.99 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -60.98 -41.04 95.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.737 -1.227 . . . . 0.0 112.739 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' CE1' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -64.86 -40.57 95.35 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.061 -1.024 . . . . 0.0 111.948 172.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.29 -24.54 66.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.13 -2.231 . . . . 0.0 116.264 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.83 -39.08 70.01 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.366 -1.458 . . . . 0.0 112.385 166.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.8 mtp -57.79 -67.71 0.31 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.299 1.9 p90 -82.18 -75.74 0.29 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -161.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 t -167.35 160.65 13.6 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 122.576 2.444 . . . . 0.0 110.585 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -101.52 97.51 7.95 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.099 0.952 . . . . 0.0 109.441 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? . . . . . 0 N--CA 1.43 -1.453 0 O-C-N 120.391 -1.443 . . . . 0.0 110.965 171.451 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 N--CA 1.431 -1.403 0 CA-C-O 121.722 0.772 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.24 -176.93 0.16 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.426 2.29 . . . . 0.0 113.756 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.09 -21.22 27.78 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.198 -2.188 . . . . 0.0 108.818 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.31 -41.69 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 125.97 1.708 . . . . 0.0 108.249 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -55.03 -63.06 1.27 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.022 1.729 . . . . 0.0 111.992 165.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 m -42.16 -46.14 4.28 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.29 -36.59 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.54 -1.35 . . . . 0.0 110.619 -168.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -72.51 -18.67 61.63 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.965 -1.084 . . . . 0.0 111.982 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -66.17 -52.51 47.52 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.026 -1.671 . . . . 0.0 112.268 164.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.99 -52.48 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 O-C-N 120.726 -1.234 . . . . 0.0 112.935 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.29 -40.32 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.493 1.517 . . . . 0.0 112.665 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.4 m -65.87 -55.85 14.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.179 -1.576 . . . . 0.0 112.073 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.27 -43.54 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 120.2 -1.563 . . . . 0.0 111.72 -174.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.1 -43.69 51.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.587 1.555 . . . . 0.0 114.91 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -71.02 -38.15 72.6 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 124.52 1.128 . . . . 0.0 112.195 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.09 -31.37 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.02 1.728 . . . . 0.0 111.906 173.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.72 -60.24 2.54 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.303 1.441 . . . . 0.0 112.82 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -83.02 -19.89 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -163.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.45 -71.53 0.07 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.587 1.54 . . . . 0.0 114.106 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.58 63.6 0.61 Allowed 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.622 -1.299 . . . . 0.0 111.153 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 m -126.7 -94.59 0.46 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -146.65 144.92 29.83 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.346 1.858 . . . . 0.0 107.446 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.96 -13.27 39.34 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 121.097 1.771 . . . . 0.0 112.282 162.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.09 -38.25 37.65 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.372 2.269 . . . . 0.0 114.454 174.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 pt -67.17 -37.01 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 126.226 1.81 . . . . 0.0 114.105 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.02 -39.15 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.3 -1.5 . . . . 0.0 111.082 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -53.27 -38.78 63.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 127.721 2.408 . . . . 0.0 117.006 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -121.41 90.53 3.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 101.303 -3.591 . . . . 0.0 101.303 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -71.68 -13.38 61.72 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.028 -2.295 . . . . 0.0 115.042 -155.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.22 -54.83 1.76 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.17 1.788 . . . . 0.0 114.452 161.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -47.98 -44.43 30.51 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 120.319 3.452 . . . . 0.0 120.319 163.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.94 -37.38 72.85 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.989 2.516 . . . . 0.0 112.373 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.07 -38.58 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.72 80.76 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.12 -36.02 2.42 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 156.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.17 -22.92 41.44 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 123.969 3.077 . . . . 0.0 116.054 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.96 -55.94 25.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 119.011 -2.305 . . . . 0.0 113.859 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -37.91 -61.54 0.63 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.261 2.689 . . . . 0.0 118.261 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 40' ' ' ILE . 4.2 mt -48.33 -39.43 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 127.068 2.147 . . . . 0.0 114.088 176.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.41 36.03 2.75 Favored Glycine 0 N--CA 1.43 -1.754 0 C-N-CA 125.159 1.362 . . . . 0.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.41 113.69 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 120.888 -1.36 . . . . 0.0 112.586 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.9 p -113.22 154.22 27.09 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.036 -2.29 . . . . 0.0 113.715 -172.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 34.6 p-80 -109.98 -140.11 0.38 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 155.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.261 0.8 OUTLIER -67.82 89.23 0.27 Allowed 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 119.419 1.009 . . . . 0.0 112.19 -178.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.99 -25.57 2.58 Favored Glycine 0 N--CA 1.43 -1.757 0 C-N-CA 125.669 1.604 . . . . 0.0 117.102 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -121.94 158.81 28.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.656 -1.496 . . . . 0.0 109.63 -162.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 33.7 mmtm -71.89 172.81 9.24 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.11 -1.618 . . . . 0.0 111.531 176.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 tp -91.18 140.54 29.71 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 119.256 -2.153 . . . . 0.0 111.096 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -113.63 -171.44 1.89 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.544 1.938 . . . . 0.0 107.168 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -74.4 -51.97 13.45 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 123.453 1.597 . . . . 0.0 109.498 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -61.19 -31.57 71.32 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 130.286 3.434 . . . . 0.0 113.805 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -58.99 -3.04 0.29 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.81 -22.82 53.06 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.198 -1.564 . . . . 0.0 112.746 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -46.44 60.72 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.382 1.873 . . . . 0.0 113.084 161.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -56.86 -59.99 4.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 119.979 1.263 . . . . 0.0 112.877 171.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mm -40.24 -63.91 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 128.504 2.721 . . . . 0.0 114.426 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.01 -14.44 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.813 -1.805 . . . . 0.0 113.16 -170.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -65.1 -48.93 71.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.484 -1.385 . . . . 0.0 112.746 165.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -79.23 -13.11 59.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -172.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.8 120.66 29.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.231 1.412 . . . . 0.0 110.623 -174.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -105.36 -174.67 2.59 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 122.743 1.258 . . . . 0.0 111.405 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -55.51 -47.33 76.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.751 2.02 . . . . 0.0 114.046 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.22 -53.82 25.41 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.33 2.252 . . . . 0.0 115.767 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.21 -51.06 70.87 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.797 2.439 . . . . 0.0 111.116 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.93 -38.14 90.0 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-O 122.364 1.078 . . . . 0.0 111.101 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -40.56 63.72 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.223 1.409 . . . . 0.0 111.172 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.4 m -56.23 -39.76 73.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 127.096 2.158 . . . . 0.0 113.991 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.88 -67.08 0.46 Allowed 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 125.531 1.532 . . . . 0.0 112.452 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.9 mt -42.68 -48.48 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 128.935 2.894 . . . . 0.0 115.421 170.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.43 -39.77 64.63 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.06 -39.99 16.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.818 -1.176 . . . . 0.0 112.68 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -106.36 76.5 1.15 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.993 2.117 . . . . 0.0 110.272 -168.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -83.14 -71.12 0.51 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.389 -1.444 . . . . 0.0 112.038 -165.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -75.04 -9.48 58.58 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.878 1.271 . . . . 0.0 112.364 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.46 -47.63 41.58 Favored Glycine 0 N--CA 1.43 -1.706 0 O-C-N 120.705 -1.247 . . . . 0.0 112.65 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -67.62 -51.11 54.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 124.892 1.277 . . . . 0.0 111.765 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.57 -23.1 62.54 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.096 -1.628 . . . . 0.0 114.375 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.28 -49.99 69.2 Favored Glycine 0 N--CA 1.43 -1.736 0 O-C-N 121.13 -0.981 . . . . 0.0 111.342 172.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.17 -27.26 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 O-C-N 120.576 -1.543 . . . . 0.0 114.449 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.84 -40.52 76.24 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.572 -1.33 . . . . 0.0 112.611 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -60.47 -47.13 87.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 172.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -43.22 99.35 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.57 -1.331 . . . . 0.0 111.607 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.82 -50.98 70.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -68.41 -26.23 65.44 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.81 -1.182 . . . . 0.0 114.06 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -68.85 0.38 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 165.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.296 0.0 OUTLIER -79.42 -72.33 0.4 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 123.518 2.872 . . . . 0.0 115.745 -163.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t -169.84 135.39 1.43 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 -156.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -98.41 83.96 3.13 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -166.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.429 -1.478 0 O-C-N 120.705 -1.247 . . . . 0.0 107.87 -172.434 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 N--CA 1.43 -1.442 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -86.06 80.7 8.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.108 -1.62 . . . . 0.0 108.512 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -34.18 -57.4 0.48 Allowed 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 129.243 3.017 . . . . 0.0 116.004 169.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -34.43 -56.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 N-CA-C 118.363 2.727 . . . . 0.0 118.363 159.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.21 -25.31 66.05 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 130.008 3.323 . . . . 0.0 113.46 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.6 m -74.62 -43.4 55.64 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 119.548 -1.97 . . . . 0.0 109.336 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.47 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 O-C-N 120.997 -1.065 . . . . 0.0 113.691 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.44 3.8 ppt_? -55.2 -28.19 51.34 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.26 -42.9 92.8 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.587 -1.946 . . . . 0.0 113.657 165.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -75.08 -29.55 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 121.775 2.08 . . . . 0.0 108.683 -172.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.21 -38.54 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 O-C-N 120.756 -1.215 . . . . 0.0 111.403 171.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -68.6 -58.85 3.67 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.848 1.659 . . . . 0.0 111.831 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.76 -37.95 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 O-C-N 120.826 -1.171 . . . . 0.0 112.711 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.23 -63.53 0.97 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 159.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -57.81 -41.75 82.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.148 -1.595 . . . . 0.0 114.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.97 -44.46 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 124.822 1.249 . . . . 0.0 113.222 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.67 -63.84 1.01 Allowed 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.448 1.499 . . . . 0.0 113.915 170.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 35.2 pt -72.12 -21.68 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 O-C-N 120.645 -1.285 . . . . 0.0 114.22 -172.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.83 -57.37 10.44 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -115.66 19.8 15.06 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.7 p -138.43 -96.77 0.18 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 122.171 2.26 . . . . 0.0 111.91 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 118.8 14.5 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.722 1.601 . . . . 0.0 114.277 -165.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.04 -28.46 68.24 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.65 2.38 . . . . 0.0 117.166 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.91 -4.57 21.08 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -84.28 -32.89 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.511 0 C-N-CA 125.651 1.58 . . . . 0.0 112.069 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.51 -16.06 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 119.77 -1.831 . . . . 0.0 113.149 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -38.61 -59.91 0.87 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 155.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -102.25 101.05 11.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 122.449 2.386 . . . . 0.0 107.036 161.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.28 87.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.653 1.181 . . . . 0.0 113.958 -162.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.79 -22.64 25.57 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -85.83 -10.32 55.6 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.629 -1.919 . . . . 0.0 112.614 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.61 -42.89 57.82 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.054 -2.279 . . . . 0.0 109.538 167.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -53.35 -36.08 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 125.82 1.648 . . . . 0.0 112.906 168.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.7 -38.01 2.92 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 118.971 -2.331 . . . . 0.0 116.279 156.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.1 mt -80.09 -38.76 31.04 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.17 -2.206 . . . . 0.0 114.38 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -43.04 -34.88 1.1 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.359 2.263 . . . . 0.0 114.002 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.53 -38.66 45.85 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 128.047 2.539 . . . . 0.0 115.997 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mt -86.66 -40.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 126.929 2.092 . . . . 0.0 108.952 -170.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.13 42.77 0.69 Allowed Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 124.554 1.073 . . . . 0.0 114.659 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -54.16 107.08 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 127.366 2.266 . . . . 0.0 114.805 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.3 p -123.76 150.34 44.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.557 -1.965 . . . . 0.0 111.888 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.274 0.5 OUTLIER -121.9 -135.35 0.31 Allowed 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 116.041 -1.933 . . . . 0.0 107.624 168.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -72.18 60.31 0.42 Allowed 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 122.25 2.296 . . . . 0.0 115.612 -166.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.98 -31.11 9.03 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 127.611 2.529 . . . . 0.0 114.198 -171.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -121.61 177.82 5.08 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 122.294 3.047 . . . . 0.0 113.84 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -70.77 157.11 38.62 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.286 2.635 . . . . 0.0 110.362 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.37 124.89 34.86 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 123.873 0.869 . . . . 0.0 108.879 -176.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -107.54 -172.84 2.15 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.479 1.911 . . . . 0.0 108.882 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.56 -41.05 16.84 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.064 -2.272 . . . . 0.0 109.53 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -58.62 -10.22 2.14 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 170.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -18.12 63.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 130.181 3.392 . . . . 0.0 117.343 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.85 -55.55 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -40.38 -52.76 2.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 127.333 2.253 . . . . 0.0 115.877 170.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -62.06 -43.48 98.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 129.761 3.225 . . . . 0.0 112.378 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.92 -48.83 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 122.699 1.237 . . . . 0.0 110.381 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.49 -43.78 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.742 1.617 . . . . 0.0 112.543 -164.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -11.41 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.103 3.371 . . . . 0.0 120.103 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -109.74 -26.65 9.74 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 125.35 1.46 . . . . 0.0 114.139 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.03 138.63 55.99 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 129.045 2.938 . . . . 0.0 113.03 164.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -124.69 -160.36 0.94 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 102.553 -3.129 . . . . 0.0 102.553 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.584 2.447 . . . . 0.0 115.456 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -34.9 -56.47 0.56 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 154.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -60.76 2.8 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.547 2.739 . . . . 0.0 111.89 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -44.66 -54.18 6.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 126.224 1.81 . . . . 0.0 114.2 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -63.19 -42.29 99.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.44 -1.412 . . . . 0.0 112.868 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -67.26 -50.26 61.22 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.401 3.08 . . . . 0.0 114.213 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.95 -47.71 80.03 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.056 2.142 . . . . 0.0 113.625 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.24 -62.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.353 2.661 . . . . 0.0 111.597 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.32 -48.23 6.82 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 127.22 2.208 . . . . 0.0 116.245 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -80.76 -46.17 15.85 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -120.59 47.2 1.83 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.167 -1.583 . . . . 0.0 112.681 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -38.42 90.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.384 -1.447 . . . . 0.0 113.033 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.67 -42.91 98.01 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 126.381 1.873 . . . . 0.0 113.131 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.31 -42.09 76.14 Favored Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 124.852 1.215 . . . . 0.0 113.297 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.12 -48.43 81.64 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.896 1.278 . . . . 0.0 113.438 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -65.51 -52.9 49.36 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.823 -1.798 . . . . 0.0 112.77 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.95 -31.4 2.79 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 119.897 2.719 . . . . 0.0 119.897 166.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.263 4.1 p -90.54 -37.87 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 CA-C-N 117.869 0.834 . . . . 0.0 111.112 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -56.82 -47.47 80.2 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.88 1.672 . . . . 0.0 113.138 170.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 -41.3 85.69 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.631 -1.293 . . . . 0.0 113.544 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 1.2 t80 -61.61 -51.51 68.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 123.929 0.892 . . . . 0.0 113.313 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.69 -43.21 57.56 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 126.745 2.018 . . . . 0.0 114.657 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.77 -56.15 17.75 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.747 -1.221 . . . . 0.0 112.565 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.5 mtt -54.72 -30.36 55.85 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 118.024 2.602 . . . . 0.0 118.024 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -114.02 -78.36 0.58 Allowed 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t -178.49 159.27 1.16 Allowed 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 120.144 1.338 . . . . 0.0 110.743 -165.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -110.68 150.48 28.97 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.542 1.137 . . . . 0.0 110.9 -160.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp . . . . . 0 N--CA 1.43 -1.449 0 O-C-N 118.937 -2.352 . . . . 0.0 110.731 167.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 121.216 0.531 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -113.45 90.54 3.37 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.92 -39.34 81.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.463 -1.398 . . . . 0.0 112.145 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -40.9 -49.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 C-N-CA 130.124 3.37 . . . . 0.0 117.161 163.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.22 -50.32 68.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.873 2.069 . . . . 0.0 111.221 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.7 m -62.66 -48.54 78.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.208 -0.933 . . . . 0.0 111.699 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.76 -44.42 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 O-C-N 121.071 -1.018 . . . . 0.0 111.002 -170.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -55.81 -26.9 48.61 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -74.15 -47.97 32.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.336 -0.852 . . . . 0.0 113.155 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -42.86 -58.5 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 127.517 2.327 . . . . 0.0 115.19 162.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.97 -62.69 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 120.641 1.564 . . . . 0.0 112.565 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.4 m -40.08 -55.16 2.15 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.058 2.143 . . . . 0.0 115.994 174.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.37 -40.04 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 120.236 -1.54 . . . . 0.0 109.881 -168.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.96 -47.59 71.17 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.727 1.611 . . . . 0.0 113.778 169.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -57.41 -42.49 82.39 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 171.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.26 -42.1 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 C-N-CA 125.915 1.686 . . . . 0.0 113.136 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -73.08 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 128.255 2.622 . . . . 0.0 113.131 156.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.292 20.2 pt -69.47 -34.0 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 O-C-N 117.137 -3.477 . . . . 0.0 119.306 -161.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -30.25 71.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 120.358 3.466 . . . . 0.0 120.358 -162.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -110.97 15.59 21.66 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.489 -2.632 . . . . 0.0 112.246 167.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.9 m -118.69 -86.1 0.65 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -173.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -176.53 104.67 0.06 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 121.329 -0.857 . . . . 0.0 112.071 -152.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 3.1 mp0 -27.98 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.402 1 N-CA-C 123.715 4.709 . . . . 0.0 123.715 155.209 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -43.24 -38.21 2.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.439 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -53.13 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 120.013 -1.679 . . . . 0.0 112.792 170.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 24' ' ' GLU . 3.0 p -70.46 -22.21 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.51 -6.68 49.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 116.874 -3.641 . . . . 0.0 114.643 -165.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -136.16 150.46 49.06 Favored 'General case' 0 N--CA 1.429 -1.512 1 N-CA-C 98.852 -4.499 . . . . 0.0 98.852 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.454 21.5 ptt-85 -89.33 -32.49 17.31 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 116.34 -2.144 . . . . 0.0 116.196 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -36.19 -55.13 0.8 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 127.745 2.418 . . . . 0.0 115.931 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.27 -49.58 66.64 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.864 2.066 . . . . 0.0 112.43 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -47.01 12.62 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.18 2.592 . . . . 0.0 112.144 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.33 -55.07 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 C-N-CA 128.589 2.756 . . . . 0.0 109.88 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.63 19.95 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 131.532 3.933 . . . . 0.0 116.009 167.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.76 -45.67 49.78 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 121.628 2.013 . . . . 0.0 113.552 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.288 11.9 mt -61.12 -46.88 88.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 110.53 -3.032 . . . . 0.0 114.744 170.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.47 -39.86 77.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.637 1.975 . . . . 0.0 113.086 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.28 -44.36 91.93 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.539 3.135 . . . . 0.0 112.796 175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.25 -34.74 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-O 124.757 2.217 . . . . 0.0 109.392 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.55 24.36 3.46 Favored Glycine 0 N--CA 1.431 -1.683 1 C-N-CA 131.491 4.377 . . . . 0.0 114.841 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -76.41 105.66 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 121.029 2.414 . . . . 0.0 108.357 -168.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -110.61 -172.93 2.13 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.407 -2.058 . . . . 0.0 111.625 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -148.03 -166.7 2.6 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 104.436 -2.431 . . . . 0.0 104.436 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -44.71 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.78 -4.71 60.03 Favored Glycine 0 N--CA 1.429 -1.796 0 O-C-N 119.852 -1.78 . . . . 0.0 116.549 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -133.85 -170.69 2.56 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.257 1.423 . . . . 0.0 109.337 -167.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -89.28 -165.06 1.25 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 159.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.87 119.15 37.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -108.6 145.32 35.08 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.37 -36.72 83.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 120.571 1.532 . . . . 0.0 112.827 -172.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.42 -23.11 64.13 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 130.588 3.555 . . . . 0.0 115.685 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -70.56 21.56 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.203 2.201 . . . . 0.0 115.261 170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -79.6 -18.82 50.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.41 -2.056 . . . . 0.0 112.245 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.57 -39.33 77.41 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.714 -1.241 . . . . 0.0 108.818 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -58.85 -50.42 74.04 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.461 1.904 . . . . 0.0 111.93 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.6 mm -51.56 -56.28 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 m -84.22 -37.87 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 119.022 -2.298 . . . . 0.0 114.321 -164.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 m -72.11 -22.21 61.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.905 1.812 . . . . 0.0 111.687 -157.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.17 7.33 29.46 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 131.06 3.744 . . . . 0.0 113.586 -174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.2 mt -93.61 108.15 19.91 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.1 p -101.49 -158.36 0.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 122.742 1.258 . . . . 0.0 111.373 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -38.37 88.87 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.528 2.331 . . . . 0.0 115.713 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 127.174 2.19 . . . . 0.0 112.341 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -49.25 -71.76 0.06 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.017 2.127 . . . . 0.0 110.96 162.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -39.66 -55.33 1.9 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -170.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.87 16.49 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.968 -1.708 . . . . 0.0 114.914 172.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.1 m -49.55 -56.9 8.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.909 2.484 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.25 -41.63 89.21 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.582 1.658 . . . . 0.0 110.779 -173.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.42 -36.45 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.178 1.791 . . . . 0.0 112.235 -174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.33 -41.62 63.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 119.53 -1.981 . . . . 0.0 110.915 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.4 -43.6 14.53 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 114.44 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -114.2 40.76 2.43 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.247 -1.533 . . . . 0.0 111.842 -170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.66 -27.84 66.73 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.908 1.683 . . . . 0.0 113.749 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.95 -37.59 45.4 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.274 2.23 . . . . 0.0 115.304 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.48 -41.03 9.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 124.373 0.987 . . . . 0.0 111.461 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -64.26 -41.94 96.7 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.606 1.562 . . . . 0.0 112.972 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.94 -49.07 74.04 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.273 1.429 . . . . 0.0 114.224 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.02 42.74 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 119.739 -1.85 . . . . 0.0 113.981 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.29 4.4 m -58.7 -19.78 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.03 -50.14 73.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.014 -1.679 . . . . 0.0 111.711 168.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -68.86 -46.8 67.52 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.477 1.511 . . . . 0.0 112.704 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -36.78 82.06 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.083 -1.636 . . . . 0.0 113.044 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.79 -47.9 70.33 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 121.222 1.828 . . . . 0.0 113.664 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.48 -16.58 62.73 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.497 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 73.7 mtp -80.96 -67.52 0.77 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 123.252 2.751 . . . . 0.0 113.034 161.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 88' ' ' THR 0.276 7.9 p90 -60.49 -22.15 63.2 Favored 'General case' 0 N--CA 1.43 -1.438 1 N-CA-C 126.252 5.649 . . . . 0.0 126.252 -167.568 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 87' ' ' TYR . 1.0 OUTLIER 122.89 156.71 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 128.17 2.588 . . . . 0.0 112.988 174.174 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -94.51 100.66 12.6 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.223 -2.173 . . . . 0.0 107.568 161.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 pttm . . . . . 0 N--CA 1.428 -1.547 0 C-N-CA 125.724 1.61 . . . . 0.0 111.625 -171.318 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.43 -1.474 0 CA-C-O 122.61 1.195 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -139.05 71.92 1.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.897 2.479 . . . . 0.0 108.884 -172.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -58.27 -28.45 64.96 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.334 -1.479 . . . . 0.0 114.307 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.73 -49.12 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 C-N-CA 127.314 2.246 . . . . 0.0 114.107 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -44.67 -53.26 7.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.622 3.169 . . . . 0.0 113.269 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.425 HG23 ' CE1' ' A' ' 44' ' ' HIS . 89.4 m -56.42 -56.54 19.94 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.695 1.598 . . . . 0.0 114.524 171.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.2 -51.66 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 O-C-N 120.588 -1.32 . . . . 0.0 113.963 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -64.65 -28.23 69.47 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 122.71 2.505 . . . . 0.0 113.013 -167.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.68 -53.92 52.86 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.257 1.823 . . . . 0.0 113.353 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.05 -29.7 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 127.298 2.239 . . . . 0.0 113.431 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -80.57 -46.24 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 108.156 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -52.98 -57.74 9.33 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.944 2.498 . . . . 0.0 113.126 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.01 -33.36 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.626 -1.296 . . . . 0.0 112.702 -171.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.06 26.83 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 123.688 0.795 . . . . 0.0 112.641 166.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -56.88 -35.28 68.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.499 1.92 . . . . 0.0 114.521 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.15 -42.28 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 120.361 -1.462 . . . . 0.0 112.791 172.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.9 -28.7 22.64 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.256 -1.528 . . . . 0.0 112.257 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.681 HD12 ' CE1' ' A' ' 83' ' ' TYR . 9.0 pt -90.59 -24.23 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 118.144 -2.848 . . . . 0.0 117.243 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -70.84 -92.11 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.309 -2.119 . . . . 0.0 112.799 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -94.71 74.38 3.67 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.328 2.331 . . . . 0.0 110.593 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -171.5 -87.5 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.245 1.018 . . . . 0.0 111.894 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -147.3 101.75 3.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.299 -1.501 . . . . 0.0 111.769 -162.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -86.15 -30.02 22.81 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.399 -2.063 . . . . 0.0 111.069 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -50.05 -28.76 7.56 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 128.041 2.536 . . . . 0.0 115.248 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.78 -40.68 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.606 1.962 . . . . 0.0 111.339 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -68.93 -21.41 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 177.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.73 -49.04 77.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.535 1.534 . . . . 0.0 114.275 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.45 96.42 7.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.074 1.75 . . . . 0.0 107.585 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -61.81 -22.83 65.8 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 -169.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.84 -15.55 56.06 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 122.54 2.427 . . . . 0.0 112.535 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -73.25 -51.91 15.94 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 53.3 t80 -51.91 -50.95 60.08 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.544 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.93 -53.33 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 124.903 1.281 . . . . 0.0 110.658 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.15 -20.26 64.02 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.817 -0.552 . . . . 0.0 111.986 -170.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -86.19 -24.16 26.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 125.794 1.638 . . . . 0.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -72.71 -25.39 61.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.619 -2.551 . . . . 0.0 111.42 171.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -76.65 -32.84 58.23 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 119.706 -1.871 . . . . 0.0 115.129 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -46.06 -42.53 13.56 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.202 2.201 . . . . 0.0 115.346 164.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.0 -30.88 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 C-N-CA 126.783 2.033 . . . . 0.0 114.251 170.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.81 35.12 5.71 Favored Glycine 0 N--CA 1.429 -1.774 0 O-C-N 120.499 -1.375 . . . . 0.0 111.691 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.47 121.94 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -141.67 167.11 22.92 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.823 2.049 . . . . 0.0 106.698 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 7' ' ' THR 0.275 35.4 m80 -137.33 -115.61 0.16 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.552 -1.342 . . . . 0.0 113.842 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.83 61.76 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 127.59 2.356 . . . . 0.0 115.993 -167.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.02 -8.4 60.47 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 126.646 2.069 . . . . 0.0 112.663 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -135.15 173.21 11.97 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 125.078 1.351 . . . . 0.0 111.569 -167.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 166.91 8.23 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.647 1.979 . . . . 0.0 112.617 166.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -84.25 113.57 21.2 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.725 -1.234 . . . . 0.0 108.543 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -109.93 155.13 22.14 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.59 -28.75 59.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -166.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.59 -37.34 86.95 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.557 -1.34 . . . . 0.0 112.622 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.2 m -71.31 18.6 0.07 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -96.0 -15.29 22.39 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.776 -1.827 . . . . 0.0 108.462 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -50.87 -49.67 58.69 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.189 -2.194 . . . . 0.0 115.167 157.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.55 -51.88 66.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 127.363 2.265 . . . . 0.0 114.554 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mt -46.84 -59.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 126.09 1.756 . . . . 0.0 114.331 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -84.0 -16.22 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 120.449 -1.407 . . . . 0.0 112.951 -165.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -72.03 -36.13 69.58 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.328 -1.483 . . . . 0.0 109.874 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.65 -28.23 64.64 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.22 113.25 25.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.514 1.526 . . . . 0.0 114.608 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.7 p -96.27 -158.06 0.63 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.002 -1.686 . . . . 0.0 110.239 169.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.04 -21.44 61.38 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 128.561 2.744 . . . . 0.0 112.592 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.39 -46.96 3.49 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.196 2.998 . . . . 0.0 115.628 167.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -63.81 1.16 Allowed 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.283 1.833 . . . . 0.0 113.73 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -35.31 -63.75 0.32 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 130.279 3.432 . . . . 0.0 113.692 169.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -56.68 4.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 m -63.72 -47.58 80.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 130.678 3.591 . . . . 0.0 110.671 -172.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.02 -49.42 67.79 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.09 1.356 . . . . 0.0 108.531 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.86 -51.44 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 C-N-CA 128.169 2.587 . . . . 0.0 111.578 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.45 -46.47 13.58 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -78.04 -45.61 23.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.003 -1.061 . . . . 0.0 113.386 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.84 135.03 18.06 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 123.043 1.401 . . . . 0.0 113.918 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -87.65 -35.86 17.78 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.34 -1.475 . . . . 0.0 113.661 -177.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -59.36 -38.12 79.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -164.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.73 -43.84 13.86 Favored Glycine 0 N--CA 1.429 -1.77 0 O-C-N 120.586 -1.321 . . . . 0.0 112.474 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -60.75 -51.37 69.62 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 125.925 1.69 . . . . 0.0 112.222 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.9 -45.67 88.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 121.21 -0.931 . . . . 0.0 112.29 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.6 -52.98 27.11 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.973 1.749 . . . . 0.0 114.583 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 p -74.23 -32.58 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 118.987 1.394 . . . . 0.0 113.804 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.26 -38.48 91.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.589 -1.945 . . . . 0.0 112.288 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -60.91 -37.55 82.66 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.054 1.342 . . . . 0.0 113.433 169.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.681 ' CE1' HD12 ' A' ' 19' ' ' ILE . 23.1 t80 -61.69 -49.64 75.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.663 -1.273 . . . . 0.0 111.968 168.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.14 -46.61 68.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.176 -1.577 . . . . 0.0 115.03 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.59 -30.58 64.51 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.614 -1.304 . . . . 0.0 113.579 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.5 mtt -85.94 -41.18 15.13 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.868 -1.77 . . . . 0.0 113.239 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -101.68 -74.51 0.62 Allowed 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 111.847 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -167.48 154.62 8.52 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 120.83 1.65 . . . . 0.0 110.786 -173.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -88.6 143.69 26.79 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.842 -1.786 . . . . 0.0 109.863 174.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 N--CA 1.429 -1.497 0 O-C-N 120.429 -1.419 . . . . 0.0 109.945 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -163.97 -36.18 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.706 -1.246 . . . . 0.0 111.798 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -49.94 -29.01 7.57 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 119.275 -2.141 . . . . 0.0 114.453 164.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.6 -44.46 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 126.852 2.061 . . . . 0.0 111.991 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -51.28 -53.62 33.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 130.304 3.442 . . . . 0.0 112.511 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.9 m -53.7 -52.0 61.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 124.342 1.057 . . . . 0.0 112.861 172.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.7 t -66.39 -47.82 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -57.8 -37.59 74.03 Favored 'General case' 0 N--CA 1.43 -1.475 0 CA-C-O 123.329 1.538 . . . . 0.0 112.319 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.7 -50.24 63.47 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.534 2.334 . . . . 0.0 111.464 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.23 -54.28 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 119.968 1.258 . . . . 0.0 112.347 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.86 -39.38 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -63.81 -46.23 86.06 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.838 -1.789 . . . . 0.0 112.759 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.87 -29.89 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 O-C-N 121.421 -0.799 . . . . 0.0 111.495 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.49 45.92 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.992 -1.068 . . . . 0.0 113.425 168.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -51.34 -34.59 34.48 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.644 2.378 . . . . 0.0 115.286 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.77 -55.62 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 C-N-CA 125.59 1.556 . . . . 0.0 110.756 171.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 22' ' ' SER . 0.2 OUTLIER -77.84 -29.03 50.3 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.74 -1.225 . . . . 0.0 112.829 -173.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 20.8 pt -77.62 -27.11 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 O-C-N 118.563 -2.586 . . . . 0.0 115.351 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -79.25 0.17 Allowed 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.309 -1.494 . . . . 0.0 109.411 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -53.08 20.74 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 135.158 5.383 . . . . 0.0 119.003 165.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.4 t -168.63 -68.95 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 122.179 2.263 . . . . 0.0 114.643 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -147.82 100.18 3.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.306 -1.496 . . . . 0.0 112.412 -160.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.2 -37.2 22.14 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.347 -1.471 . . . . 0.0 110.384 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -53.7 -13.78 0.76 Allowed 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.88 -41.93 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.321 2.248 . . . . 0.0 112.233 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.54 -30.71 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 119.191 -2.193 . . . . 0.0 112.708 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -37.62 -39.81 0.36 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 129.259 3.024 . . . . 0.0 115.45 164.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -127.22 94.33 3.98 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.623 -3.103 . . . . 0.0 102.623 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -30.3 71.46 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.262 -2.149 . . . . 0.0 116.235 -151.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.86 -16.59 61.59 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.245 -2.159 . . . . 0.0 113.008 -171.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -69.02 -49.33 58.65 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 128.67 2.788 . . . . 0.0 110.795 172.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -58.23 -49.64 76.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 123.784 1.754 . . . . 0.0 111.884 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.07 -43.34 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.987 2.115 . . . . 0.0 111.017 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.22 70.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 124.256 1.979 . . . . 0.0 111.418 -172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -86.01 -33.54 21.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 128.29 2.636 . . . . 0.0 111.775 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.11 -42.68 91.1 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 118.677 -2.514 . . . . 0.0 112.592 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.422 ' OD1' ' HB3' ' A' ' 48' ' ' LYS . 19.5 m-80 -51.96 -55.41 20.51 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.487 -1.383 . . . . 0.0 114.466 176.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -34.04 -46.43 0.24 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 127.105 2.162 . . . . 0.0 116.822 167.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mt -56.3 -38.48 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.98 1.712 . . . . 0.0 113.125 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.11 46.24 0.83 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 124.934 1.254 . . . . 0.0 111.449 -168.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.12 116.29 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 109.178 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.2 p -126.5 151.15 48.2 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 127.685 2.394 . . . . 0.0 108.403 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.459 ' CE1' HD13 ' A' ' 49' ' ' LEU . 56.9 m170 -114.17 -118.86 0.31 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 121.251 -0.905 . . . . 0.0 109.429 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -76.16 85.53 3.0 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.473 -0.767 . . . . 0.0 112.203 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.56 -26.05 0.28 Allowed Glycine 0 N--CA 1.429 -1.768 0 O-C-N 116.798 -3.689 . . . . 0.0 121.629 -171.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -125.5 -165.07 1.36 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -167.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . 42.3 mmtm -92.42 -154.3 0.38 Allowed 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 123.388 2.813 . . . . 0.0 105.646 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.459 HD13 ' CE1' ' A' ' 44' ' ' HIS . 63.1 tp -98.72 128.14 44.87 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 123.475 2.852 . . . . 0.0 109.284 160.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -91.07 169.64 10.7 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.505 -1.372 . . . . 0.0 110.513 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -71.29 -42.28 68.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.287 -1.508 . . . . 0.0 109.676 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -49.7 -37.52 29.36 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.829 2.052 . . . . 0.0 116.075 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -68.43 -0.64 5.18 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -168.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.67 -18.45 64.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.394 -1.441 . . . . 0.0 114.005 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -56.32 -54.45 45.35 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.367 -2.083 . . . . 0.0 113.834 160.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -57.33 -44.27 84.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 127.498 2.319 . . . . 0.0 115.657 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -47.58 -68.4 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 127.134 2.174 . . . . 0.0 114.169 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.63 -25.03 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.332 1.053 . . . . 0.0 113.547 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.5 m -65.84 -49.86 66.68 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.535 -1.353 . . . . 0.0 111.403 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -47.54 85.94 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.76 130.09 44.87 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.389 2.276 . . . . 0.0 114.732 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -108.15 -169.49 1.52 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.49 -1.382 . . . . 0.0 111.483 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -80.02 -26.93 39.6 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.4 -1.437 . . . . 0.0 111.787 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.28 -51.2 65.35 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 126.29 1.836 . . . . 0.0 113.237 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -53.54 -60.96 2.64 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 128.521 2.728 . . . . 0.0 114.336 172.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -32.99 -56.28 0.38 Allowed 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 165.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.209 -1.557 . . . . 0.0 113.043 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -60.76 -33.07 72.39 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.948 -1.72 . . . . 0.0 113.626 163.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.6 tp -78.01 -37.65 46.59 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.529 -2.607 . . . . 0.0 110.432 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.84 -40.76 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 124.972 1.309 . . . . 0.0 109.83 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.23 -45.56 92.81 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 171.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -69.38 -47.72 63.37 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.174 -1.579 . . . . 0.0 114.037 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -145.99 96.79 2.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.143 0.973 . . . . 0.0 112.157 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.2 -31.93 71.69 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 125.083 1.353 . . . . 0.0 113.394 169.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.85 -49.42 49.22 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 129.191 2.997 . . . . 0.0 116.001 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.35 -31.51 63.42 Favored Glycine 0 N--CA 1.43 -1.721 0 O-C-N 121.335 -0.853 . . . . 0.0 112.972 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -71.33 -50.53 31.41 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.103 1.361 . . . . 0.0 112.004 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.02 -46.2 71.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 124.663 1.185 . . . . 0.0 112.601 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.23 -52.13 13.62 Favored Glycine 0 N--CA 1.43 -1.709 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 167.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.22 -23.95 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 O-C-N 120.866 -1.373 . . . . 0.0 113.437 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.26 -45.71 92.06 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.873 1.669 . . . . 0.0 112.347 170.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -69.7 -26.09 64.19 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.973 -1.704 . . . . 0.0 114.057 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 15.1 t80 -68.48 -49.24 61.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.564 -1.335 . . . . 0.0 110.377 166.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp -50.23 -57.3 8.1 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 127.705 2.402 . . . . 0.0 115.126 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -34.5 -72.96 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.092 2.557 . . . . 0.0 116.417 154.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.7 mmt -82.71 -29.32 29.93 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 123.864 3.029 . . . . 0.0 114.483 -165.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.32 -73.26 0.57 Allowed 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.929 -1.107 . . . . 0.0 112.423 -173.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.22 135.99 1.01 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 118.21 -1.396 . . . . 0.0 108.088 -155.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -111.0 140.75 45.26 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.455 0 O-C-N 121.18 -0.95 . . . . 0.0 111.026 -163.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.9 152.58 32.04 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 158.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.98 -41.47 35.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 117.897 -3.002 . . . . 0.0 108.562 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 65' ' ' ASP . 12.4 mt -53.6 -27.76 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 128.202 2.601 . . . . 0.0 115.601 166.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HA ' HH11 ' A' ' 9' ' ' ARG . 19.6 t70 -56.16 -56.92 15.01 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.033 -1.667 . . . . 0.0 113.848 161.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 m -65.05 -50.21 67.1 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 121.114 -0.991 . . . . 0.0 113.256 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.91 -50.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 127.201 2.2 . . . . 0.0 115.401 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 12' ' ' ILE . 7.3 ptt-85 -82.29 -9.29 59.53 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 112.745 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.8 -38.25 67.28 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.314 -1.491 . . . . 0.0 111.265 162.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.34 -60.02 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 125.041 1.336 . . . . 0.0 112.015 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 9' ' ' ARG 0.275 0.0 OUTLIER -66.65 -32.11 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 O-C-N 119.85 -1.781 . . . . 0.0 115.16 -175.051 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -71.29 -43.89 66.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.083 -2.26 . . . . 0.0 111.04 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.7 -32.99 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 121.174 -0.954 . . . . 0.0 110.236 -172.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.66 82.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.46 -1.4 . . . . 0.0 112.893 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -54.22 -36.77 63.86 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -65.86 -55.53 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 119.511 -1.993 . . . . 0.0 113.089 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -39.21 -57.36 1.35 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 127.304 2.242 . . . . 0.0 115.282 161.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.26 16.4 pt -76.53 -41.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 117.908 -2.995 . . . . 0.0 114.93 -175.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -75.18 -33.87 61.48 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 116.976 -1.488 . . . . 0.0 113.776 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -110.85 13.86 22.2 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 122.035 2.198 . . . . 0.0 113.942 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -138.95 -80.95 0.31 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -150.03 112.86 4.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.382 -1.449 . . . . 0.0 114.751 -164.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.03 -47.95 81.54 Favored 'General case' 0 N--CA 1.43 -1.43 1 C-N-CA 131.712 4.005 . . . . 0.0 119.607 153.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -30.85 -44.85 0.06 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 167.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.21 -52.63 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 O-C-N 119.392 -2.067 . . . . 0.0 112.257 171.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -9.94 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 128.733 2.813 . . . . 0.0 118.179 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.65 -56.78 11.67 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 118.157 -2.839 . . . . 0.0 111.016 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -96.56 152.18 18.88 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 123.531 1.634 . . . . 0.0 107.415 170.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 mtm-85 -90.56 -31.2 16.81 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.419 -1.425 . . . . 0.0 111.307 -166.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.32 -12.76 15.04 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.924 2.089 . . . . 0.0 115.569 168.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.81 -51.55 5.03 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -43.29 -40.65 3.62 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 169.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -42.11 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 C-N-CA 129.879 3.272 . . . . 0.0 112.761 -174.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.65 -53.57 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 117.44 -3.287 . . . . 0.0 116.098 158.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -61.44 -24.47 66.57 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.12 -26.79 48.12 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.917 1.287 . . . . 0.0 113.101 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.37 -32.18 73.41 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.588 -1.945 . . . . 0.0 113.593 171.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.06 -53.44 58.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.442 1.897 . . . . 0.0 115.895 171.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mt -46.69 -39.22 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.899 1.68 . . . . 0.0 112.109 164.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.86 43.39 7.7 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 124.451 1.024 . . . . 0.0 110.937 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -87.27 98.96 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p -103.06 -170.47 1.8 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.035 1.334 . . . . 0.0 107.821 -165.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.799 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 41.2 p-80 -160.09 -115.19 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.799 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 36.0 tt0 -83.34 77.5 9.78 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.958 -1.714 . . . . 0.0 110.577 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.47 -12.84 19.04 Favored Glycine 0 N--CA 1.431 -1.662 0 O-C-N 117.254 -3.404 . . . . 0.0 118.575 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -129.22 -168.73 1.98 Allowed 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.214 -1.168 . . . . 0.0 112.36 -165.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 54.9 mmtt -98.4 -175.12 3.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.063 2.145 . . . . 0.0 110.606 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.68 122.97 42.58 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.541 1.936 . . . . 0.0 106.892 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -109.67 168.35 9.47 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.88 -1.763 . . . . 0.0 108.655 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -77.14 -26.58 53.3 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 124.489 2.09 . . . . 0.0 111.174 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.67 -5.36 59.27 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.531 2.732 . . . . 0.0 114.689 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 p -79.3 18.27 0.71 Allowed 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.81 -1.806 . . . . 0.0 115.51 -166.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -64.36 -52.0 60.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.144 2.178 . . . . 0.0 113.941 -167.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -47.2 -37.3 10.05 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.19 -20.99 43.47 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.416 -1.428 . . . . 0.0 111.296 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.92 -56.18 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-O 117.815 -1.088 . . . . 0.0 112.129 167.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.39 -17.48 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-N 125.263 3.665 . . . . 0.0 115.296 -157.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.2 t -86.43 -17.29 34.69 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.185 -1.572 . . . . 0.0 111.257 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -76.43 -10.62 59.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.742 1.217 . . . . 0.0 113.628 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -107.56 138.08 44.43 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 127.091 2.157 . . . . 0.0 108.241 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -97.84 -157.25 0.58 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.125 -1.609 . . . . 0.0 108.509 173.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.16 -20.3 52.56 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.283 -2.136 . . . . 0.0 116.598 170.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.18 -27.85 66.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.42 -1.425 . . . . 0.0 111.585 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' HD11 ' A' ' 5' ' ' ILE . 1.5 p-10 -57.72 -52.77 64.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.891 1.276 . . . . 0.0 112.254 175.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -48.0 -51.29 24.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.448 3.099 . . . . 0.0 114.132 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -50.12 46.26 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.119 -2.238 . . . . 0.0 115.022 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -39.13 -64.12 0.48 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.419 2.688 . . . . 0.0 115.334 165.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -38.0 -49.77 1.29 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 169.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.97 -28.08 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 125.225 1.41 . . . . 0.0 110.641 -169.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.92 -36.49 41.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.237 1.415 . . . . 0.0 110.062 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -90.73 -46.27 8.35 Favored 'General case' 0 N--CA 1.428 -1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 113.371 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -136.46 73.33 1.45 Allowed 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.315 -1.49 . . . . 0.0 111.544 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.87 -33.56 72.41 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.33 1.452 . . . . 0.0 110.951 172.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.49 -37.45 57.28 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.135 2.174 . . . . 0.0 115.017 175.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.94 -47.37 66.28 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.52 1.057 . . . . 0.0 114.037 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.95 -51.1 70.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.299 1.44 . . . . 0.0 111.304 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.27 -46.73 72.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.868 2.067 . . . . 0.0 114.571 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -60.76 7.3 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 125.37 1.462 . . . . 0.0 113.134 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -53.96 -43.29 69.76 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 121.033 1.742 . . . . 0.0 113.358 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -59.83 -44.68 93.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.044 0.938 . . . . 0.0 113.264 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 19' ' ' ILE . 2.4 t80 -64.56 -39.0 92.95 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.846 -1.158 . . . . 0.0 113.916 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.56 -52.37 65.45 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.178 1.391 . . . . 0.0 112.651 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.07 -28.75 61.54 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.624 -1.297 . . . . 0.0 112.504 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.63 -67.74 0.35 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 166.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.15 -69.53 0.75 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.952 -1.092 . . . . 0.0 112.017 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t -146.5 114.12 6.4 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.93 -144.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.18 95.67 9.87 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.66 -1.9 . . . . 0.0 109.342 -172.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mptt . . . . . 0 N--CA 1.43 -1.437 0 C-N-CA 125.402 1.481 . . . . 0.0 107.437 173.091 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -102.09 120.14 39.95 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' HB3' HD21 ' A' ' 61' ' ' LEU . 83.7 m-20 -47.53 -8.83 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.695 3.22 . . . . 0.0 119.695 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.5 mt -94.04 -55.78 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 1 C-N-CA 133.201 4.6 . . . . 0.0 107.841 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.31 -25.63 66.93 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.446 2.299 . . . . 0.0 108.271 170.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -61.3 -74.78 0.08 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 118.015 -2.928 . . . . 0.0 114.262 156.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 ' HA ' HG12 ' A' ' 11' ' ' ILE . 78.4 t -52.94 -36.31 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -174.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.297 0.1 OUTLIER -74.45 -37.68 63.19 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -41.5 -69.12 0.14 Allowed 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 115.854 -2.022 . . . . 0.0 114.086 147.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' VAL . 14.1 mm -37.5 -71.42 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-N 123.315 2.78 . . . . 0.0 117.283 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' H ' ' HB ' ' A' ' 11' ' ' ILE . 80.2 mt -37.27 -43.46 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 130.81 3.644 . . . . 0.0 115.052 170.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 m -70.41 -57.2 5.07 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.116 -1.615 . . . . 0.0 111.935 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.86 -52.9 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 O-C-N 120.39 -1.443 . . . . 0.0 114.19 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.4 -49.15 13.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.685 3.217 . . . . 0.0 119.685 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -89.84 -25.56 20.97 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 121.28 -0.887 . . . . 0.0 109.232 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.18 -31.69 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 121.538 -0.726 . . . . 0.0 109.769 169.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -51.68 17.38 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.939 -1.725 . . . . 0.0 112.46 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.6 pt -70.68 -32.79 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -34.81 -67.39 0.14 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.635 2.374 . . . . 0.0 116.725 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -117.72 79.83 1.42 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.845 -1.784 . . . . 0.0 109.288 164.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -148.47 -95.64 0.08 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 118.419 -2.675 . . . . 0.0 105.846 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -126.25 140.51 52.47 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.631 -1.918 . . . . 0.0 111.304 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -84.44 -16.94 40.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.5 2.572 . . . . 0.0 109.884 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.88 -43.34 73.07 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 129.17 2.988 . . . . 0.0 111.923 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -19.12 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 172.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.303 1.0 OUTLIER -93.83 -35.7 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 120.605 1.548 . . . . 0.0 114.56 169.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -45.35 -46.63 13.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -101.46 143.68 31.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -81.42 -45.3 16.27 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 127.172 2.189 . . . . 0.0 112.707 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.64 -40.69 2.82 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.226 3.011 . . . . 0.0 115.29 175.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -79.69 -33.23 41.25 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.913 2.485 . . . . 0.0 111.212 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.28 -49.17 62.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 124.236 1.969 . . . . 0.0 108.841 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.49 -43.9 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.167 173.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.76 62.44 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.85 -14.78 25.72 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 118.513 -2.617 . . . . 0.0 115.435 168.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.55 -52.15 66.81 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 152.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -39.42 -41.81 1.0 Allowed 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 128.389 2.676 . . . . 0.0 117.569 160.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.79 -55.44 32.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 166.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -37.16 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 C-N-CA 126.036 1.734 . . . . 0.0 113.602 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.62 24.71 7.65 Favored Glycine 0 N--CA 1.43 -1.749 0 O-C-N 121.282 -0.886 . . . . 0.0 112.721 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 m -59.33 125.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 120.951 -1.323 . . . . 0.0 113.956 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.1 p -126.01 160.02 31.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 122.969 1.366 . . . . 0.0 110.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -123.4 -138.67 0.3 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 166.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.34 112.25 5.09 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.555 -1.966 . . . . 0.0 111.827 178.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.72 1.05 0.07 OUTLIER Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 120.664 3.025 . . . . 0.0 120.664 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -141.22 168.3 20.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.548 2.674 . . . . 0.0 108.646 -169.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -43.81 157.51 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.539 1.935 . . . . 0.0 115.921 156.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -81.27 146.65 30.32 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 122.67 2.486 . . . . 0.0 110.098 166.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' H ' HD13 ' A' ' 49' ' ' LEU . 4.4 t-20 -114.16 175.36 5.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.861 1.264 . . . . 0.0 109.113 -164.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.44 -4.14 29.5 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 165.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -107.31 -7.16 16.81 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 120.998 1.726 . . . . 0.0 112.342 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.7 p -78.46 23.84 0.29 Allowed 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.899 2.079 . . . . 0.0 115.628 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -74.15 -24.84 59.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.984 -2.322 . . . . 0.0 112.401 -165.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -58.01 -52.66 64.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.116 2.566 . . . . 0.0 114.294 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -48.17 -32.24 6.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.862 2.865 . . . . 0.0 118.519 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.44 -69.08 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 126.028 1.731 . . . . 0.0 114.689 159.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.288 3.3 p -99.91 -8.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -155.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.9 p -60.24 -53.2 60.55 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.438 -3.289 . . . . 0.0 113.136 165.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -51.64 -15.7 0.51 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 4' ' ' ASN . 92.7 mt -94.76 127.37 40.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 123.521 1.629 . . . . 0.0 112.122 -170.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -116.85 -171.53 2.04 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.736 1.731 . . . . 0.0 113.151 -166.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -51.97 -46.94 65.0 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.333 2.253 . . . . 0.0 112.586 168.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -49.49 -42.3 43.07 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 128.158 2.583 . . . . 0.0 115.798 172.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -56.24 15.29 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.438 1.495 . . . . 0.0 110.036 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -51.49 -53.91 32.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 128.166 3.841 . . . . 0.0 112.689 -158.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -89.06 -25.8 21.74 Favored 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 108.388 -4.005 . . . . 0.0 110.75 -169.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -67.73 -35.76 79.34 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.905 -1.747 . . . . 0.0 112.32 173.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.47 -52.29 16.44 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 126.874 2.069 . . . . 0.0 111.949 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.5 mm -79.1 -6.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 1 C-N-CA 134.445 5.098 . . . . 0.0 108.772 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.12 -59.98 2.56 Favored 'General case' 0 N--CA 1.429 -1.487 1 O-C-N 115.332 -4.605 . . . . 0.0 112.865 148.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -76.52 -46.91 24.55 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -162.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.02 111.53 16.7 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 120.224 -1.548 . . . . 0.0 111.025 -172.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.46 -51.85 4.59 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.456 -1.403 . . . . 0.0 111.396 -170.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.79 -22.54 53.54 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -159.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.06 -34.58 37.21 Favored Glycine 0 N--CA 1.431 -1.699 0 O-C-N 120.01 -1.681 . . . . 0.0 113.081 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -69.61 -41.95 75.02 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 121.235 -1.156 . . . . 0.0 110.811 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -48.85 -51.92 27.03 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.948 2.099 . . . . 0.0 113.227 169.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.91 -59.09 4.58 Favored Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 126.812 2.149 . . . . 0.0 117.047 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.38 -38.79 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 O-C-N 121.268 -1.136 . . . . 0.0 113.158 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.59 -50.54 72.18 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.377 -1.452 . . . . 0.0 113.761 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -70.77 -34.53 71.91 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.471 -1.393 . . . . 0.0 113.189 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.47 81.49 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.44 -1.412 . . . . 0.0 111.212 172.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.5 tp -61.78 -35.92 79.56 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.634 -2.541 . . . . 0.0 114.561 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.16 -43.66 97.67 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.51 -1.369 . . . . 0.0 113.42 173.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.28 -71.55 0.11 Allowed 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.464 2.705 . . . . 0.0 117.38 163.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.394 23.7 p90 -79.41 -72.03 0.41 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 125.51 3.777 . . . . 0.0 113.148 -158.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -160.6 104.42 1.4 Allowed 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 124.073 1.892 . . . . 0.0 108.492 -167.021 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -109.97 152.53 25.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.499 2.32 . . . . 0.0 112.018 -157.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? . . . . . 0 N--CA 1.43 -1.435 0 C-N-CA 126.723 2.009 . . . . 0.0 112.906 178.644 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 . . . . . 0 N--CA 1.431 -1.424 0 CA-C-O 122.853 1.311 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -104.37 148.45 26.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.787 1.635 . . . . 0.0 109.079 177.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -56.58 -31.37 64.17 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.033 1.333 . . . . 0.0 114.418 167.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -63.5 -50.14 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 128.104 2.561 . . . . 0.0 112.447 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -32.07 73.36 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 127.323 2.249 . . . . 0.0 112.772 171.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -57.22 -58.59 7.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 117.55 -3.219 . . . . 0.0 113.914 161.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.88 -43.55 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -62.59 -38.89 91.88 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 119.767 -1.833 . . . . 0.0 114.009 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -48.59 -59.53 3.44 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 159.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.18 -54.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 126.561 1.944 . . . . 0.0 113.595 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt -66.55 -39.79 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 -175.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -66.93 -51.92 49.33 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.348 -1.47 . . . . 0.0 112.512 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -51.55 -50.42 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 125.526 1.53 . . . . 0.0 114.585 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.62 10.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.61 1.564 . . . . 0.0 115.199 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.65 -44.6 69.76 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.756 2.422 . . . . 0.0 112.184 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.9 -34.27 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 120.355 -1.466 . . . . 0.0 111.938 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.97 -43.28 71.84 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.115 -1.615 . . . . 0.0 110.457 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CZ ' ' A' ' 83' ' ' TYR 0.276 11.7 pt -75.29 -27.44 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.861 -1.774 . . . . 0.0 114.998 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -71.4 -63.78 1.05 Allowed 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 122.948 2.613 . . . . 0.0 109.164 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -101.39 17.96 21.3 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -138.57 -75.09 0.38 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.222 -2.174 . . . . 0.0 113.786 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -147.96 104.77 3.6 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 120.474 1.488 . . . . 0.0 112.721 -161.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -84.98 -8.25 58.81 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 119.467 -2.021 . . . . 0.0 111.573 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.79 -4.02 5.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.954 2.502 . . . . 0.0 114.011 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -98.26 -19.52 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 O-C-N 118.903 -2.373 . . . . 0.0 110.244 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.79 -23.45 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 O-C-N 119.348 -2.095 . . . . 0.0 113.178 -171.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -46.91 -43.6 19.05 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 128.193 2.597 . . . . 0.0 117.383 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -120.69 100.49 7.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -67.99 -16.24 63.96 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -155.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.7 62.12 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.127 -2.233 . . . . 0.0 114.718 169.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -72.33 -35.31 68.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.526 -1.359 . . . . 0.0 112.79 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . 0.28 0.0 OUTLIER -68.86 -50.36 50.54 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.315 . . . . 0.0 110.987 179.553 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.0 mt -50.53 -48.49 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 129.154 2.982 . . . . 0.0 112.274 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.42 -31.31 53.94 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.833 -1.792 . . . . 0.0 108.047 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.489 -1.38 0 O-C-N 118.895 -2.378 . . . . 0.0 114.997 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.05 -31.2 64.27 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 118.939 -2.35 . . . . 0.0 111.141 166.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.23 -47.28 75.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.86 -37.8 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.082 -1.636 . . . . 0.0 112.107 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.2 41.69 5.15 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 124.144 0.878 . . . . 0.0 111.226 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.59 136.38 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.196 0.999 . . . . 0.0 108.796 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -114.22 173.76 6.28 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.429 -2.045 . . . . 0.0 109.613 -159.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.708 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 19.2 p-80 -157.03 -119.24 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.137 -2.171 . . . . 0.0 105.137 174.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.708 ' H ' ' CD2' ' A' ' 44' ' ' HIS 0.253 27.1 tt0 -84.81 86.69 7.32 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 118.899 -2.376 . . . . 0.0 107.938 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.85 5.12 8.39 Favored Glycine 0 N--CA 1.43 -1.718 0 N-CA-C 119.099 2.4 . . . . 0.0 119.099 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 62.5 mtm180 -140.38 173.86 11.09 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 126.823 2.049 . . . . 0.0 108.53 -162.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -94.85 175.57 6.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 122.106 2.23 . . . . 0.0 109.396 167.421 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 tp -93.75 124.12 37.53 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.129 -2.232 . . . . 0.0 113.711 -146.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -105.43 157.52 17.29 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.774 1.63 . . . . 0.0 112.798 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -95.6 -25.95 15.96 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 -163.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -78.26 -20.04 52.46 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.244 -2.16 . . . . 0.0 111.158 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -72.01 9.37 0.96 Allowed 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.58 -14.32 62.45 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.451 -2.03 . . . . 0.0 111.843 160.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -60.54 -46.63 89.48 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.27 -1.519 . . . . 0.0 111.399 164.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -56.74 -31.91 65.04 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.57 -59.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.515 0 CA-C-O 124.151 1.929 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.36 -11.39 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.293 2.237 . . . . 0.0 112.841 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -50.7 -37.11 39.44 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.163 -2.211 . . . . 0.0 116.519 153.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.51 -36.21 10.39 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.959 1.303 . . . . 0.0 112.461 -166.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.92 109.81 18.41 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.046 0.927 . . . . 0.0 111.125 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.434 ' HB ' ' H ' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -107.61 -157.38 0.61 Allowed 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.557 2.343 . . . . 0.0 107.146 174.112 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' H ' ' HB ' ' A' ' 62' ' ' THR . 78.7 mt-30 -65.25 -21.82 66.78 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.704 -2.498 . . . . 0.0 114.71 -174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -50.47 -39.1 47.14 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -46.84 70.97 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 127.243 2.217 . . . . 0.0 110.899 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -50.37 -57.43 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.956 1.702 . . . . 0.0 112.639 173.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -56.72 -47.77 79.24 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.1 m -67.68 -43.61 79.77 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 129.849 3.26 . . . . 0.0 112.7 -168.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.28 -24.28 20.95 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.544 1.538 . . . . 0.0 109.149 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.65 -52.37 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 CA-C-N 122.213 2.279 . . . . 0.0 111.156 166.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -40.47 -57.55 1.78 Allowed 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 127.062 2.145 . . . . 0.0 115.976 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.71 -44.97 9.14 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -133.4 65.41 1.59 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 119.512 1.051 . . . . 0.0 111.808 -168.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.27 -34.94 79.54 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.28 -1.512 . . . . 0.0 111.955 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -49.51 -36.52 23.43 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 128.752 2.821 . . . . 0.0 115.019 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.87 -53.87 34.7 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 125.004 1.288 . . . . 0.0 113.278 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -62.41 -45.99 90.6 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.175 1.39 . . . . 0.0 112.497 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.93 -48.45 80.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.01 1.724 . . . . 0.0 114.663 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.2 68.35 Favored Glycine 0 N--CA 1.429 -1.791 0 O-C-N 120.011 -1.681 . . . . 0.0 114.207 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.418 3.5 p -60.62 -41.05 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.401 0 CA-C-N 114.971 -0.614 . . . . 0.0 112.243 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.09 -46.88 85.3 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.982 1.313 . . . . 0.0 113.857 170.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 ttm180 -59.66 -39.83 85.7 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.677 -1.889 . . . . 0.0 114.264 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 10.9 t80 -66.3 -50.45 63.6 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.892 1.677 . . . . 0.0 110.718 173.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.36 -43.08 74.73 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.161 2.185 . . . . 0.0 114.836 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.46 -48.46 80.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.389 1.475 . . . . 0.0 113.545 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -70.6 -62.7 1.29 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.863 1.665 . . . . 0.0 114.728 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -78.03 -69.92 0.52 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.138 1.375 . . . . 0.0 112.712 -165.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.97 136.23 3.48 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 117.884 -1.526 . . . . 0.0 110.262 -149.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -85.08 134.06 34.21 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.738 1.615 . . . . 0.0 111.854 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 pttm . . . . . 0 N--CA 1.43 -1.437 0 O-C-N 121.162 -0.961 . . . . 0.0 109.316 -179.402 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 . . . . . 0 N--CA 1.43 -1.442 0 CA-C-O 123.594 1.664 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -104.71 150.38 24.78 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.043 1.737 . . . . 0.0 106.76 158.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.51 -6.94 33.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.986 -1.697 . . . . 0.0 114.636 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.46 -64.14 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 127.86 2.464 . . . . 0.0 114.026 155.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -39.71 -57.78 1.46 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 130.007 3.323 . . . . 0.0 113.679 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 m -54.79 -65.63 0.54 Allowed 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.481 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.75 -40.34 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.993 -1.692 . . . . 0.0 111.185 -167.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.416 1.086 . . . . 0.0 113.479 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.54 -43.57 72.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 168.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.92 -48.92 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 125.019 1.327 . . . . 0.0 111.204 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.9 mt -49.18 -54.19 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 C-N-CA 127.746 2.418 . . . . 0.0 111.98 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 m -51.23 -70.01 0.1 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 126.909 2.084 . . . . 0.0 115.379 170.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.29 -29.08 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -54.34 32.75 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.315 -1.491 . . . . 0.0 113.651 165.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -54.47 -50.23 68.23 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.38 -28.6 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.554 1.141 . . . . 0.0 112.534 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 26' ' ' ILE . 2.9 tm? -65.12 -59.88 3.63 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.743 -1.848 . . . . 0.0 113.928 164.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -76.9 -32.3 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -167.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -44.58 -65.33 0.53 Allowed 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -116.93 72.77 0.84 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.652 -1.28 . . . . 0.0 111.682 173.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -170.26 -98.54 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -121.59 130.58 53.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 126.551 1.941 . . . . 0.0 111.025 -176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -90.23 -14.91 32.42 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.158 1.783 . . . . 0.0 110.756 164.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.54 -25.96 67.67 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.26 -1.525 . . . . 0.0 113.074 -163.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.29 -49.48 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 128.077 2.551 . . . . 0.0 111.161 -175.589 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -61.66 -33.84 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 120.525 -1.359 . . . . 0.0 114.558 166.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.91 -49.45 77.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 120.474 1.488 . . . . 0.0 114.408 165.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -98.14 83.46 3.1 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.643 -1.911 . . . . 0.0 107.748 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -28.29 -44.21 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 131.417 3.887 . . . . 0.0 119.237 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.04 62.54 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.827 -1.171 . . . . 0.0 113.003 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -87.72 -17.53 31.52 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 124.704 1.202 . . . . 0.0 109.813 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.72 -67.49 0.26 Allowed 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.477 -2.64 . . . . 0.0 114.13 156.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mp -34.52 -53.01 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-O 126.17 2.89 . . . . 0.0 115.578 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.252 . . -81.99 -11.52 58.8 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 111.146 -2.752 . . . . 0.0 116.666 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.17 -48.54 73.1 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.048 -2.282 . . . . 0.0 110.756 156.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.42 ' HA ' HG13 ' A' ' 40' ' ' ILE . 26.7 mt -53.94 -25.11 18.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 175.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -68.14 -46.2 71.46 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 126.539 1.936 . . . . 0.0 113.613 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -54.2 -58.21 8.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.197 2.199 . . . . 0.0 114.33 157.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 37' ' ' LEU . 2.6 mt -51.4 -26.62 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 1 O-C-N 116.159 -4.088 . . . . 0.0 119.061 -170.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.06 1.95 28.33 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.891 -2.381 . . . . 0.0 115.791 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.18 117.55 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 C-N-CA 125.69 1.596 . . . . 0.0 113.135 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -124.43 141.83 51.78 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.644 -1.285 . . . . 0.0 110.9 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -115.62 -137.53 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.536 -1.353 . . . . 0.0 110.131 171.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -45.09 77.64 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 148.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.66 -26.23 2.76 Favored Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 127.475 2.464 . . . . 0.0 115.82 162.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -125.72 172.43 9.81 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.593 1.557 . . . . 0.0 107.835 -167.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -74.81 165.41 25.29 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.718 1.607 . . . . 0.0 110.482 172.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.83 127.4 34.56 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.74 1.216 . . . . 0.0 112.205 -161.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.04 -175.17 4.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.705 -1.872 . . . . 0.0 111.184 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.82 -46.42 8.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.319 -1.488 . . . . 0.0 109.895 173.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.12 -7.41 35.88 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.079 2.252 . . . . 0.0 117.079 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -76.6 -4.74 44.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.011 -1.681 . . . . 0.0 115.285 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . 0.257 1.4 p90 -21.67 -53.09 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 119.239 3.052 . . . . 0.0 119.239 154.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -53.9 -41.73 67.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.833 1.778 . . . . 0.0 115.415 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -69.69 -51.97 29.74 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.405 1.082 . . . . 0.0 111.681 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.2 -39.96 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.784 0.802 . . . . 0.0 110.125 -168.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 m -74.71 -19.02 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.968 2.107 . . . . 0.0 113.784 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.9 m -65.84 -51.88 55.21 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.506 -1.371 . . . . 0.0 111.597 164.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.27 -45.22 73.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.2 mt -52.17 95.82 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 118.987 -2.321 . . . . 0.0 117.182 153.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -168.7 1.45 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.642 2.777 . . . . 0.0 108.593 159.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -74.38 -32.11 62.62 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.104 -2.247 . . . . 0.0 113.927 -151.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.4 -54.88 6.69 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 128.216 2.606 . . . . 0.0 112.854 165.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.35 -46.05 61.42 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 127.86 2.464 . . . . 0.0 112.597 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -56.46 -53.44 57.44 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.879 1.672 . . . . 0.0 111.993 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -66.74 -26.91 67.22 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 121.072 -1.017 . . . . 0.0 112.102 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.5 m -72.63 -37.86 67.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.448 1.499 . . . . 0.0 112.183 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -57.2 6.47 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 126.736 2.014 . . . . 0.0 114.053 169.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 70' ' ' ILE . 55.2 mt -52.28 -48.15 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 130.725 3.61 . . . . 0.0 113.997 165.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.25 -50.17 75.04 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.173 -2.204 . . . . 0.0 113.119 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -85.18 -46.32 11.19 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -136.01 62.64 1.61 Allowed 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.37 -1.456 . . . . 0.0 113.136 -166.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -67.01 -27.78 67.71 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.348 -1.47 . . . . 0.0 114.427 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.66 -40.63 79.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.172 -1.58 . . . . 0.0 113.064 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.03 12.43 Favored Glycine 0 N--CA 1.43 -1.756 0 O-C-N 120.292 -1.505 . . . . 0.0 112.662 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -57.26 -56.67 18.83 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.91 1.684 . . . . 0.0 114.456 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -75.94 -20.39 57.99 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.134 -1.604 . . . . 0.0 112.372 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.45 -46.21 56.84 Favored Glycine 0 N--CA 1.429 -1.782 0 O-C-N 120.701 -1.249 . . . . 0.0 112.413 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 29.1 m -67.43 -39.0 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.209 175.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -58.03 -52.48 65.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.241 1.816 . . . . 0.0 113.64 174.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -63.37 -41.64 98.82 Favored 'General case' 0 N--CA 1.431 -1.386 0 O-C-N 119.85 -1.781 . . . . 0.0 113.115 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -46.06 87.72 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.752 -1.218 . . . . 0.0 111.232 171.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.14 -40.9 47.74 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.23 -2.169 . . . . 0.0 115.566 173.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.46 -21.44 60.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.277 -1.514 . . . . 0.0 110.163 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.0 tpt -91.18 -40.85 11.33 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.329 1.852 . . . . 0.0 115.29 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.308 14.8 p90 -94.21 -76.11 0.49 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 121.715 2.052 . . . . 0.0 109.396 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 t -164.33 125.19 2.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 123.263 2.756 . . . . 0.0 109.443 -176.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -86.7 84.23 7.42 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 124.143 1.925 . . . . 0.0 109.195 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.43 0 C-N-CA 129.337 3.055 . . . . 0.0 110.428 146.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -165.83 -165.69 0.85 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 155.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -90.17 -27.55 19.5 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.938 -1.101 . . . . 0.0 108.35 159.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.9 -55.5 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 125.616 1.567 . . . . 0.0 110.418 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -40.44 -59.97 1.21 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 160.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.0 m -56.18 -36.69 68.64 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -88.18 -36.04 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 O-C-N 119.753 -1.842 . . . . 0.0 109.554 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -75.67 -9.15 58.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.174 -2.204 . . . . 0.0 113.073 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.57 -57.51 8.93 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 121.959 2.163 . . . . 0.0 108.559 162.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.59 -49.32 6.42 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 CA-C-O 124.065 1.888 . . . . 0.0 114.862 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.38 -52.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 126.432 1.893 . . . . 0.0 110.806 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -61.02 -50.82 71.81 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.1 -1.625 . . . . 0.0 111.985 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.48 -9.92 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 119.805 -1.809 . . . . 0.0 112.577 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.09 -36.08 35.96 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.845 -1.159 . . . . 0.0 110.744 168.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -73.08 -46.57 50.76 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.463 1.905 . . . . 0.0 110.03 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.44 -36.16 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.176 1.391 . . . . 0.0 111.907 172.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.58 -62.57 1.72 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.627 -1.295 . . . . 0.0 114.269 170.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 83' ' ' TYR 0.265 12.0 pt -77.37 -36.94 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -162.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -49.42 -62.58 1.47 Allowed 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 123.879 1.799 . . . . 0.0 114.309 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -113.03 72.96 0.79 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.386 3.474 . . . . 0.0 107.34 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -171.64 -94.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.914 1.286 . . . . 0.0 108.642 150.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt-85 -129.18 152.55 48.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.542 -1.349 . . . . 0.0 112.758 -168.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.17 -21.82 24.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 123.908 1.814 . . . . 0.0 109.632 155.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -46.65 -21.37 0.19 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.978 2.955 . . . . 0.0 118.978 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.39 -51.37 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 O-C-N 118.683 -2.511 . . . . 0.0 112.853 166.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.349 16.2 m -67.64 -5.03 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 129.841 3.256 . . . . 0.0 115.777 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -72.56 -13.61 61.44 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 116.269 1.952 . . . . 0.0 116.269 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -144.27 150.51 38.01 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.0 -37.37 14.37 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.26 -2.15 . . . . 0.0 108.987 -150.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.94 33.73 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 159.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -57.74 -54.21 49.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.999 2.52 . . . . 0.0 114.978 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.26 -58.12 1.24 Allowed 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.254 2.222 . . . . 0.0 115.477 166.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.54 -40.97 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.9 3.28 . . . . 0.0 110.868 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.76 70.35 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 121.725 -0.61 . . . . 0.0 111.225 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -74.54 -35.43 63.11 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.88 -1.762 . . . . 0.0 110.799 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.53 -33.62 71.61 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.533 -2.605 . . . . 0.0 114.753 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.2 -53.87 47.6 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 126.958 2.103 . . . . 0.0 113.934 162.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -35.08 -55.7 0.6 Allowed 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 162.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -50.82 -40.17 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.63 29.13 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -58.22 131.15 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 121.46 2.63 . . . . 0.0 113.029 165.456 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -148.06 165.41 30.89 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.107 1.763 . . . . 0.0 108.297 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.335 0.6 OUTLIER -123.75 -143.4 0.32 Allowed 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 121.9 -0.5 . . . . 0.0 111.17 171.689 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.24 79.99 0.99 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.838 -1.789 . . . . 0.0 114.03 -173.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.88 -16.6 60.95 Favored Glycine 0 N--CA 1.43 -1.763 0 O-C-N 120.093 -1.629 . . . . 0.0 113.777 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -140.12 160.34 40.16 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 118.84 1.32 . . . . 0.0 108.205 -174.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.37 162.31 10.23 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.214 -2.179 . . . . 0.0 114.945 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 tp -34.44 122.67 0.51 Allowed 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 118.764 2.876 . . . . 0.0 118.764 146.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -111.5 -171.94 1.94 Allowed 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.798 -1.926 . . . . 0.0 105.798 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -78.07 -49.57 13.71 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-O 123.91 1.814 . . . . 0.0 108.371 167.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.32 -10.36 50.11 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.327 3.051 . . . . 0.0 116.179 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.8 p -71.46 3.57 3.73 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.34 1.856 . . . . 0.0 115.099 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.53 -49.41 54.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 128.166 2.587 . . . . 0.0 110.829 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -57.08 1.8 Allowed 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 127.494 2.318 . . . . 0.0 115.531 167.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -44.13 -72.49 0.06 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.157 2.183 . . . . 0.0 115.505 168.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.0 mt -46.92 -53.56 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 127.257 2.223 . . . . 0.0 112.934 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.26 -21.31 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.985 -1.697 . . . . 0.0 113.628 -168.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.1 p -75.27 -53.41 8.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.276 1.431 . . . . 0.0 111.286 172.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -44.05 -33.28 1.41 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.558 3.169 . . . . 0.0 119.558 166.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.43 120.72 22.05 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 120.214 1.37 . . . . 0.0 107.893 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -78.62 -157.24 0.11 Allowed 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.372 -1.455 . . . . 0.0 109.568 -175.008 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.455 ' H ' HG22 ' A' ' 62' ' ' THR . 42.9 mt-30 -83.71 -34.98 24.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 119.828 -1.795 . . . . 0.0 110.325 168.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -59.14 -51.4 70.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 122.829 1.3 . . . . 0.0 111.946 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.35 -47.87 65.83 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.257 3.023 . . . . 0.0 112.349 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -49.06 -50.07 38.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 124.14 1.924 . . . . 0.0 112.995 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -52.87 8.15 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.186 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 m -38.71 -55.12 1.51 Allowed 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 121.332 1.878 . . . . 0.0 113.847 168.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.63 -72.36 0.06 Allowed 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.63 -32.69 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-O 124.12 1.914 . . . . 0.0 106.572 -152.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.7 -39.08 27.73 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 130.351 3.46 . . . . 0.0 111.62 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.23 -46.0 68.45 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.534 -1.354 . . . . 0.0 111.574 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -136.41 99.9 4.22 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.15 0.976 . . . . 0.0 109.1 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -85.42 -37.79 19.4 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.434 1.494 . . . . 0.0 114.0 -173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.18 -47.74 45.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 127.414 2.286 . . . . 0.0 116.576 -167.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.57 -33.44 58.3 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.332 0.968 . . . . 0.0 113.851 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.53 -49.34 60.31 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 124.714 1.205 . . . . 0.0 111.332 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.6 -43.99 97.83 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.184 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.2 -41.95 62.06 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 126.181 1.848 . . . . 0.0 117.658 171.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.545 -1.562 . . . . 0.0 111.116 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.24 -42.11 85.64 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.666 -1.271 . . . . 0.0 112.454 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -65.44 -48.55 72.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.498 ' CE1' HD12 ' A' ' 19' ' ' ILE . 19.0 t80 -56.89 -49.55 75.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 124.598 1.159 . . . . 0.0 112.149 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.69 -31.32 70.59 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.687 1.595 . . . . 0.0 113.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.42 -20.87 33.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.56 -1.338 . . . . 0.0 112.617 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.5 mtm -95.13 -39.89 9.89 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 122.276 2.307 . . . . 0.0 112.69 168.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.98 -75.67 0.37 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.568 -1.332 . . . . 0.0 111.272 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -166.09 128.19 1.92 Allowed 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 116.926 -1.91 . . . . 0.0 109.816 -160.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -76.08 143.89 41.05 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.942 -1.724 . . . . 0.0 110.027 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 N--CA 1.431 -1.388 0 O-C-N 120.723 -1.235 . . . . 0.0 112.642 -157.826 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 m120 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -99.79 144.03 29.33 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 155.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.18 -27.59 0.42 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 168.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 65' ' ' ASP . 49.2 mt -68.44 -43.83 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 C-N-CA 127.077 2.151 . . . . 0.0 112.572 173.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.448 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 1.4 t70 -43.2 -62.73 0.96 Allowed 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.407 1.883 . . . . 0.0 114.438 158.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 120.579 1.536 . . . . 0.0 114.577 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 61' ' ' LEU . 74.4 t -87.77 -40.24 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 119.591 -1.943 . . . . 0.0 110.977 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 6' ' ' ASP . 17.7 ptt180 -69.95 -23.56 63.21 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.566 -1.959 . . . . 0.0 112.571 -176.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.92 -52.21 60.9 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 126.429 1.891 . . . . 0.0 113.2 166.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -45.24 -51.32 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 168.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.29 -59.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.432 3.093 . . . . 0.0 111.596 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -56.0 -52.56 63.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.763 1.625 . . . . 0.0 113.308 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -70.25 -46.39 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 O-C-N 120.817 -1.177 . . . . 0.0 111.192 -173.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.81 -53.7 5.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 171.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -72.66 -37.22 68.0 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.175 0.512 . . . . 0.0 109.647 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.51 -44.56 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.599 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -46.58 12.96 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 121.85 2.114 . . . . 0.0 110.62 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.325 6.1 pt -73.31 -38.1 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 119.801 -1.812 . . . . 0.0 115.579 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -51.83 67.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 115.279 -2.296 . . . . 0.0 115.568 -173.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -115.48 19.22 15.57 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 122.41 2.368 . . . . 0.0 116.214 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 t -126.77 -90.38 0.53 Allowed 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.325 -2.109 . . . . 0.0 111.846 158.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -116.88 119.76 36.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.696 -1.877 . . . . 0.0 113.35 -153.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.6 tt0 -88.22 -49.38 7.03 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 123.948 1.832 . . . . 0.0 112.931 -170.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -25.3 -46.06 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.424 4.69 . . . . 0.0 118.489 172.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.451 HD12 ' H ' ' A' ' 27' ' ' VAL . 2.3 pp -64.42 -40.64 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.638 -1.914 . . . . 0.0 115.696 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 24' ' ' GLU 0.385 4.6 p -68.46 -32.88 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.618 -1.301 . . . . 0.0 112.851 178.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -44.06 -36.13 2.41 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 170.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -138.09 107.94 6.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.88 2.072 . . . . 0.0 108.613 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -88.4 -21.41 24.3 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 118.46 -2.65 . . . . 0.0 112.487 -136.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -7.14 3.22 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 117.442 -3.286 . . . . 0.0 117.808 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.9 -22.42 20.91 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 118.268 -2.77 . . . . 0.0 110.785 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.56 -50.5 25.13 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 112.802 -1.999 . . . . 0.0 109.067 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -55.34 -55.55 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 125.139 1.376 . . . . 0.0 108.613 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.73 65.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.362 -1.462 . . . . 0.0 114.403 -165.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -82.29 -16.21 50.2 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 118.282 -2.761 . . . . 0.0 109.777 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.31 0.5 OUTLIER -82.03 -14.91 55.23 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.925 -1.109 . . . . 0.0 113.691 170.651 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.95 -19.21 23.52 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.323 -2.11 . . . . 0.0 112.273 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -40.26 -41.02 1.25 Allowed 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 155.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 127.481 2.313 . . . . 0.0 116.245 168.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.81 10.03 15.23 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 120.959 -1.088 . . . . 0.0 112.483 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.3 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 127.095 2.158 . . . . 0.0 112.406 160.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -120.42 151.46 39.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 164.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . 0.268 61.4 m80 -133.71 -134.72 0.17 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.866 174.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.47 78.2 0.56 Allowed 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -157.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.62 -21.63 43.57 Favored Glycine 0 N--CA 1.429 -1.769 0 O-C-N 119.271 -2.143 . . . . 0.0 111.45 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -142.38 173.58 11.4 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 123.756 0.822 . . . . 0.0 110.922 -153.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -63.91 178.93 0.57 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.825 -1.797 . . . . 0.0 110.929 151.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.95 157.7 29.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 117.544 -3.223 . . . . 0.0 111.293 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -112.07 177.25 4.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -76.86 -48.84 17.19 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.57 -23.96 53.57 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 130.99 3.716 . . . . 0.0 115.927 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -63.85 -7.94 9.53 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.003 -1.686 . . . . 0.0 114.202 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 6.3 t80 -71.49 -14.94 62.28 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.346 1.858 . . . . 0.0 113.281 -173.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER -58.46 -57.85 11.13 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 165.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -83.15 -7.82 59.58 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 127.321 2.248 . . . . 0.0 114.252 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 54' ' ' PHE . 28.7 mm -56.68 -78.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 136.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.4 -38.05 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 O-C-N 116.936 -3.603 . . . . 0.0 114.906 -153.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -51.58 62.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.039 2.136 . . . . 0.0 113.494 -169.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -40.97 -31.82 0.2 Allowed 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 169.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 8' ' ' VAL . 16.9 mt -75.28 150.37 38.55 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.466 1.507 . . . . 0.0 111.156 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -123.5 -156.73 0.72 Allowed 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.27 -1.518 . . . . 0.0 107.982 -156.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -81.86 -31.3 31.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.264 -1.523 . . . . 0.0 111.386 168.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -44.16 -53.54 6.4 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.705 2.002 . . . . 0.0 113.019 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HA ' HD11 ' A' ' 5' ' ' ILE . 3.5 t70 -50.14 -61.28 2.25 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.352 2.661 . . . . 0.0 110.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -36.57 -65.66 0.27 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.718 2.807 . . . . 0.0 115.351 -175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -85.47 -30.6 23.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.372 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -52.86 -52.25 58.04 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.452 1.933 . . . . 0.0 112.361 173.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 tp -54.24 -60.5 3.25 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.535 2.334 . . . . 0.0 112.295 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.2 -35.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 124.924 2.297 . . . . 0.0 105.917 -157.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.87 -47.09 82.06 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 131.283 3.833 . . . . 0.0 111.836 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -74.03 -45.39 49.94 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.83 -1.168 . . . . 0.0 112.1 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -135.79 100.9 4.59 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 121.323 -0.861 . . . . 0.0 112.157 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.17 -38.65 30.92 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -76.53 -42.81 41.8 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -154.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.59 90.35 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 120.561 -1.337 . . . . 0.0 114.465 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.02 -51.85 67.9 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.85 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.72 -32.89 74.48 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.29 -1.506 . . . . 0.0 113.037 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.22 82.7 Favored Glycine 0 N--CA 1.43 -1.723 0 C-N-CA 125.299 1.428 . . . . 0.0 115.727 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m -83.73 -36.58 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 120.975 -1.309 . . . . 0.0 110.083 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.51 -42.72 82.37 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.659 1.183 . . . . 0.0 113.139 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -57.83 -46.21 85.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.664 -1.273 . . . . 0.0 112.67 174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -40.6 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.865 -1.147 . . . . 0.0 112.537 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 tp -49.45 -47.53 48.21 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 121.23 1.832 . . . . 0.0 115.255 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.51 -35.59 80.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 123.937 0.895 . . . . 0.0 112.245 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.6 ttm -73.63 -45.44 52.89 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . 0.387 22.8 p90 -83.18 -72.91 0.43 Allowed 'General case' 0 N--CA 1.429 -1.507 0 O-C-N 120.511 -1.368 . . . . 0.0 113.347 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.83 132.34 1.79 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 121.745 2.066 . . . . 0.0 111.432 -169.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.39 141.43 28.59 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.535 -1.353 . . . . 0.0 109.142 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 tptp . . . . . 0 N--CA 1.43 -1.463 0 O-C-N 119.775 -1.828 . . . . 0.0 109.799 -172.382 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 122.06 0.933 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -113.85 150.05 34.15 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.624 -1.922 . . . . 0.0 106.812 157.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.98 -37.69 77.42 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.641 1.176 . . . . 0.0 112.355 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.27 -53.21 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 126.681 1.992 . . . . 0.0 111.154 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -36.85 -54.64 0.92 Allowed 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 128.863 2.865 . . . . 0.0 116.896 159.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 m -63.45 -51.81 64.1 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 111.664 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 11' ' ' ILE . 59.1 t -58.3 -46.26 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -37.68 88.18 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.748 -2.47 . . . . 0.0 112.332 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -58.93 -39.52 81.86 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 126.969 2.108 . . . . 0.0 114.938 169.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.557 HG12 ' HA ' ' A' ' 8' ' ' VAL . 19.6 mm -54.34 -50.89 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.47 -52.63 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 C-N-CA 125.647 1.579 . . . . 0.0 111.029 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -52.5 -61.69 2.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.521 2.328 . . . . 0.0 113.704 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -70.46 -36.68 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 123.787 0.835 . . . . 0.0 111.454 -166.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.84 29.84 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -59.12 -45.17 91.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.607 1.563 . . . . 0.0 111.703 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.7 pt -69.27 -20.12 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 18' ' ' LEU . 1.5 tt -82.48 -46.44 13.45 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 121.255 1.843 . . . . 0.0 111.31 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 29.6 pt -71.61 -33.04 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -174.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -38.78 -91.31 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 127.288 2.235 . . . . 0.0 116.685 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.77 18.63 17.72 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 123.558 2.89 . . . . 0.0 113.988 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -120.72 -81.56 0.64 Allowed 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.753 -1.217 . . . . 0.0 114.01 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -143.87 111.1 5.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.735 -1.228 . . . . 0.0 109.649 -164.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -87.37 -25.81 23.65 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.335 1.454 . . . . 0.0 112.581 -174.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -38.71 -37.37 0.33 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.102 2.961 . . . . 0.0 116.716 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -45.83 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 126.671 1.988 . . . . 0.0 112.754 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 1.5 p -75.21 -30.63 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 O-C-N 120.105 -1.622 . . . . 0.0 114.533 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.31 -37.65 75.51 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.148 1.779 . . . . 0.0 115.371 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -109.15 86.25 2.25 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' H ' ' HG2' ' A' ' 30' ' ' ARG . 14.9 mmt85 -41.63 -44.23 3.03 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 119.691 3.219 . . . . 0.0 119.691 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -19.74 65.97 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.163 -1.586 . . . . 0.0 114.274 -177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -81.32 -40.29 23.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.13 1.772 . . . . 0.0 110.617 173.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 27' ' ' VAL . 1.5 t80 -58.53 -56.08 26.77 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.743 1.217 . . . . 0.0 110.688 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.76 -56.11 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 O-C-N 119.774 -1.829 . . . . 0.0 111.184 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.95 -8.36 43.79 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -83.56 -30.95 26.63 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.922 -1.111 . . . . 0.0 110.504 165.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.26 -18.82 62.29 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.288 -2.758 . . . . 0.0 114.166 162.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -72.9 -46.36 53.14 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 118.048 -2.907 . . . . 0.0 111.016 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -37.46 -50.87 1.11 Allowed 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 164.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.97 -37.19 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.059 1.744 . . . . 0.0 112.843 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.49 43.54 0.89 Allowed Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 124.159 0.885 . . . . 0.0 112.001 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 133.93 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 CA-C-O 124.547 2.118 . . . . 0.0 113.856 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -143.86 170.17 16.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 128.458 2.703 . . . . 0.0 110.217 -152.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -145.94 -128.93 0.07 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.225 1.01 . . . . 0.0 110.601 179.532 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -75.68 77.15 2.66 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.951 1.301 . . . . 0.0 112.416 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.81 -24.02 6.26 Favored Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 125.118 1.342 . . . . 0.0 114.774 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -117.25 162.24 18.2 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.527 -1.572 . . . . 0.0 110.43 -166.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 69.6 mmtt -55.11 147.26 16.45 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.132 2.173 . . . . 0.0 111.528 164.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 tp -74.59 123.35 24.65 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 118.858 -2.401 . . . . 0.0 112.081 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.54 149.13 28.35 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 124.748 1.219 . . . . 0.0 113.009 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.19 -33.16 72.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.619 -1.301 . . . . 0.0 113.338 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -67.38 -16.12 64.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -82.59 22.94 0.83 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.01 -38.36 70.38 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -50.58 72.92 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.956 -1.715 . . . . 0.0 113.63 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -24.7 39.14 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.2 mt -87.07 -69.22 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 124.676 1.191 . . . . 0.0 112.149 162.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.14 -37.6 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 O-C-N 117.149 -3.47 . . . . 0.0 114.823 -151.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.254 6.3 p -81.04 -1.15 42.88 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -88.2 -15.19 36.64 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 120.023 -1.673 . . . . 0.0 111.782 167.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.66 124.09 31.81 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.186 1.394 . . . . 0.0 111.125 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -90.67 -177.29 4.97 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.812 -1.805 . . . . 0.0 109.673 178.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.409 ' H ' HG22 ' A' ' 62' ' ' THR . 86.8 mt-30 -61.75 -39.36 91.33 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.631 -1.918 . . . . 0.0 112.976 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.45 -60.82 1.02 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 128.862 2.865 . . . . 0.0 114.214 163.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.57 -45.88 77.83 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.967 2.107 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -52.45 50.72 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 127.302 2.241 . . . . 0.0 112.289 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -80.99 -33.0 34.05 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.86 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -52.38 -45.96 66.01 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 120.062 1.301 . . . . 0.0 112.973 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.39 -53.5 57.55 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.175 1.79 . . . . 0.0 112.305 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.92 -52.48 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 127.195 2.198 . . . . 0.0 113.278 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -56.03 16.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.025 2.13 . . . . 0.0 114.294 175.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -35.84 67.56 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.876 -1.14 . . . . 0.0 113.753 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -122.76 70.54 1.01 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 122.463 1.125 . . . . 0.0 111.382 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.77 -23.78 58.57 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.663 -1.898 . . . . 0.0 112.335 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.36 -40.25 77.7 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.213 1.805 . . . . 0.0 113.879 170.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.01 97.67 Favored Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 124.453 1.025 . . . . 0.0 114.237 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.18 -52.92 63.53 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 125.631 1.572 . . . . 0.0 111.867 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -43.8 -65.97 0.44 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 127.207 2.203 . . . . 0.0 114.911 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.2 -57.69 15.84 Favored Glycine 0 N--CA 1.43 -1.744 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.89 -22.0 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -62.23 -54.66 37.62 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.317 -1.489 . . . . 0.0 111.54 169.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -67.33 -38.1 84.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.889 -1.132 . . . . 0.0 113.594 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.3 t80 -61.88 -47.03 86.83 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.802 -1.186 . . . . 0.0 112.451 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.94 -42.19 98.83 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.365 -1.459 . . . . 0.0 113.537 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -47.81 84.09 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 121.411 -0.806 . . . . 0.0 112.428 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 95.7 mmm -80.67 -41.1 24.32 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -97.77 -74.18 0.59 Allowed 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.674 -1.266 . . . . 0.0 113.507 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 t -168.19 167.4 12.31 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.471 -1.393 . . . . 0.0 110.234 -153.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -99.52 132.37 44.9 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.933 -1.104 . . . . 0.0 110.799 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt . . . . . 0 N--CA 1.43 -1.447 0 O-C-N 120.353 -1.467 . . . . 0.0 110.072 174.005 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 N--CA 1.429 -1.479 0 CA-C-O 123.786 1.755 . . . . 0.0 107.141 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -151.4 -86.03 0.07 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 131.449 3.899 . . . . 0.0 108.825 -163.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -86.59 -36.48 18.85 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.185 -1.572 . . . . 0.0 111.135 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.267 0.0 OUTLIER -68.27 -27.93 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 119.92 1.236 . . . . 0.0 113.879 176.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -45.93 -63.4 0.98 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 153.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -51.83 -56.86 11.45 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.983 1.713 . . . . 0.0 114.253 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -48.19 -57.93 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.404 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 167.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.39 -34.28 73.68 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.489 -2.007 . . . . 0.0 113.524 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.42 -44.03 88.93 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 170.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.7 -32.04 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 125.314 1.446 . . . . 0.0 111.517 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -36.76 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 O-C-N 120.532 -1.355 . . . . 0.0 109.565 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -65.12 -57.7 7.91 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.765 1.626 . . . . 0.0 111.31 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.47 -29.86 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.83 51.95 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.343 -1.473 . . . . 0.0 113.76 172.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -70.88 -40.44 72.25 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.743 -1.848 . . . . 0.0 112.236 170.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.01 -53.91 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 127.088 2.155 . . . . 0.0 112.378 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -36.78 -64.65 0.33 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 128.053 2.541 . . . . 0.0 116.363 164.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 83' ' ' TYR . 23.0 pt -77.53 -31.55 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.392 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -173.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -49.58 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.179 1.391 . . . . 0.0 113.98 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -112.87 18.39 18.21 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -124.46 -83.3 0.65 Allowed 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.112 -1.618 . . . . 0.0 111.813 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -142.74 119.98 11.52 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.566 1.174 . . . . 0.0 113.376 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.9 -19.95 28.11 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.544 1.537 . . . . 0.0 109.985 171.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -59.64 -29.92 68.37 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-O 125.218 2.437 . . . . 0.0 113.272 -170.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.15 -30.74 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 128.465 2.706 . . . . 0.0 109.285 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -25.99 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 126.189 1.796 . . . . 0.0 112.341 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.33 1.38 11.7 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.974 -1.704 . . . . 0.0 113.868 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.01 97.25 3.27 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.804 1.242 . . . . 0.0 107.893 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -15.92 63.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.657 -1.902 . . . . 0.0 115.513 -167.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.49 -40.86 49.05 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.248 -1.533 . . . . 0.0 112.319 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.32 -52.68 57.27 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.387 -1.446 . . . . 0.0 111.985 169.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -37.91 -47.76 1.09 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -80.55 -36.56 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.032 1.733 . . . . 0.0 109.555 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.09 74.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 111.641 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.33 -46.93 82.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.056 -1.652 . . . . 0.0 113.244 166.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.316 0.8 OUTLIER -71.94 -10.05 59.23 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 177.717 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.29 -35.54 58.82 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.763 -1.836 . . . . 0.0 111.516 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.62 -42.96 3.61 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.235 2.214 . . . . 0.0 116.372 161.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -50.2 -33.56 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 O-C-N 119.458 -2.026 . . . . 0.0 116.41 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.41 34.09 2.17 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.476 -1.39 . . . . 0.0 112.81 -168.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.92 103.62 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 120.898 -1.354 . . . . 0.0 111.462 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -124.41 138.67 54.34 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.751 1.62 . . . . 0.0 108.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 46.3 p-80 -108.88 -131.43 0.31 Allowed 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 116.744 -1.598 . . . . 0.0 107.173 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.523 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 2.0 mp0 -63.0 78.9 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 121.545 1.975 . . . . 0.0 115.395 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.39 -28.13 1.02 Allowed Glycine 0 N--CA 1.43 -1.705 0 O-C-N 119.111 -2.243 . . . . 0.0 117.091 -169.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -115.99 170.88 8.15 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.037 1.335 . . . . 0.0 112.972 -158.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 65.4 mmtt -77.93 164.13 25.39 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 129.627 3.171 . . . . 0.0 110.021 -177.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 tp -93.94 128.43 40.24 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.259 -2.15 . . . . 0.0 112.044 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -87.6 160.13 18.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.197 1.799 . . . . 0.0 112.746 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -92.92 -4.06 53.45 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.728 -1.233 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -107.67 -7.47 16.41 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.258 1.423 . . . . 0.0 113.715 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.9 p -89.67 15.73 9.08 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -44.75 -52.51 8.31 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.782 2.033 . . . . 0.0 114.644 163.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.49 -42.62 4.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -95.15 -15.81 23.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.711 1.204 . . . . 0.0 111.708 -176.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.86 -52.54 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 O-C-N 119.56 -1.963 . . . . 0.0 109.345 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.07 -37.77 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.78 -1.2 . . . . 0.0 113.289 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -50.55 -27.94 7.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 171.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.37 -16.25 16.28 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 118.786 -2.446 . . . . 0.0 114.358 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.28 100.64 0.48 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 126.531 1.932 . . . . 0.0 112.025 163.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.5 p -84.11 -166.64 1.48 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -70.63 -40.04 73.36 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 117.817 -3.052 . . . . 0.0 115.723 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -34.85 -58.04 0.52 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 118.092 2.627 . . . . 0.0 118.092 155.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -48.31 76.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 127.426 2.29 . . . . 0.0 111.363 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -49.49 -56.37 10.02 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.832 1.653 . . . . 0.0 112.464 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -58.72 -45.71 88.99 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.344 -1.472 . . . . 0.0 113.614 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.5 m -53.87 -45.49 71.02 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 129.282 3.033 . . . . 0.0 115.71 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.08 -65.19 0.64 Allowed 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.828 1.775 . . . . 0.0 114.792 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mm -47.75 -65.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.453 1 C-N-CA 133.557 4.743 . . . . 0.0 112.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.32 -50.65 72.09 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.862 2.465 . . . . 0.0 116.87 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.99 -45.88 47.22 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 119.218 0.917 . . . . 0.0 112.464 -172.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.05 79.24 1.82 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-O 122.233 1.016 . . . . 0.0 111.309 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 126.015 1.726 . . . . 0.0 114.086 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.39 -47.62 78.59 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.031 2.132 . . . . 0.0 116.438 -171.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.31 54.03 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 120.707 -1.246 . . . . 0.0 112.336 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.21 -46.58 83.27 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.363 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.08 -37.69 77.69 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.308 -1.495 . . . . 0.0 114.013 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.07 -25.82 47.21 Favored Glycine 0 N--CA 1.43 -1.729 0 O-C-N 119.943 -1.723 . . . . 0.0 112.949 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.316 1.7 p -80.98 -32.41 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 O-C-N 122.181 -0.599 . . . . 0.0 110.324 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -41.59 98.18 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 120.143 1.338 . . . . 0.0 114.126 173.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -61.98 -44.06 97.53 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 120.321 -1.487 . . . . 0.0 114.103 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CD1' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -68.66 -32.17 71.82 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.505 -1.372 . . . . 0.0 113.167 176.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.45 -39.7 81.36 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.113 2.165 . . . . 0.0 114.083 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.85 -45.12 71.91 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 120.36 -1.462 . . . . 0.0 112.578 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.2 ttm -56.83 -53.95 51.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -113.63 -9.41 13.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 128.532 2.733 . . . . 0.0 116.675 -165.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 0.5 OUTLIER 90.71 -46.51 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 122.199 2.272 . . . . 0.0 113.876 150.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -96.78 127.51 42.83 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.054 -1.654 . . . . 0.0 109.065 171.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt . . . . . 0 N--CA 1.43 -1.446 0 C-N-CA 124.649 1.179 . . . . 0.0 112.645 -169.628 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 N--CA 1.43 -1.469 0 CA-C-O 122.072 0.939 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -147.25 176.3 10.09 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.262 1.825 . . . . 0.0 106.393 -173.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.07 19.76 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 -170.222 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.454 HG13 ' H ' ' A' ' 5' ' ' ILE . 42.3 mt -33.66 -62.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 128.332 2.653 . . . . 0.0 116.321 147.164 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.3 t70 -49.02 -57.64 6.22 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.553 1.941 . . . . 0.0 116.231 170.115 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -61.2 -30.95 70.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.481 -2.012 . . . . 0.0 114.006 -177.158 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 61' ' ' LEU . 72.8 t -82.76 -48.56 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 C-N-CA 127.434 2.293 . . . . 0.0 114.096 176.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 20.4 ptt180 -61.53 -18.21 58.14 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 118.996 -2.315 . . . . 0.0 114.01 170.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' OE1' ' HE1' ' A' ' 44' ' ' HIS . 33.8 tt0 -69.98 -58.71 3.53 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.921 1.289 . . . . 0.0 110.481 167.309 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -42.48 -50.36 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 C-N-CA 126.499 1.92 . . . . 0.0 115.508 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -79.75 -55.48 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 120.208 -1.558 . . . . 0.0 110.785 -172.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.5 m -56.07 -52.49 64.11 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.389 1.476 . . . . 0.0 113.144 -176.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.57 -44.29 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 CA-C-N 118.509 0.595 . . . . 0.0 110.154 -174.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.63 64.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 167.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.7 m -65.14 -41.91 94.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.716 1.207 . . . . 0.0 112.337 -176.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.27 -49.74 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.369 1.867 . . . . 0.0 112.352 173.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -84.25 -47.39 10.85 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.821 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.608 HD12 ' CE1' ' A' ' 83' ' ' TYR . 21.5 pt -61.85 -31.08 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 CA-C-N 122.537 2.426 . . . . 0.0 115.71 -173.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.07 -71.66 0.06 Allowed 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 162.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -115.3 15.64 16.89 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.252 1.501 . . . . 0.0 112.184 -173.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -108.81 -72.14 0.73 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.064 -1.023 . . . . 0.0 111.526 176.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 127.54 0.33 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 123.44 1.591 . . . . 0.0 112.886 -153.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.79 -39.42 15.94 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 130.983 3.713 . . . . 0.0 110.829 173.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -24.07 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 128.803 2.841 . . . . 0.0 118.578 165.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.77 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 C-N-CA 126.673 1.989 . . . . 0.0 112.482 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.371 9.1 m -59.45 -42.79 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.389 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -42.45 -33.33 0.65 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 177.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.45 83.96 2.22 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 169.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.256 14.1 mtm180 -25.99 -45.1 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.451 1 N-CA-C 123.799 4.74 . . . . 0.0 123.799 177.205 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.02 17.21 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 122.969 2.622 . . . . 0.0 116.729 174.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -89.89 -42.15 11.39 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.055 -1.653 . . . . 0.0 108.286 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -40.15 -49.12 2.61 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 119.956 3.317 . . . . 0.0 119.956 158.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -69.85 -45.8 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 126.899 2.08 . . . . 0.0 106.029 -175.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -14.57 62.72 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 117.995 -2.941 . . . . 0.0 115.62 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.6 -14.34 54.97 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 123.824 3.011 . . . . 0.0 106.921 175.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.18 -21.88 39.32 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.297 -1.502 . . . . 0.0 110.082 170.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -84.02 -9.87 58.32 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.233 -2.167 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.15 -52.47 23.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 125.892 1.677 . . . . 0.0 114.082 160.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -46.82 -36.86 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 173.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.48 42.84 6.37 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-O 119.311 -0.716 . . . . 0.0 113.91 -171.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -90.0 119.09 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 143.49 43.96 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.236 -1.54 . . . . 0.0 109.223 -168.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.447 ' HE1' ' OE1' ' A' ' 10' ' ' GLU 0.252 30.5 m80 -117.55 -112.49 0.34 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 119.809 1.186 . . . . 0.0 110.833 177.379 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.9 67.91 4.73 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.988 -1.07 . . . . 0.0 112.65 -166.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.11 -24.99 4.38 Favored Glycine 0 N--CA 1.429 -1.812 0 O-C-N 118.692 -2.505 . . . . 0.0 114.788 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -132.04 134.29 45.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.947 -1.326 . . . . 0.0 111.587 -153.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -44.71 124.86 4.54 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 126.799 2.039 . . . . 0.0 114.282 163.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.53 111.52 10.92 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.488 -2.008 . . . . 0.0 111.554 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -90.22 179.07 6.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.669 1.588 . . . . 0.0 110.135 173.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.68 -35.35 70.27 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 124.957 2.313 . . . . 0.0 109.255 -166.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -58.08 -25.86 61.83 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.934 4.094 . . . . 0.0 114.498 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -68.0 -12.38 60.66 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.717 -1.239 . . . . 0.0 113.758 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.6 -14.4 62.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.97 -1.706 . . . . 0.0 115.312 -177.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -69.2 -49.05 60.12 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.174 -1.578 . . . . 0.0 110.662 173.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.15 -49.27 32.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.509 2.724 . . . . 0.0 114.844 168.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.59 -75.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 128.004 2.522 . . . . 0.0 112.68 164.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.44 -21.71 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 122.007 2.185 . . . . 0.0 116.33 -155.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -88.2 -34.55 17.75 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.909 1.684 . . . . 0.0 113.986 175.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -84.04 6.98 20.04 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.404 -2.06 . . . . 0.0 115.54 169.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD11 HG21 ' A' ' 8' ' ' VAL . 96.2 mt -89.17 132.17 34.96 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.34 -1.475 . . . . 0.0 108.188 146.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -114.97 -158.2 0.66 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.827 1.651 . . . . 0.0 106.763 -166.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -73.93 -47.57 36.79 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 162.003 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.73 -34.72 76.09 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.977 -1.702 . . . . 0.0 111.657 -166.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.85 -50.64 72.62 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 127.142 2.177 . . . . 0.0 112.189 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -44.35 -47.3 9.63 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.742 2.417 . . . . 0.0 114.376 173.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -74.22 -55.87 5.55 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 121.259 -0.901 . . . . 0.0 112.95 -176.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.9 m -37.42 -46.81 0.82 Allowed 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 130.444 3.497 . . . . 0.0 115.457 163.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.24 -63.18 1.18 Allowed 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 169.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.36 -42.5 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 128.254 2.622 . . . . 0.0 110.651 -165.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.68 -27.02 67.33 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 131.567 3.947 . . . . 0.0 111.874 -171.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.15 -47.16 9.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.155 -0.965 . . . . 0.0 112.567 174.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -126.56 86.55 2.53 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -175.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.84 -29.33 23.83 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.243 1.017 . . . . 0.0 110.334 178.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.73 -51.71 67.77 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.483 1.513 . . . . 0.0 113.144 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.64 -25.49 75.47 Favored Glycine 0 N--CA 1.43 -1.703 0 O-C-N 120.854 -1.154 . . . . 0.0 115.415 173.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -65.94 -50.47 64.26 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.279 1.432 . . . . 0.0 111.022 175.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.02 -50.25 74.46 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.978 -1.077 . . . . 0.0 111.295 168.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.08 -35.74 8.76 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 118.241 2.056 . . . . 0.0 118.241 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.01 -22.19 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 119.559 -2.142 . . . . 0.0 110.455 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -70.31 -33.43 71.53 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.75 -1.844 . . . . 0.0 111.362 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.192 1.397 . . . . 0.0 112.489 168.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 19' ' ' ILE . 4.6 t80 -66.64 -39.27 88.17 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.574 -1.329 . . . . 0.0 112.897 172.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.4 -53.71 55.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.837 1.655 . . . . 0.0 114.628 177.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.14 -33.52 70.14 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.174 0.99 . . . . 0.0 111.865 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 ttt -68.17 -52.49 33.93 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 169.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -105.87 -73.08 0.69 Allowed 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.646 -1.908 . . . . 0.0 116.118 -169.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 t -163.35 141.88 8.07 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.104 -141.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -111.61 105.13 13.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.665 -1.897 . . . . 0.0 113.692 177.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.43 -1.471 0 C-N-CA 124.974 1.31 . . . . 0.0 109.953 154.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.42 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -140.37 95.36 2.86 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 143.066 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.95 -8.91 53.26 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 178.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -82.01 -50.29 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 126.632 1.973 . . . . 0.0 108.743 -176.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.47 70.04 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.489 1.516 . . . . 0.0 112.44 168.352 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.5 m -57.09 -36.72 70.94 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 169.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.08 -41.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 118.986 -2.321 . . . . 0.0 111.114 -174.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -12.87 60.25 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.76 -1.837 . . . . 0.0 112.831 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.59 -50.49 58.03 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.549 -1.344 . . . . 0.0 111.704 161.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.06 -49.42 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 C-N-CA 125.376 1.47 . . . . 0.0 113.659 174.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.02 -38.43 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 124.998 1.319 . . . . 0.0 112.164 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -59.17 -62.59 1.77 Allowed 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.723 -1.236 . . . . 0.0 111.364 171.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 m -71.54 -12.34 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.995 -1.691 . . . . 0.0 114.471 -171.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.4 -34.62 17.49 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.094 0.958 . . . . 0.0 111.176 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -84.85 -33.97 22.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.865 -1.147 . . . . 0.0 110.598 -178.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.62 -21.99 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.601 -1.312 . . . . 0.0 110.901 170.091 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -64.53 -71.2 0.19 Allowed 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.473 -2.017 . . . . 0.0 114.542 166.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 83' ' ' TYR . 18.3 pt -70.79 -36.29 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -160.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -38.97 -64.09 0.48 Allowed 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 127.474 2.31 . . . . 0.0 115.196 -178.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -110.61 43.84 1.35 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.028 1.731 . . . . 0.0 113.039 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.5 m -135.72 -96.05 0.24 Allowed 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.224 -1.547 . . . . 0.0 113.016 173.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.06 143.71 29.57 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 124.895 1.278 . . . . 0.0 107.667 -172.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.51 -34.74 60.83 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 125.011 2.338 . . . . 0.0 111.716 172.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.05 -24.08 2.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.978 2.911 . . . . 0.0 116.522 -162.209 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -69.76 -46.91 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 118.971 -2.33 . . . . 0.0 112.902 170.746 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.43 -8.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 126.627 1.971 . . . . 0.0 113.441 176.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.59 -24.99 66.41 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -128.13 136.91 51.8 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 160.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -76.94 -19.61 57.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 125.343 3.701 . . . . 0.0 114.799 -174.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.53 1.12 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.374 1.47 . . . . 0.0 114.808 169.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -35.7 -47.17 0.47 Allowed 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 121.55 3.907 . . . . 0.0 121.55 155.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' HG22 ' A' ' 26' ' ' ILE . 4.9 t80 -58.21 -55.0 40.68 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.833 2.053 . . . . 0.0 112.497 176.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.1 mt -61.24 -41.66 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 126.52 1.928 . . . . 0.0 110.62 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.75 90.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.844 0.83 . . . . 0.0 110.162 -176.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.03 -34.88 22.8 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 159.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.91 -13.86 60.97 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 117.135 -3.478 . . . . 0.0 114.421 173.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -75.63 -39.6 57.53 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 118.961 -2.337 . . . . 0.0 112.837 169.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -44.88 -30.32 0.97 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 120.524 3.527 . . . . 0.0 120.524 154.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.76 -23.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.504 -1.997 . . . . 0.0 110.504 169.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.09 42.8 4.88 Favored Glycine 0 N--CA 1.43 -1.732 0 O-C-N 119.054 -2.279 . . . . 0.0 111.967 164.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.27 114.84 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 126.13 1.772 . . . . 0.0 112.472 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.8 p -99.51 149.5 23.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.021 -2.299 . . . . 0.0 115.357 -157.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HE1' ' HB2' ' A' ' 47' ' ' ARG . 2.3 p-80 -131.63 -176.72 4.13 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 163.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -45.88 92.88 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 -27.34 6.85 Favored Glycine 0 N--CA 1.429 -1.772 0 C-N-CA 126.84 2.162 . . . . 0.0 116.772 175.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB2' ' HE1' ' A' ' 44' ' ' HIS . 65.6 mtt180 -135.12 172.19 13.36 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 119.502 1.651 . . . . 0.0 110.556 -168.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 174.71 11.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.471 -2.018 . . . . 0.0 108.316 171.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -97.85 122.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.773 -1.83 . . . . 0.0 112.903 -168.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -96.13 179.93 4.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.967 1.307 . . . . 0.0 109.76 172.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -72.32 -55.03 7.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.573 -1.954 . . . . 0.0 110.022 -163.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -36.31 -37.36 0.12 Allowed 'General case' 0 N--CA 1.43 -1.465 1 C-N-CA 132.688 4.395 . . . . 0.0 118.01 -178.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -85.21 15.29 4.35 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.461 -2.025 . . . . 0.0 114.787 -174.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -54.98 -34.6 63.49 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.473 1.909 . . . . 0.0 113.522 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -32.47 -68.98 0.09 Allowed 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.688 2.106 . . . . 0.0 116.688 153.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -84.88 -9.27 58.29 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.993 -1.692 . . . . 0.0 115.079 -171.862 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -45.73 -67.77 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 120.236 -1.54 . . . . 0.0 115.042 148.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.56 -32.56 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -165.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -48.67 -45.48 38.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.713 2.005 . . . . 0.0 115.004 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -66.69 -13.66 61.55 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.56 147.11 27.97 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 122.995 1.379 . . . . 0.0 113.299 -168.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.4 m -124.08 151.51 43.77 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 128.315 2.646 . . . . 0.0 107.351 -176.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -25.07 -31.4 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 132.932 4.493 . . . . 0.0 120.927 176.063 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -33.52 -53.49 0.42 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.725 2.81 . . . . 0.0 113.211 161.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -50.65 -54.08 25.8 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 129.383 3.073 . . . . 0.0 113.645 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -57.28 -45.57 83.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.695 1.998 . . . . 0.0 111.092 -164.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.54 -40.7 18.81 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.253 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.6 m -52.51 -51.23 60.54 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.516 1.526 . . . . 0.0 113.789 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.87 -60.21 3.97 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.33 1.452 . . . . 0.0 112.638 175.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.71 -32.51 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 120.695 -1.253 . . . . 0.0 112.468 -169.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.81 -45.22 67.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.107 -1.62 . . . . 0.0 115.192 171.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -73.93 -46.72 42.5 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.012 -1.68 . . . . 0.0 112.328 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -107.71 26.43 10.31 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.327 1.451 . . . . 0.0 112.882 -157.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -49.06 -53.37 20.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.36 2.264 . . . . 0.0 113.597 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 124.335 1.054 . . . . 0.0 113.518 179.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.57 89.7 Favored Glycine 0 N--CA 1.431 -1.691 0 C-N-CA 124.939 1.257 . . . . 0.0 113.911 177.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -65.97 -51.92 54.16 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.461 1.904 . . . . 0.0 112.046 175.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.15 -39.96 88.21 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 178.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.19 -57.37 17.09 Favored Glycine 0 N--CA 1.431 -1.698 0 C-N-CA 124.361 0.981 . . . . 0.0 113.571 175.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.04 -32.18 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.309 -1.701 . . . . 0.0 115.386 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -53.3 -45.3 68.91 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 125.221 1.409 . . . . 0.0 112.165 172.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.62 -28.75 66.19 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 19' ' ' ILE . 11.5 t80 -66.14 -44.43 84.22 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.543 -1.973 . . . . 0.0 110.583 170.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.79 -38.44 91.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.573 1.549 . . . . 0.0 113.023 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.81 -45.91 80.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.564 -1.335 . . . . 0.0 112.344 172.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.6 mmt -79.23 -39.55 32.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 120.037 1.29 . . . . 0.0 114.097 -174.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.6 -69.95 0.72 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 121.725 2.057 . . . . 0.0 112.888 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.56 145.39 4.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.731 -157.123 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -110.33 86.58 2.33 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 124.119 0.968 . . . . 0.0 109.393 -173.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -170.514 . . . . . . . . 0 0 . 1 stop_ save_